*HEADER    ELECTRON TRANSPORT                      17-JAN-05   1YKA              
*TITLE     SOLUTION STRUCTURE OF GRX4, A MONOTHIOL GLUTAREDOXIN FROM             
*TITLE    2 E. COLI.                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MONOTHIOL GLUTAREDOXIN YDHD;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MONOTHIOL GLUTAREDOXIN;                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: YDHD;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)GRXA-GRXB-GRXC-;                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-15B                                   
*KEYWDS    MIXED ALPHA/BETA FOLD, THIOREDOXIN FOLD                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.FLADVAD, M.BELLANDA, A.POTAMITOU FERNANDES, C.ANDRESEN,             
*AUTHOR   2 S.MAMMI, A.HOLMGREN, A.VLAMIS-GARDIKAS, M.SUNNERHAGEN                
*REVDAT   1   26-APR-05 1YKA    0                                                

ambig1


 ASSI { 4098}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 75   and name HD1 ))
      2.700     0.900     0.900 peak  4098 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      6.935 ppm2      7.298 CV     1
 OR { 4098}
   (  segid "    " and resid 20   and name HD% )
   (  segid "    " and resid 71   and name HD% )
 ASSI { 3975}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     2.800     3.200 peak  3975 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.858 ppm2      7.253 CV     1
 OR { 3975}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HH2 ))
 ASSI { 4096}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 71   and name HD% )
      2.600     0.800     0.800 peak  4096 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      2.833 ppm2      7.284 CV     1
 OR { 4096}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD% )
 ASSI { 2206}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.531 ppm2      7.530 CV     1
 OR { 2206}
   (( segid "    " and resid 108  and name HG2 ))
   (( segid "    " and resid 108  and name HN  ))
 OR { 2206}
   (( segid "    " and resid 108  and name HG3 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 3262}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  3262 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.112 ppm2      7.035 CV     1
 OR { 3262}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 3263}
   (  segid "    " and resid 48   and name HB% )
   (  segid "    " and resid 49   and name HD% )
      3.100     1.200     1.200 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.300 ppm2      6.918 CV     1
 OR { 3263}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 ASSI { 3275}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 92   and name HN  ))
      2.900     1.100     1.100 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      0.980 ppm2      8.759 CV     1
 OR { 3275}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 3288}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     0.900     0.900 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      4.550 ppm2      7.036 CV     1
 OR { 3288}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 OR { 3288}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 3293}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.100     1.100 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      4.610 ppm2      9.094 CV     1
 OR { 3293}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 3293}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 3311}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.860 ppm2      8.706 CV     1
 OR { 3311}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 3311}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HD22))
 OR { 3311}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 15   and name HD22))
 ASSI { 3320}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.868 ppm2      7.827 CV     1
 OR { 3320}
   (( segid "    " and resid 63   and name HD3 ))
   (( segid "    " and resid 61   and name HN  ))
 OR { 3320}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 3326}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 65   and name HE% )
      2.900     1.100     1.100 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.464 ppm2      6.660 CV     1
 OR { 3326}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 65   and name HE% )
 ASSI { 3372}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HE22))
      2.900     1.000     1.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.028 ppm2      7.395 CV     1
 OR { 3372}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 75   and name HZ2 ))
 ASSI { 3381}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HE21))
      3.100     1.200     1.200 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.794 ppm2      6.791 CV     1
 OR { 3381}
   (( segid "    " and resid 106  and name HG2 ))
   (  segid "    " and resid 107  and name HE% )
 ASSI { 3436}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 71   and name HD% )
      2.900     1.100     1.100 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.755 ppm2      7.296 CV     1
 OR { 3436}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HD1 ))
 OR { 3436}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 64   and name HN  ))
 OR { 3436}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 107  and name HD% )
 OR { 3436}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 75   and name HD1 ))
 ASSI { 3407}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 75   and name HE3 ))
      3.000     1.100     1.100 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.910 ppm2      7.036 CV     1
 OR { 3407}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
 OR { 3407}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HE3 ))
 OR { 3407}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 4084}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.700     0.900     0.900 peak  4084 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.546 ppm2      8.440 CV     1
 OR { 4084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 3440}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 91   and name HN  ))
      3.300     1.300     1.300 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.885 ppm2      8.769 CV     1
 OR { 3440}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 3497}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  3497 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.204 ppm2      8.307 CV     1
 OR { 3497}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 3448}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 49   and name HD% )
      3.000     1.100     1.100 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.411 ppm2      6.911 CV     1
 OR { 3448}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 20   and name HD% )
 ASSI { 3872}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.100     1.200     1.200 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.23274E-02 ppm1      2.327 ppm2      9.107 CV     1
 OR { 3872}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 62   and name HN  ))
 OR { 3872}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 3477}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     2.800     3.200 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.939 ppm2      9.111 CV     1
 OR { 3477}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 3477}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 3477}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 3477}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3494}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 91   and name HN  ))
      2.800     1.000     1.000 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      0.840 ppm2      8.769 CV     1
 OR { 3494}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 91   and name HN  ))
 OR { 3494}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 3509}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HE22))
      2.900     1.100     1.100 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.340 ppm2      7.386 CV     1
 OR { 3509}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HD21))
 OR { 3509}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 15   and name HD21))
 ASSI { 3558}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 75   and name HD1 ))
      2.900     1.100     1.100 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      6.331 ppm2      7.292 CV     1
 OR { 3558}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
 OR { 3558}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 71   and name HD% )
 ASSI { 3515}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 103  and name HN  ))
      2.800     1.000     1.000 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      0.910 ppm2      8.182 CV     1
 OR { 3515}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
 OR { 3515}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 3580}
   (( segid "    " and resid 62   and name HG  ))
   (( segid "    " and resid 75   and name HE1 ))
      3.000     3.000     3.000 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.23484E-02 ppm1      1.578 ppm2      9.998 CV     1
 OR { 3580}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 75   and name HE1 ))
 OR { 3580}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 75   and name HE1 ))
 OR { 3580}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 75   and name HE1 ))
 ASSI { 3732}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HD21))
      2.900     2.900     3.100 peak  3732 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      8.034 ppm2      7.400 CV     1
 OR { 3732}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 75   and name HZ2 ))
 OR { 3732}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HD21))
 OR { 3732}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HE  ))
 ASSI { 3534}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      2.800     1.000     1.000 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      9.093 ppm2      7.285 CV     1
 OR { 3534}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
 OR { 3534}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
 OR { 3534}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
 ASSI { 3539}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      7.295 ppm2      9.086 CV     1
 OR { 3539}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 3545}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      3.000     1.100     1.100 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.652 ppm2      6.789 CV     1
 OR { 3545}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HE% )
 ASSI { 3546}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 65   and name HD% )
      3.200     1.300     1.300 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.469 ppm2      6.969 CV     1
 OR { 3546}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 65   and name HD% )
 ASSI { 3552}
   (( segid "    " and resid 88   and name HG12))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.100     1.100 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.509 ppm2      8.044 CV     1
 OR { 3552}
   (( segid "    " and resid 88   and name HG12))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 3582}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HD22))
      2.800     1.000     1.000 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.720 ppm2      8.704 CV     1
 OR { 3582}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 3582}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 3586}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.536 ppm2      7.772 CV     1
 OR { 3586}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HE22))
 ASSI { 3591}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 55   and name HD22))
      2.800     1.000     1.000 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.915 ppm2      7.530 CV     1
 OR { 3591}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 68   and name HZ2 ))
 ASSI { 2451}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      1.870 ppm2      6.973 CV     1
 OR { 2451}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
 OR { 2451}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3622}
   (  segid "    " and resid 96   and name HD2%)
   (  segid "    " and resid 91   and name HE% )
      2.500     2.500     3.500 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      0.840 ppm2      6.757 CV     1
 OR { 3622}
   (  segid "    " and resid 96   and name HD1%)
   (  segid "    " and resid 91   and name HE% )
 OR { 3622}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 38   and name HE21))
 OR { 3622}
   (  segid "    " and resid 87   and name HG2%)
   (  segid "    " and resid 91   and name HE% )
 OR { 3622}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 38   and name HE21))
 OR { 3622}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 38   and name HE21))
 ASSI { 3626}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HE21))
      2.900     1.100     1.100 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.480 ppm2      6.840 CV     1
 OR { 3626}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 3654}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      0.837 ppm2      6.385 CV     1
 OR { 3654}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 3665}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HE1 ))
      3.100     3.100     2.900 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      4.283 ppm2      9.995 CV     1
 OR { 3665}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 75   and name HN  ))
 OR { 3665}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 75   and name HE1 ))
 ASSI { 3688}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.886 ppm2      9.358 CV     1
 OR { 3688}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 3733}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak  3733 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      4.554 ppm2      7.926 CV     1
 OR { 3733}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3707}
   (( segid "    " and resid 92   and name HG3 ))
   (  segid "    " and resid 91   and name HD% )
      2.700     0.900     0.900 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.773 ppm2      6.912 CV     1
 OR { 3707}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 3707}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 91   and name HD% )
 ASSI { 3712}
   (( segid "    " and resid 75   and name HZ2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     2.800     3.200 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      7.397 ppm2      8.034 CV     1
 OR { 3712}
   (( segid "    " and resid 15   and name HD21))
   (( segid "    " and resid 12   and name HN  ))
 OR { 3712}
   (( segid "    " and resid 10   and name HE  ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 3712}
   (( segid "    " and resid 10   and name HE  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2939}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      1.894 ppm2      8.024 CV     1
 OR { 2939}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 2939}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 3757}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak  3757 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.518 ppm2      7.926 CV     1
 OR { 3757}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 3764}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 91   and name HN  ))
      2.900     2.900     3.100 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.398 ppm2      8.768 CV     1
 OR { 3764}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 91   and name HN  ))
 OR { 3764}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 3784}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.100     1.100 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      0.723 ppm2      8.766 CV     1
 OR { 3784}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 91   and name HN  ))
 OR { 3784}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 3792}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      2.700     2.700     3.300 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1     -0.308 ppm2      7.933 CV     1
 OR { 3792}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 3802}
   (  segid "    " and resid 53   and name HD1%)
   (  segid "    " and resid 71   and name HD% )
      2.900     1.000     1.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      0.876 ppm2      7.288 CV     1
 OR { 3802}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 71   and name HD% )
 OR { 3802}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 68   and name HH2 ))
 OR { 3802}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 75   and name HD1 ))
 OR { 3802}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 75   and name HD1 ))
 ASSI { 3814}
   (( segid "    " and resid 112  and name HD2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.800     2.800     3.200 peak  3814 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.739 ppm2      8.444 CV     1
 OR { 3814}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 OR { 3814}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 3828}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 99   and name HN  ))
      3.000     1.200     1.200 peak  3828 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.440 ppm2      7.812 CV     1
 OR { 3828}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 3842}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.385 ppm2      8.045 CV     1
 OR { 3842}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
 OR { 3842}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 3845}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.900     1.100     1.100 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.781 ppm2      8.771 CV     1
 OR { 3845}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 3850}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.302 ppm2      8.701 CV     1
 OR { 3850}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 OR { 3850}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 15   and name HD22))
 ASSI { 3887}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.552 ppm2      7.926 CV     1
 OR { 3887}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 3887}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 3952}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  3952 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      8.947 ppm2      8.308 CV     1
 OR { 3952}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 3874}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak  3874 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      4.320 ppm2      8.048 CV     1
 OR { 3874}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3875}
   (( segid "    " and resid 62   and name HG  ))
   (  segid "    " and resid 71   and name HE% )
      2.900     1.100     1.100 peak  3875 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.574 ppm2      7.351 CV     1
 OR { 3875}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 71   and name HE% )
 ASSI { 3937}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.100     3.100     2.900 peak  3937 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.827 ppm2      9.463 CV     1
 OR { 3937}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3891}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.200     1.200 peak  3891 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.688 ppm2      7.035 CV     1
 OR { 3891}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 3909}
   (( segid "    " and resid 75   and name HH2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      7.193 ppm2      9.116 CV     1
 OR { 3909}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 OR { 3909}
   (( segid "    " and resid 75   and name HZ3 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3911}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  3911 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      8.761 ppm2      7.664 CV     1
 OR { 3911}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 3915}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.100     1.100 peak  3915 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      4.347 ppm2      7.283 CV     1
 OR { 3915}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 3835}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 71   and name HE% )
      3.000     1.100     1.100 peak  3835 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.830 ppm2      7.351 CV     1
 OR { 3835}
   (  segid "    " and resid 53   and name HD1%)
   (  segid "    " and resid 71   and name HE% )
 ASSI { 3920}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      0.834 ppm2      9.099 CV     1
 OR { 3920}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 OR { 3920}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3924}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
      2.700     0.900     0.900 peak  3924 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      3.060 ppm2      6.908 CV     1
 OR { 3924}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 91   and name HD% )
 ASSI { 3928}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak  3928 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.502 ppm2      8.178 CV     1
 OR { 3928}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
 OR { 3928}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 3934}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     3.000     3.000 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.086 ppm2      7.185 CV     1
 OR { 3934}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3309}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 20   and name HE% )
      3.000     3.000     3.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.497 ppm2      6.306 CV     1
 OR { 3309}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 3941}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     2.800     3.200 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      1.395 ppm2      8.572 CV     1
 OR { 3941}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 102  and name HN  ))
 OR { 3941}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 3990}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 20   and name HE% )
      2.800     1.000     1.000 peak  3990 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      0.834 ppm2      6.322 CV     1
 OR { 3990}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 20   and name HE% )
 OR { 3990}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 20   and name HE% )
 ASSI { 3954}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.986 ppm2      9.976 CV     1
 OR { 3954}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
 OR { 3954}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 3963}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.200     1.200 peak  3963 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.546 ppm2      7.749 CV     1
 OR { 3963}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3967}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 97   and name HN  ))
      3.000     3.000     3.000 peak  3967 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.904 ppm2     11.441 CV     1
 OR { 3967}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 3989}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 49   and name HD% )
      3.000     3.000     3.000 peak  3989 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      1.831 ppm2      6.911 CV     1
 OR { 3989}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 20   and name HD% )
 OR { 3989}
   (  segid "    " and resid 66   and name HB% )
   (  segid "    " and resid 20   and name HD% )
 OR { 3989}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 3989}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 91   and name HD% )
 OR { 3989}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 ASSI { 3996}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak  3996 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.995 ppm2      7.529 CV     1
 OR { 3996}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 67   and name HD21))
 OR { 3996}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 42   and name HN  ))
 OR { 3996}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 3997}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 87   and name HN  ))
      3.000     1.200     1.200 peak  3997 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.681 ppm2      7.827 CV     1
 OR { 3997}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
 OR { 3997}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 4001}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD% )
      2.700     0.900     0.900 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      2.937 ppm2      7.284 CV     1
 OR { 4001}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 71   and name HD% )
 OR { 4001}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HD1 ))
 ASSI { 4015}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 97   and name HE21))
      3.100     3.100     2.900 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      7.930 ppm2      6.658 CV     1
 OR { 4015}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HE% )
 OR { 4015}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 65   and name HE% )
 ASSI { 3335}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 49   and name HD% )
      2.800     2.800     3.200 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.808 ppm2      6.911 CV     1
 OR { 3335}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 3335}
   (( segid "    " and resid 93   and name HG2 ))
   (  segid "    " and resid 91   and name HD% )
 OR { 3335}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 3335}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 OR { 3335}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 91   and name HD% )
 OR { 3335}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 ASSI { 4044}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      2.800     1.000     1.000 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      8.930 ppm2      6.917 CV     1
 OR { 4044}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
 OR { 4044}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
 ASSI { 4047}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      2.900     2.900     3.100 peak  4047 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.124 ppm2      7.313 CV     1
 OR { 4047}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 107  and name HD% )
 ASSI { 4059}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.200     1.200 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.999 ppm2      7.668 CV     1
 OR { 4059}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 94   and name HN  ))
 OR { 4059}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  857}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.220 ppm2      9.059 CV     1
 OR {  857}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HN  ))
 OR {  857}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  627}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.664 ppm2      8.025 CV     1
 OR {  627}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1429}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 95   and name HN  ))
      2.800     1.000     1.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      1.894 ppm2      7.931 CV     1
 OR { 1429}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 1429}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1429}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 1429}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 3643}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     3.000     3.000 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.493 ppm2      8.031 CV     1
 OR { 3643}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  824}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      2.119 ppm2      7.870 CV     1
 OR {  824}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
 OR {  824}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2114}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HN  ))
      2.800     0.900     0.900 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.759 ppm2      7.565 CV     1
 OR { 2114}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
 OR { 2114}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 3387}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.800     2.800     3.200 peak  3387 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.044 ppm2      5.348 CV     1
 OR { 3387}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 OR { 3387}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3147}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak  3147 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.159 ppm2      2.817 CV     1
 OR { 3147}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 2459}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.800     1.000     1.000 peak  2459 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.818 ppm2      2.903 CV     1
 OR { 2459}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
 OR { 2459}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 3339}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HB3 ))
      2.700     0.900     0.900 peak  3339 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.737 ppm2      1.914 CV     1
 OR { 3339}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HB2 ))
 OR { 3339}
   (( segid "    " and resid 108  and name HD3 ))
   (( segid "    " and resid 108  and name HB2 ))
 OR { 3339}
   (( segid "    " and resid 108  and name HD3 ))
   (( segid "    " and resid 108  and name HB3 ))
 OR { 3339}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 2017}
   (( segid "    " and resid 108  and name HG2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.800     0.800 peak  2017 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.530 ppm2      4.357 CV     1
 OR { 2017}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR { 2017}
   (( segid "    " and resid 108  and name HG3 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI {  723}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HD2 ))
      2.500     0.800     0.800 peak   723 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.717 ppm2      3.202 CV     1
 OR {  723}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HD3 ))
 OR {  723}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HD2 ))
 OR {  723}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HD2 ))
 OR {  723}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HD3 ))
 ASSI {   92}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HE3 ))
      2.600     0.800     0.800 peak    92 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.494 ppm2      2.858 CV     1
 OR {   92}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HE2 ))
 OR {   92}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  180}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.835 ppm2      3.994 CV     1
 OR {  180}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  486}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak   486 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.632 ppm2      2.951 CV     1
 OR {  486}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR {  486}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2015}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HE2 ))
      2.500     0.800     0.800 peak  2015 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.907 ppm2      2.990 CV     1
 OR { 2015}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HE3 ))
 OR { 2015}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 108  and name HE2 ))
 OR { 2015}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 108  and name HE3 ))
 ASSI { 1880}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.700     0.900     0.900 peak  1880 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.739 ppm2      2.111 CV     1
 OR { 1880}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  301}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   301 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.229 ppm2      4.352 CV     1
 OR {  301}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1869}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 101  and name HE2 ))
      2.600     0.800     0.800 peak  1869 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.544 ppm2      3.038 CV     1
 OR { 1869}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 101  and name HE3 ))
 OR { 1869}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HE3 ))
 OR { 1869}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI {   60}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak    60 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.302 ppm2      3.986 CV     1
 OR {   60}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
 OR {   60}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
 OR {   60}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HA  ))
 OR {   60}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 3130}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 90   and name HB3 ))
      2.700     0.900     0.900 peak  3130 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.671 ppm2      2.889 CV     1
 OR { 3130}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 OR { 3130}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2970}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
      2.800     1.000     1.000 peak  2970 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      2.140 ppm2      6.926 CV     1
 OR { 2970}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 2970}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 91   and name HD% )
 OR { 2970}
   (( segid "    " and resid 88   and name HB  ))
   (  segid "    " and resid 91   and name HD% )
 ASSI { 3213}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 103  and name HG2%)
      3.000     1.100     1.100 peak  3213 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.963 ppm2      1.384 CV     1
 OR { 3213}
   (  segid "    " and resid 100  and name HG2%)
   (  segid "    " and resid 103  and name HG2%)
 OR { 3213}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 3213}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 2325}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      2.600     2.600     3.400 peak  2325 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      4.269 ppm2      4.879 CV     1
 OR { 2325}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2750}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  2750 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.569 ppm2      2.898 CV     1
 OR { 2750}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 2750}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 51   and name HB3 ))
 OR { 2750}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI { 2552}
   (  segid "    " and resid 39   and name HB% )
   (  segid "    " and resid 91   and name HD% )
      2.600     0.800     0.800 peak  2552 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.825 ppm2      6.913 CV     1
 OR { 2552}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 20   and name HD% )
 OR { 2552}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 20   and name HD% )
 ASSI { 2723}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.700     2.700     3.300 peak  2723 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.892 ppm2      3.977 CV     1
 OR { 2723}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
 OR { 2723}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 96   and name HA  ))
 OR { 2723}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 29   and name HB3 ))
 OR { 2723}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
 OR { 2723}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 2700}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 107  and name HB2 ))
      2.900     1.000     1.000 peak  2700 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.512 ppm2      2.654 CV     1
 OR { 2700}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 107  and name HB2 ))
 OR { 2700}
   (( segid "    " and resid 108  and name HG3 ))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI { 2439}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 72   and name HB3 ))
      2.700     0.900     0.900 peak  2439 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.861 ppm2      2.654 CV     1
 OR { 2439}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 3187}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 19   and name HG  ))
      2.800     2.800     3.200 peak  3187 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.328 ppm2      1.426 CV     1
 OR { 3187}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 36   and name HB% )
 OR { 3187}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 100  and name HG12))
 ASSI { 3375}
   (( segid "    " and resid 93   and name HG2 ))
   (  segid "    " and resid 91   and name HD% )
      2.700     2.700     3.300 peak  3375 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.759 ppm2      6.905 CV     1
 OR { 3375}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 3375}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 OR { 3375}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 OR { 3375}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 20   and name HD% )
 ASSI { 3334}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
      2.600     2.600     3.400 peak  3334 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      1.740 ppm2      3.057 CV     1
 OR { 3334}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 101  and name HE3 ))
 OR { 3334}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 101  and name HE2 ))
 OR { 3334}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 101  and name HE3 ))
 OR { 3334}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 101  and name HE2 ))
 OR { 3334}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 OR { 3334}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 3083}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  3083 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      4.116 ppm2      4.356 CV     1
 OR { 3083}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 114  and name HA  ))
 OR { 3083}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
 OR { 3083}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 114  and name HA  ))
 OR { 3083}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 2928}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 47   and name HD% )
      2.700     0.900     0.900 peak  2928 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.073 ppm2      7.274 CV     1
 OR { 2928}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 47   and name HD% )
 OR { 2928}
   (  segid "    " and resid 53   and name HD2%)
   (  segid "    " and resid 71   and name HD% )
 ASSI { 3067}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      2.700     2.700     3.300 peak  3067 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      3.956 ppm2      4.636 CV     1
 OR { 3067}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 91   and name HA  ))
 OR { 3067}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HA  ))
 OR { 3067}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
 OR { 3067}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI { 3123}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 11   and name HB3 ))
      2.500     2.500     3.500 peak  3123 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.551 ppm2      3.374 CV     1
 OR { 3123}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
 OR { 3123}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 87   and name HA  ))
 OR { 3123}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 91   and name HB3 ))
 ASSI { 2692}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 31   and name HA2 ))
      2.600     0.800     0.800 peak  2692 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.628 ppm2      3.894 CV     1
 OR { 2692}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
 OR { 2692}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 40   and name HA  ))
 OR { 2692}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 3210}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 48   and name HB% )
      2.000     2.000     4.000 peak  3210 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.480 ppm2      1.283 CV     1
 OR { 3210}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2966}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 71   and name HD% )
      2.900     2.900     3.100 peak  2966 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.080 ppm2      7.296 CV     1
 OR { 2966}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 47   and name HD% )
 OR { 2966}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 71   and name HD% )
 ASSI { 2679}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.900     0.900 peak  2679 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      4.328 ppm2      4.556 CV     1
 OR { 2679}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
 OR { 2679}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
 OR { 2679}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2486}
   (( segid "    " and resid 17   and name HG12))
   (  segid "    " and resid 48   and name HB% )
      2.700     2.700     3.300 peak  2486 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.075 ppm2      1.279 CV     1
 OR { 2486}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 48   and name HB% )
 OR { 2486}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 18   and name HB2 ))
 OR { 2486}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2448}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 84   and name HB2 ))
      2.800     1.000     1.000 peak  2448 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.420 ppm2      2.665 CV     1
 OR { 2448}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 35   and name HB3 ))
 OR { 2448}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 72   and name HB3 ))
 ASSI { 3139}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak  3139 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.191 ppm2      3.368 CV     1
 OR { 3139}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
 OR { 3139}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 11   and name HB3 ))
 OR { 3139}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 3139}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 91   and name HB3 ))
 OR { 3139}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 OR { 3139}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 91   and name HB3 ))
 ASSI { 2741}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.900     0.900 peak  2741 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.411 ppm2      3.872 CV     1
 OR { 2741}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
 OR { 2741}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 3081}
   (( segid "    " and resid 112  and name HD3 ))
   (( segid "    " and resid 112  and name HA  ))
      2.600     0.900     0.900 peak  3081 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      3.834 ppm2      4.456 CV     1
 OR { 3081}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 3081}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 3195}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 99   and name HB2 ))
      2.500     0.800     0.800 peak  3195 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.008 ppm2      2.038 CV     1
 OR { 3195}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
 OR { 3195}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 99   and name HB3 ))
 ASSI { 2661}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  2661 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.008 ppm2      4.284 CV     1
 OR { 2661}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2747}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak  2747 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.866 ppm2      2.902 CV     1
 OR { 2747}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
 OR { 2747}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3261}
   (  segid "    " and resid 41   and name HB% )
   (  segid "    " and resid 47   and name HD% )
      2.800     1.000     1.000 peak  3261 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.553 ppm2      7.278 CV     1
 OR { 3261}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 71   and name HD% )
 ASSI { 2752}
   (( segid "    " and resid 88   and name HG12))
   (( segid "    " and resid 90   and name HB2 ))
      2.500     2.500     3.500 peak  2752 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.453 ppm2      2.472 CV     1
 OR { 2752}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 2761}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 17   and name HD1%)
      2.700     0.900     0.900 peak  2761 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.870 ppm2      1.738 CV     1
 OR { 2761}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2761}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 3388}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak  3388 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.826 ppm2      5.073 CV     1
 OR { 3388}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 3159}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  3159 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.451 ppm2      2.202 CV     1
 OR { 3159}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 9    and name HG2 ))
 OR { 3159}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HG3 ))
 OR { 3159}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HG2 ))
 OR { 3159}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 21   and name HB3 ))
 OR { 3159}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 9    and name HG2 ))
 OR { 3159}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI { 3265}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 107  and name HE% )
      2.600     0.900     0.900 peak  3265 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.912 ppm2      6.790 CV     1
 OR { 3265}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 49   and name HE% )
 ASSI { 2743}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak  2743 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.823 ppm2      2.893 CV     1
 OR { 2743}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
 OR { 2743}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 2667}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     2.700     3.300 peak  2667 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.512 ppm2      4.555 CV     1
 OR { 2667}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 113  and name HA  ))
 OR { 2667}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 2667}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
 OR { 2667}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 2697}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 15   and name HB3 ))
      2.900     1.000     1.000 peak  2697 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.280 ppm2      2.914 CV     1
 OR { 2697}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3089}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name HA2 ))
      2.900     2.900     3.100 peak  3089 spectrum    2 weight  0.10000E+01 volume  0.30112E-02 ppm1      3.492 ppm2      4.278 CV     1
 OR { 3089}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 103  and name HA  ))
 OR { 3089}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 78   and name HA2 ))
 ASSI { 3012}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      2.700     2.700     3.300 peak  3012 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.983 ppm2      5.833 CV     1
 OR { 3012}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 3100}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 79   and name HA  ))
      2.700     2.700     3.300 peak  3100 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.890 ppm2      4.792 CV     1
 OR { 3100}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
 OR { 3100}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 3037}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.400     2.400     3.600 peak  3037 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.786 ppm2      4.986 CV     1
 OR { 3037}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2305}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  2305 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.150 ppm2      4.307 CV     1
 OR { 2305}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 2465}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HB3 ))
      2.800     2.800     3.200 peak  2465 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.723 ppm2      2.218 CV     1
 OR { 2465}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
 OR { 2465}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 102  and name HB3 ))
 OR { 2465}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 102  and name HB3 ))
 OR { 2465}
   (( segid "    " and resid 88   and name HG13))
   (( segid "    " and resid 89   and name HB3 ))
 OR { 2465}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2955}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 75   and name HE3 ))
      2.900     1.100     1.100 peak  2955 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.879 ppm2      7.033 CV     1
 OR { 2955}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 75   and name HE3 ))
 OR { 2955}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 75   and name HE3 ))
 ASSI { 3072}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 91   and name HA  ))
      2.800     2.800     3.200 peak  3072 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.196 ppm2      4.636 CV     1
 OR { 3072}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 3108}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.000     1.000 peak  3108 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      0.872 ppm2      4.504 CV     1
 OR { 3108}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 3107}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      2.500     2.500     3.500 peak  3107 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.964 ppm2      4.452 CV     1
 OR { 3107}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 112  and name HA  ))
 OR { 3107}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 3107}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 3107}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 2926}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 49   and name HE% )
      2.800     2.800     3.200 peak  2926 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.012 ppm2      6.788 CV     1
 OR { 2926}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 107  and name HE% )
 ASSI { 3039}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     2.800     3.200 peak  3039 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.508 ppm2      5.513 CV     1
 OR { 3039}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 3008}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 71   and name HZ  ))
      2.500     0.800     0.800 peak  3008 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      6.933 ppm2      7.394 CV     1
 OR { 3008}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 75   and name HZ2 ))
 ASSI { 3141}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 93   and name HD2 ))
      2.800     1.000     1.000 peak  3141 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      2.279 ppm2      3.185 CV     1
 OR { 3141}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI { 3075}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     2.700     3.300 peak  3075 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.170 ppm2      4.513 CV     1
 OR { 3075}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 3075}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
 ASSI { 2927}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 107  and name HE% )
      3.200     3.200     2.800 peak  2927 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.996 ppm2      6.789 CV     1
 OR { 2927}
   (  segid "    " and resid 100  and name HG2%)
   (  segid "    " and resid 107  and name HE% )
 OR { 2927}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 107  and name HE% )
 ASSI { 2957}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 49   and name HD% )
      2.500     2.500     3.500 peak  2957 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.812 ppm2      6.911 CV     1
 OR { 2957}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 49   and name HD% )
 OR { 2957}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 OR { 2957}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 91   and name HD% )
 ASSI { 3071}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     2.600     3.400 peak  3071 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.131 ppm2      4.577 CV     1
 OR { 3071}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
 OR { 3071}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2792}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 20   and name HD% )
      2.500     0.800     0.800 peak  2792 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.866 ppm2      6.910 CV     1
 OR { 2792}
   (  segid "    " and resid 39   and name HB% )
   (  segid "    " and resid 91   and name HD% )
 ASSI { 3082}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
      2.700     2.700     3.300 peak  3082 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      4.078 ppm2      4.316 CV     1
 OR { 3082}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI {  729}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HD2 ))
      2.500     0.800     0.800 peak   729 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.799 ppm2      3.200 CV     1
 OR {  729}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HD2 ))
 ASSI {  925}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
      2.500     0.800     0.800 peak   925 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.058 ppm2      4.300 CV     1
 OR {  925}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HA  ))
 OR {  925}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1136}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     0.900     0.900 peak  1136 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      3.183 ppm2      4.269 CV     1
 OR { 1136}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR { 1136}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 78   and name HA2 ))
 ASSI { 1029}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE2 ))
      2.800     1.000     1.000 peak  1029 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.486 ppm2      3.038 CV     1
 OR { 1029}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE3 ))
 OR { 1029}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 3393}
   (( segid "    " and resid 101  and name HE3 ))
   (( segid "    " and resid 99   and name HA  ))
      2.500     2.500     3.500 peak  3393 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.023 ppm2      4.298 CV     1
 OR { 3393}
   (( segid "    " and resid 101  and name HE2 ))
   (( segid "    " and resid 99   and name HA  ))
 OR { 3393}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 3393}
   (( segid "    " and resid 101  and name HE3 ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI { 2783}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 64   and name HD3 ))
      2.100     2.100     3.900 peak  2783 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.017 ppm2      1.795 CV     1
 OR { 2783}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2783}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 46   and name HB3 ))
 OR { 2783}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 46   and name HB3 ))
 OR { 2783}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 2781}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 12   and name HG13))
      2.500     0.800     0.800 peak  2781 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.272 ppm2      1.581 CV     1
 OR { 2781}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 OR { 2781}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HG12))
 ASSI { 2022}
   (( segid "    " and resid 108  and name HD3 ))
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.900     0.900 peak  2022 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.725 ppm2      4.358 CV     1
 OR { 2022}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HA  ))
 OR { 2022}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 3437}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 49   and name HD% )
      2.800     2.800     3.200 peak  3437 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.084 ppm2      6.924 CV     1
 OR { 3437}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 91   and name HD% )
 OR { 3437}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 49   and name HD% )
 OR { 3437}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
 OR { 3437}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 20   and name HD% )
 ASSI { 3455}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 104  and name HA  ))
      2.900     1.000     1.000 peak  3455 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.992 ppm2      4.205 CV     1
 OR { 3455}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 3455}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 3459}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak  3459 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.871 ppm2      3.871 CV     1
 OR { 3459}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 82   and name HA2 ))
 OR { 3459}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3460}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak  3460 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.872 ppm2      3.950 CV     1
 OR { 3460}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 36   and name HA  ))
 OR { 3460}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 103  and name HB  ))
 ASSI { 3465}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  3465 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.697 ppm2      3.927 CV     1
 OR { 3465}
   (( segid "    " and resid 88   and name HG13))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 3466}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak  3466 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.940 ppm2      4.078 CV     1
 OR { 3466}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 44   and name HA2 ))
 OR { 3466}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 3470}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 56   and name HD3 ))
      3.100     1.200     1.200 peak  3470 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.512 ppm2      3.902 CV     1
 OR { 3470}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 3471}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     2.600     3.400 peak  3471 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.837 ppm2      3.924 CV     1
 OR { 3471}
   (( segid "    " and resid 106  and name HE3 ))
   (( segid "    " and resid 103  and name HB  ))
 OR { 3471}
   (( segid "    " and resid 106  and name HE2 ))
   (( segid "    " and resid 103  and name HB  ))
 OR { 3471}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR { 3471}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 3480}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 91   and name HB2 ))
      2.800     2.800     3.200 peak  3480 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.971 ppm2      3.058 CV     1
 OR { 3480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3480}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 49   and name HB3 ))
 OR { 3480}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 3484}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.500     0.800     0.800 peak  3484 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.006 ppm2      2.861 CV     1
 OR { 3484}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HE3 ))
 OR { 3484}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HE2 ))
 OR { 3484}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 90   and name HB3 ))
 ASSI { 3486}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak  3486 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.716 ppm2      2.314 CV     1
 OR { 3486}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 3488}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
      2.900     2.900     3.100 peak  3488 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.993 ppm2      1.516 CV     1
 OR { 3488}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
 OR { 3488}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  360}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HD3 ))
      2.700     0.900     0.900 peak   360 spectrum    3 weight  0.10000E+01 volume  0.44156E-02 ppm1      7.239 ppm2      1.715 CV     1
 OR {  360}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD3 ))
 OR {  360}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1999}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.600     1.600     1.600 peak  1999 spectrum    3 weight  0.10000E+01 volume  0.76258E-03 ppm1      8.017 ppm2      8.731 CV     1
 OR { 1999}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 1991}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      3.500     1.500     1.500 peak  1991 spectrum    3 weight  0.10000E+01 volume  0.96947E-03 ppm1      9.265 ppm2      7.258 CV     1
 OR { 1991}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
 ASSI {   52}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak    52 spectrum    3 weight  0.10000E+01 volume  0.11246E-01 ppm1      7.853 ppm2      1.804 CV     1
 OR {   52}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {   52}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  500}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
      2.500     0.800     0.800 peak   500 spectrum    3 weight  0.10000E+01 volume  0.39436E-02 ppm1      8.845 ppm2      2.167 CV     1
 OR {  500}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HG2 ))
 ASSI { 1174}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.000     2.000     2.000 peak  1174 spectrum    3 weight  0.10000E+01 volume  0.42566E-03 ppm1      8.788 ppm2      7.785 CV     1
 OR { 1174}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1203}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      4.200     2.300     1.800 peak  1203 spectrum    3 weight  0.10000E+01 volume  0.45191E-03 ppm1      7.608 ppm2      0.952 CV     1
 OR { 1203}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
 OR { 1203}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1223}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      4.600     2.600     1.400 peak  1223 spectrum    3 weight  0.10000E+01 volume  0.47497E-03 ppm1      9.435 ppm2      1.489 CV     1
 OR { 1223}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1243}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      4.800     2.900     1.200 peak  1243 spectrum    3 weight  0.10000E+01 volume  0.50402E-03 ppm1      8.539 ppm2      1.383 CV     1
 OR { 1243}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
 ASSI { 1254}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      4.300     2.300     1.700 peak  1254 spectrum    3 weight  0.10000E+01 volume  0.51358E-03 ppm1      8.263 ppm2      0.794 CV     1
 OR { 1254}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
 OR { 1254}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
 ASSI { 1272}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      4.100     2.100     1.900 peak  1272 spectrum    3 weight  0.10000E+01 volume  0.54220E-03 ppm1      6.792 ppm2      0.844 CV     1
 OR { 1272}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1290}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.500     2.500     1.500 peak  1290 spectrum    3 weight  0.10000E+01 volume  0.56368E-03 ppm1      6.985 ppm2      0.813 CV     1
 OR { 1290}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 53   and name HD1%)
 ASSI { 1333}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.300     2.300     1.700 peak  1333 spectrum    3 weight  0.10000E+01 volume  0.62693E-03 ppm1      7.837 ppm2      2.797 CV     1
 OR { 1333}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1398}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      4.100     2.100     1.900 peak  1398 spectrum    3 weight  0.10000E+01 volume  0.73555E-03 ppm1      8.745 ppm2      1.999 CV     1
 OR { 1398}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HG3 ))
 ASSI { 1412}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      4.000     2.000     2.000 peak  1412 spectrum    3 weight  0.10000E+01 volume  0.78290E-03 ppm1      8.022 ppm2      0.836 CV     1
 OR { 1412}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 1425}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.000     2.000     2.000 peak  1425 spectrum    3 weight  0.10000E+01 volume  0.82467E-03 ppm1      8.016 ppm2      0.791 CV     1
 OR { 1425}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
 OR { 1425}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
 ASSI { 1494}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.700     1.700     1.700 peak  1494 spectrum    3 weight  0.10000E+01 volume  0.96269E-03 ppm1      8.845 ppm2      3.331 CV     1
 OR { 1494}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
 ASSI { 1972}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
      3.800     1.800     1.800 peak  1972 spectrum    3 weight  0.10000E+01 volume  0.11469E-02 ppm1      8.431 ppm2      0.960 CV     1
 OR { 1972}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1972}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 1972}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
 ASSI { 1526}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.900     2.900     3.100 peak  1526 spectrum    3 weight  0.10000E+01 volume  0.11552E-02 ppm1     11.408 ppm2      0.828 CV     1
 OR { 1526}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 81   and name HG2%)
 ASSI { 1020}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG2 ))
      3.700     1.700     1.700 peak  1020 spectrum    3 weight  0.10000E+01 volume  0.11680E-02 ppm1      8.745 ppm2      2.167 CV     1
 OR { 1020}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
 OR { 1020}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
 OR { 1020}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG3 ))
 ASSI { 1532}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.800     1.800     1.800 peak  1532 spectrum    3 weight  0.10000E+01 volume  0.11791E-02 ppm1      8.202 ppm2      1.426 CV     1
 OR { 1532}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
 ASSI { 1558}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      3.800     1.800     1.800 peak  1558 spectrum    3 weight  0.10000E+01 volume  0.13227E-02 ppm1      7.727 ppm2      3.918 CV     1
 OR { 1558}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
 ASSI { 1568}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak  1568 spectrum    3 weight  0.10000E+01 volume  0.13756E-02 ppm1      7.235 ppm2      4.328 CV     1
 OR { 1568}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 OR { 1568}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 1597}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      3.600     1.600     1.600 peak  1597 spectrum    3 weight  0.10000E+01 volume  0.15817E-02 ppm1      7.150 ppm2      1.037 CV     1
 OR { 1597}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
 ASSI { 1600}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      3.900     1.900     1.900 peak  1600 spectrum    3 weight  0.10000E+01 volume  0.15884E-02 ppm1      7.634 ppm2      1.990 CV     1
 OR { 1600}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG3 ))
 ASSI { 1692}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      5.000     3.200     1.000 peak  1692 spectrum    3 weight  0.10000E+01 volume  0.24147E-03 ppm1      8.141 ppm2      1.684 CV     1
 OR { 1692}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HG3 ))
 ASSI { 1720}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.700     2.700     1.300 peak  1720 spectrum    3 weight  0.10000E+01 volume  0.26374E-03 ppm1      9.435 ppm2      9.057 CV     1
 OR { 1720}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1737}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      5.400     3.600     0.600 peak  1737 spectrum    3 weight  0.10000E+01 volume  0.27449E-03 ppm1      8.876 ppm2      2.430 CV     1
 OR { 1737}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI { 1926}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      4.400     2.400     1.600 peak  1926 spectrum    3 weight  0.10000E+01 volume  0.37194E-03 ppm1      7.678 ppm2      1.402 CV     1
 OR { 1926}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 114  and name HB% )
 ASSI { 2032}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      4.000     2.000     2.000 peak  2032 spectrum    3 weight  0.10000E+01 volume  0.82902E-03 ppm1      7.728 ppm2      0.854 CV     1
 OR { 2032}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
 OR { 2032}
   (( segid "    " and resid 54   and name HE22))
   (  segid "    " and resid 53   and name HD1%)



============================================================
dihedrals1


!   5
assign (resid   4 and name C ) (resid   5 and name N )
       (resid   5 and name CA) (resid   5 and name C )    1.00  -60.00   20.00   2

!   6
assign (resid   5 and name C ) (resid   6 and name N )
       (resid   6 and name CA) (resid   6 and name C )    1.00  -60.00   20.00   2

!   7 
assign (resid   6 and name C ) (resid   7 and name N )
       (resid   7 and name CA) (resid   7 and name C )    1.00  -60.00   20.00   2

!   8 
assign (resid   7 and name C ) (resid   8 and name N )
       (resid   8 and name CA) (resid   8 and name C )    1.00  -60.00   20.00   2

!   9 
assign (resid   8 and name C ) (resid   9 and name N )
       (resid   9 and name CA) (resid   9 and name C )    1.00  -60.00   20.00   2

!   12 
assign (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -60.00   40.00   2

!   13 
assign (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -60.00   20.00   2

!   14 
assign (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -60.00   40.00   2

!   15 
assign (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -120.00   40.00   2

 
!   17 
assign (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.00  -120.00   40.00   2

!   18  
assign (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -120.00   20.00   2

!   19 
assign (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -120.00   20.00   2

!   20 
assign (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -120.00   20.00   2

!   21 
assign (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -120.00   20.00   2
   
!   22 
assign (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -120.00   20.00   2

!   23 
assign (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -120.00   20.00   2

!   24 
assign (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -120.00   40.00   2

!   26 
assign (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -60.00    40.00   2

!   27 
assign (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -120.00   40.00   2

!   29 
assign (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -120.00   40.00   2

!   32 
assign (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -120.00   40.00   2

!   35 
assign (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -60.00   20.00   2

!   36 
assign (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00  -60.00   20.00   2

!   37 
assign (resid   36 and name C ) (resid   37 and name N )
       (resid   37 and name CA) (resid   37 and name C )  1.00  -60.00   20.00   2

!   38 
assign (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.00  -60.00   20.00   2

!   39 
assign (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -60.00   20.00   2

!   40 
assign (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -60.00   20.00   2

!   41 
assign (resid   40 and name C ) (resid   41 and name N )
       (resid   41 and name CA) (resid   41 and name C )  1.00  -60.00   20.00   2

!   42  
assign (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )  1.00  -60.00   40.00   2

!   43  
assign (resid   42 and name C ) (resid   43 and name N )
       (resid   43 and name CA) (resid   43 and name C )  1.00  -60.00   40.00   2

!   44  
assign (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -60.00   40.00   2

!   45  
assign (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -120.00   20.00   2

!   46  
assign (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -60.00   40.00   2

!   47  
assign (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -120.00   40.00   2

!   48  
assign (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -120.00   20.00   2

!   49  
assign (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -120.00   40.00   2

!   50  
assign (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -120.00   40.00   2

!   54  
assign (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -120.00   20.00   2

!   57  
assign (resid   56 and name C ) (resid   57 and name N )
       (resid   57 and name CA) (resid   57 and name C )  1.00  -60.00   40.00   2

!   58 
assign (resid   57 and name C ) (resid   58 and name N )
       (resid   58 and name CA) (resid   58 and name C )  1.00  -60.00   20.00   2

!   59 
assign (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -60.00   20.00   2

!   60  
assign (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -60.00   40.00   2

!   61  
assign (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -120.00   40.00   2

!   65  
assign (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.00  -60.00   40.00   2

!   66  
assign (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -60.00   40.00   2

!   67  
assign (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -120.00   40.00   2

!   70  
assign (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -120.00   20.00   2

!   71  
assign (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.00  -120.00   40.00   2

!   73  
assign (resid   72 and name C ) (resid   73 and name N )
       (resid   73 and name CA) (resid   73 and name C )  1.00  -120.00   40.00   2

!   74  
assign (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.00  -120.00   40.00   2

!   75  
assign (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -120.00   40.00   2

!   76  
assign (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -120.00   20.00   2

!   79  
assign (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -120.00   20.00   2

!   81  
assign (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.00  -120.00   40.00   2

!   83  
assign (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.00  -120.00   40.00   2

!   84 J= 4.35
assign (resid   83 and name C ) (resid   84 and name N )
       (resid   84 and name CA) (resid   84 and name C )  1.00  -60.00   20.00   2

!   85 
assign (resid   84 and name C ) (resid   85 and name N )
       (resid   85 and name CA) (resid   85 and name C )  1.00  -60.00   20.00   2

!   87 
assign (resid   86 and name C ) (resid   87 and name N )
       (resid   87 and name CA) (resid   87 and name C )  1.00  -60.00   20.00   2

!   89 J= 3.87
assign (resid   88 and name C ) (resid   89 and name N )
       (resid   89 and name CA) (resid   89 and name C )  1.00  -60.00   20.00   2

!   90 
assign (resid   89 and name C ) (resid   90 and name N )
       (resid   90 and name CA) (resid   90 and name C )  1.00  -60.00   20.00   2

!   91 
assign (resid   90 and name C ) (resid   91 and name N )
       (resid   91 and name CA) (resid   91 and name C )  1.00  -60.00   20.00   2

!   92 
assign (resid   91 and name C ) (resid   92 and name N )
       (resid   92 and name CA) (resid   92 and name C )  1.00  -60.00   20.00   2

!   95  
assign (resid   94 and name C ) (resid   95 and name N )
       (resid   95 and name CA) (resid   95 and name C )  1.00  -60.00   40.00   2

!   96  
assign (resid   95 and name C ) (resid   96 and name N )
       (resid   96 and name CA) (resid   96 and name C )  1.00  -60.00   20.00   2

!  100 
assign (resid   99 and name C ) (resid  100 and name N )
       (resid  100 and name CA) (resid  100 and name C )  1.00  -60.00   40.00   2

!  101 
assign (resid  100 and name C ) (resid  101 and name N )
       (resid  101 and name CA) (resid  101 and name C )  1.00  -60.00   20.00   2

!  102 
assign (resid  101 and name C ) (resid  102 and name N )
       (resid  102 and name CA) (resid  102 and name C )  1.00  -60.00   20.00   2

!  103 
assign (resid  102 and name C ) (resid  103 and name N )
       (resid  103 and name CA) (resid  103 and name C )  1.00  -60.00   20.00   2

!  104
assign (resid  103 and name C ) (resid  104 and name N )
       (resid  104 and name CA) (resid  104 and name C )  1.00  -60.00   20.00   2

!  105 
assign (resid  104 and name C ) (resid  105 and name N )
       (resid  105 and name CA) (resid  105 and name C )  1.00  -60.00   20.00   2

!  107 
assign (resid  106 and name C ) (resid  107 and name N )
       (resid  107 and name CA) (resid  107 and name C )  1.00  -120.00  40.00   2

!  108 
assign (resid  107 and name C ) (resid  108 and name N )
       (resid  108 and name CA) (resid  108 and name C )  1.00  -60.00  40.00   2

!  109 
assign (resid  108 and name C ) (resid  109 and name N )
       (resid  109 and name CA) (resid  109 and name C )  1.00  -60.00  40.00   2

!  111 
assign (resid  110 and name C ) (resid  111 and name N )
       (resid  111 and name CA) (resid  111 and name C )  1.00  -60.00  60.00   2

!  113 
assign (resid  112 and name C ) (resid  113 and name N )
       (resid  113 and name CA) (resid  113 and name C )  1.00  -60.00  60.00   2

!  114 
assign (resid  113 and name C ) (resid  114 and name N )
       (resid  114 and name CA) (resid  114 and name C )  1.00  -60.00  60.00   2

!  115 
assign (resid  114 and name C ) (resid  115 and name N )
       (resid  115 and name CA) (resid  115 and name C )  1.00  -120.00  40.00   2


============================================================
dihedrals_talos1


! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/massimo/aria1.2/grx4/28_12_04/grx4pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -88  38 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -126  64 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -111  20 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -114  22 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -111  24 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -78  48 2

! Talos derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -112  62 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -87  36 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  40 and name C)
       (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -107  40 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -126  50 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -123  36 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -125  32 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -117  42 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -99  42 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -83  36 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -58  28 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -70  24 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -68  38 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -80  34 2

! Talos derived phi restraint:
assign (resid  68 and name C)
       (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -122  50 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -133  38 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -114  40 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -111  32 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -126  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0  81  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -72  22 2

! Talos derived phi restraint:
!assign (resid  80 and name C)
!       (resid  81 and name N)
!       (resid  81 and name CA)
!       (resid  81 and name C)
!       1.0 -64  22 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  84 and name C)
       (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  85 and name C)
       (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  86 and name C)
       (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  87 and name C)
       (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  88 and name C)
       (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  89 and name C)
       (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       1.0 -69  22 2

! Talos derived phi restraint:
assign (resid  90 and name C)
       (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  91 and name C)
       (resid  92 and name N)
       (resid  92 and name CA)
       (resid  92 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  92 and name C)
       (resid  93 and name N)
       (resid  93 and name CA)
       (resid  93 and name C)
       1.0 -93  36 2

! Talos derived phi restraint:
assign (resid  93 and name C)
       (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       1.0  88  32 2

! Talos derived phi restraint:
assign (resid  94 and name C)
       (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       1.0 -69  28 2

! Talos derived phi restraint:
assign (resid  95 and name C)
       (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  96 and name C)
       (resid  97 and name N)
       (resid  97 and name CA)
       (resid  97 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  97 and name C)
       (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  98 and name C)
       (resid  99 and name N)
       (resid  99 and name CA)
       (resid  99 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  99 and name C)
       (resid 100 and name N)
       (resid 100 and name CA)
       (resid 100 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid 100 and name C)
       (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid 101 and name C)
       (resid 102 and name N)
       (resid 102 and name CA)
       (resid 102 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid 102 and name C)
       (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid 103 and name C)
       (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid 104 and name C)
       (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid 105 and name C)
       (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid 106 and name C)
       (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       1.0 -82  24 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -28  22 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -21  44 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -19  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 126  28 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 123  26 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 120  20 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0 133  20 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 128  38 2

! Talos derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 141  42 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 -21  20 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0  -5  32 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 -34  22 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  41 and name N)
       (resid  41 and name CA)
       (resid  41 and name C)
       (resid  42 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 -42  24 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 136  64 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 156  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 146  36 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 144  22 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 131  36 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 129  36 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -23  28 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 -25  20 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 -31  32 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 -29  30 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -43  24 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -30  20 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -33  38 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 -10  34 2

! Talos derived psi restraint:
assign (resid  69 and name N)
       (resid  69 and name CA)
       (resid  69 and name C)
       (resid  70 and name N)
       1.0 -25  20 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 131  64 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 149  32 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 124  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 135  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 135  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0  -7  32 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 125  30 2

! Talos derived psi restraint:
!assign (resid  81 and name N)
!       (resid  81 and name CA)
!       (resid  81 and name C)
!       (resid  82 and name N)
!       1.0 -35  30 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 -47  20 2

! Talos derived psi restraint:
assign (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       (resid  86 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       (resid  87 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       (resid  88 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       (resid  89 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       (resid  90 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       (resid  91 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       (resid  92 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  92 and name N)
       (resid  92 and name CA)
       (resid  92 and name C)
       (resid  93 and name N)
       1.0 -27  28 2

! Talos derived psi restraint:
assign (resid  93 and name N)
       (resid  93 and name CA)
       (resid  93 and name C)
       (resid  94 and name N)
       1.0   1  34 2

! Talos derived psi restraint:
assign (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       (resid  95 and name N)
       1.0  -1  22 2

! Talos derived psi restraint:
assign (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       (resid  96 and name N)
       1.0 -28  38 2

! Talos derived psi restraint:
assign (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       (resid  97 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  97 and name N)
       (resid  97 and name CA)
       (resid  97 and name C)
       (resid  98 and name N)
       1.0 -47  20 2

! Talos derived psi restraint:
assign (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       (resid  99 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  99 and name N)
       (resid  99 and name CA)
       (resid  99 and name C)
       (resid 100 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid 100 and name N)
       (resid 100 and name CA)
       (resid 100 and name C)
       (resid 101 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       (resid 102 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid 102 and name N)
       (resid 102 and name CA)
       (resid 102 and name C)
       (resid 103 and name N)
       1.0 -39  22 2

! Talos derived psi restraint:
assign (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       (resid 104 and name N)
       1.0 -40  22 2

! Talos derived psi restraint:
assign (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       (resid 105 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       (resid 106 and name N)
       1.0 -36  34 2

! Talos derived psi restraint:
assign (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       (resid 107 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       (resid 108 and name N)
       1.0 -13  32 2



============================================================
unambig1


 ASSI { 3254}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HD21))
      3.100     1.200     1.200 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.525 ppm2      7.605 CV     1
 ASSI { 3258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      5.530 ppm2      9.098 CV     1
 ASSI { 3260}
   (( segid "    " and resid 91   and name HB3 ))
   (  segid "    " and resid 91   and name HE% )
      3.100     1.200     1.200 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.345 ppm2      6.762 CV     1
 ASSI { 2724}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.810 ppm2      8.171 CV     1
 ASSI { 2435}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     2.700     3.300 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.526 ppm2      6.973 CV     1
 ASSI { 3266}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      3.000     3.000     3.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.853 ppm2      6.794 CV     1
 ASSI { 3103}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.856 ppm2      9.068 CV     1
 ASSI { 3267}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
      3.100     1.200     1.200 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.752 ppm2      6.821 CV     1
 ASSI { 3306}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      2.700     0.900     0.900 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      9.300 ppm2      7.300 CV     1
 ASSI { 4008}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.000     3.000     3.000 peak  4008 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.509 ppm2      7.926 CV     1
 ASSI { 3268}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 75   and name HE3 ))
      2.800     1.000     1.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      8.036 ppm2      7.032 CV     1
 ASSI { 3387}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.630 ppm2      7.012 CV     1
 ASSI { 3270}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      2.800     2.800     3.200 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.686 ppm2      6.795 CV     1
 ASSI { 3271}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     3.100     2.900 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.593 ppm2      7.934 CV     1
 ASSI { 3253}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      5.502 ppm2      9.972 CV     1
 ASSI { 3972}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      2.900     2.900     3.100 peak  3972 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.526 ppm2      8.180 CV     1
 ASSI { 3238}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.800     1.000     1.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      4.577 ppm2      8.168 CV     1
 ASSI { 3277}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      2.700     2.700     3.300 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      5.530 ppm2      6.915 CV     1
 ASSI { 2442}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      4.148 ppm2      8.031 CV     1
 ASSI { 2459}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      4.355 ppm2      7.764 CV     1
 ASSI { 3303}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HE% )
      3.000     3.000     3.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      4.629 ppm2      6.754 CV     1
 ASSI { 3279}
   (  segid "    " and resid 88   and name HD1%)
   (  segid "    " and resid 91   and name HE% )
      2.800     1.000     1.000 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.730 ppm2      6.759 CV     1
 ASSI { 3008}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     0.900     0.900 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.376 ppm2      8.505 CV     1
 ASSI { 3287}
   (( segid "    " and resid 94   and name HA1 ))
   (( segid "    " and resid 97   and name HE21))
      2.500     0.800     0.800 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.726 ppm2      6.672 CV     1
 ASSI { 3465}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 75   and name HH2 ))
      3.000     3.000     3.000 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.738 ppm2      7.183 CV     1
 ASSI { 3289}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 35   and name HE21))
      2.900     2.900     3.100 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.327 ppm2      6.718 CV     1
 ASSI { 2767}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.400     1.400 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.846 ppm2      7.015 CV     1
 ASSI { 3295}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.324 ppm2      8.109 CV     1
 OR { 3295}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 2550}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      4.651 ppm2      7.322 CV     1
 ASSI { 3259}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.397 ppm2      9.972 CV     1
 ASSI { 3298}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 65   and name HE% )
      2.800     1.000     1.000 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.566 ppm2      6.665 CV     1
 ASSI { 2452}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.000     1.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.000 ppm2      6.973 CV     1
 ASSI { 3300}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HE22))
      3.400     1.400     1.400 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.917 ppm2      7.381 CV     1
 ASSI { 2376}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.493 ppm2      7.576 CV     1
 ASSI { 3302}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.100     1.100 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.847 ppm2     11.439 CV     1
 OR { 3302}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 3203}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.900     2.900     3.100 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      4.372 ppm2      8.414 CV     1
 ASSI { 3310}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      2.700     0.900     0.900 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      5.356 ppm2      7.300 CV     1
 ASSI { 2668}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.470 ppm2      7.642 CV     1
 ASSI { 3348}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.832 ppm2      8.222 CV     1
 ASSI { 3319}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HD22))
      2.900     1.000     1.000 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.542 ppm2      8.701 CV     1
 ASSI { 3318}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 75   and name HZ3 ))
      2.700     0.900     0.900 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      8.029 ppm2      7.217 CV     1
 ASSI { 2948}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.100     1.100 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.029 ppm2      9.023 CV     1
 ASSI { 3459}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      6.977 ppm2      7.927 CV     1
 ASSI { 2403}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.400 ppm2      7.929 CV     1
 ASSI { 3321}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 94   and name HN  ))
      3.100     1.200     1.200 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      6.674 ppm2      7.663 CV     1
 ASSI { 3361}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.542 ppm2      8.049 CV     1
 ASSI { 3294}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 47   and name HE% )
      2.900     1.100     1.100 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.495 ppm2      7.093 CV     1
 ASSI { 4022}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      3.200     1.300     1.300 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      9.463 ppm2      6.926 CV     1
 ASSI { 3430}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.21597E-02 ppm1      3.751 ppm2      8.629 CV     1
 ASSI { 3325}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      5.208 ppm2      7.762 CV     1
 ASSI { 3327}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HE22))
      3.300     1.400     1.400 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.363 ppm2      7.156 CV     1
 ASSI { 2928}
   (( segid "    " and resid 78   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.650 ppm2      7.931 CV     1
 ASSI { 2991}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     2.800     3.200 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      4.320 ppm2      8.505 CV     1
 ASSI { 3328}
   (( segid "    " and resid 88   and name HG12))
   (( segid "    " and resid 88   and name HN  ))
      2.600     0.800     0.800 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.539 ppm2      8.500 CV     1
 ASSI { 3442}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 91   and name HE% )
      2.800     1.000     1.000 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.458 ppm2      6.754 CV     1
 ASSI { 2964}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.163 ppm2      7.011 CV     1
 ASSI { 3342}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 75   and name HE1 ))
      3.000     3.000     3.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.865 ppm2      9.998 CV     1
 ASSI { 3336}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 35   and name HE21))
      3.100     3.100     2.900 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.663 ppm2      6.717 CV     1
 ASSI { 3337}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 97   and name HE21))
      2.700     0.900     0.900 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.628 ppm2      6.669 CV     1
 ASSI { 2394}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.914 ppm2      7.969 CV     1
 ASSI { 3349}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 65   and name HE% )
      3.100     1.200     1.200 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      3.176 ppm2      6.658 CV     1
 ASSI { 3334}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      6.389 ppm2      8.458 CV     1
 ASSI { 3992}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  3992 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.581 ppm2      7.726 CV     1
 ASSI { 3353}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.738 ppm2      8.412 CV     1
 ASSI { 3466}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD1 ))
      2.900     1.000     1.000 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.888 ppm2      7.398 CV     1
 ASSI { 2747}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      9.722 ppm2      9.104 CV     1
 ASSI { 3358}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.100     3.100     2.900 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      3.408 ppm2      9.025 CV     1
 ASSI { 3359}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  3359 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.390 ppm2     10.989 CV     1
 ASSI { 3362}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD1 ))
      3.000     1.100     1.100 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.864 ppm2      7.393 CV     1
 ASSI { 3396}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 75   and name HZ2 ))
      2.900     1.100     1.100 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      6.672 ppm2      7.403 CV     1
 ASSI { 3307}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.811 ppm2      8.458 CV     1
 ASSI { 3397}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     2.700     3.300 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.323 ppm2      8.567 CV     1
 ASSI { 3057}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
      3.100     1.200     1.200 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.379 ppm2      7.518 CV     1
 ASSI { 3373}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HE3 ))
      2.700     0.900     0.900 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      7.936 ppm2      7.039 CV     1
 ASSI { 3374}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 47   and name HE% )
      2.800     2.800     3.200 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.249 ppm2      7.093 CV     1
 ASSI { 3377}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.919 ppm2      6.386 CV     1
 ASSI { 3378}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      2.800     1.000     1.000 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      5.530 ppm2      6.794 CV     1
 ASSI { 2476}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.299 ppm2      8.947 CV     1
 ASSI { 3385}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HE% )
      3.000     3.000     3.000 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      3.059 ppm2      6.660 CV     1
 ASSI { 3357}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HE21))
      2.300     0.700     0.700 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.285 ppm2      6.831 CV     1
 ASSI { 3166}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.800     1.000     1.000 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.210 ppm2      7.770 CV     1
 ASSI { 2980}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.800     2.800     3.200 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      3.711 ppm2      7.828 CV     1
 ASSI { 3376}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      2.700     0.900     0.900 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      8.921 ppm2      7.633 CV     1
 ASSI { 2756}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.148 ppm2      7.050 CV     1
 ASSI { 2653}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     2.800     3.200 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      4.214 ppm2      7.640 CV     1
 ASSI { 3413}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9    and name HE21))
      2.500     0.800     0.800 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.736 ppm2      6.789 CV     1
 ASSI { 3978}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 9    and name HE21))
      3.200     1.200     1.200 peak  3978 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.252 ppm2      6.789 CV     1
 ASSI { 3056}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.800     0.800 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.204 ppm2      7.518 CV     1
 ASSI { 4074}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  4074 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.542 ppm2      6.970 CV     1
 ASSI { 3389}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.000     1.100     1.100 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      5.381 ppm2      9.028 CV     1
 ASSI { 2642}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.980 ppm2      9.124 CV     1
 ASSI { 3392}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HE3 ))
      3.100     1.200     1.200 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.975 ppm2      7.672 CV     1
 ASSI { 3094}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.900     1.100     1.100 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      3.979 ppm2      7.819 CV     1
 ASSI { 3394}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 91   and name HE% )
      2.800     1.000     1.000 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.983 ppm2      6.755 CV     1
 ASSI { 2411}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.569 ppm2      8.049 CV     1
 ASSI { 3593}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 68   and name HH2 ))
      2.700     0.900     0.900 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.845 ppm2      7.269 CV     1
 ASSI { 2775}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.297 ppm2      9.026 CV     1
 ASSI { 2598}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      8.015 ppm2      8.439 CV     1
 ASSI { 3402}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD22))
      2.900     1.100     1.100 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      6.983 ppm2      8.705 CV     1
 ASSI { 2553}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.23170E-02 ppm1      3.996 ppm2      7.322 CV     1
 ASSI { 3403}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.980 ppm2      8.309 CV     1
 ASSI { 3404}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.200     1.200 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.719 ppm2      8.039 CV     1
 ASSI { 3406}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 49   and name HD% )
      3.000     1.100     1.100 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.396 ppm2      6.913 CV     1
 ASSI { 3408}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HD1 ))
      3.100     1.200     1.200 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.196 ppm2      7.300 CV     1
 ASSI { 3441}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.566 ppm2      9.107 CV     1
 ASSI { 3409}
   (( segid "    " and resid 78   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     2.900     3.100 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.660 ppm2      7.759 CV     1
 ASSI { 3405}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 101  and name HN  ))
      3.100     1.200     1.200 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.441 ppm2      8.228 CV     1
 ASSI { 2410}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.569 ppm2      7.880 CV     1
 ASSI { 2540}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     2.900     3.100 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.606 ppm2      7.322 CV     1
 ASSI { 3016}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.864 ppm2      8.051 CV     1
 ASSI { 3412}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 97   and name HN  ))
      2.800     2.800     3.200 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.766 ppm2     11.447 CV     1
 ASSI { 3160}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.900     0.900 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.935 ppm2      8.628 CV     1
 ASSI { 2384}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.989 ppm2      8.411 CV     1
 ASSI { 2903}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.196 ppm2      9.104 CV     1
 ASSI { 3415}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.936 ppm2      7.321 CV     1
 ASSI { 2725}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.067 ppm2      8.171 CV     1
 ASSI { 2979}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.711 ppm2      8.288 CV     1
 ASSI { 3419}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 68   and name HZ2 ))
      2.800     0.900     0.900 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      7.013 ppm2      7.533 CV     1
 ASSI { 3422}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      2.800     0.900     0.900 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1     -0.208 ppm2      8.458 CV     1
 ASSI { 2793}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.409 ppm2      7.817 CV     1
 ASSI { 2783}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.445 ppm2      7.436 CV     1
 ASSI { 3425}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HE21))
      2.600     0.800     0.800 peak  3425 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.577 ppm2      6.872 CV     1
 ASSI { 3426}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 91   and name HD% )
      2.600     0.900     0.900 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.569 ppm2      6.908 CV     1
 ASSI { 3428}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 35   and name HE22))
      3.000     3.000     3.000 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.879 ppm2      7.090 CV     1
 ASSI { 3009}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     2.800     3.200 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.376 ppm2      8.875 CV     1
 ASSI { 3232}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
      3.200     1.300     1.300 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.317 ppm2      8.442 CV     1
 ASSI { 3432}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.983 ppm2      8.314 CV     1
 ASSI { 2855}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.276 ppm2      6.302 CV     1
 ASSI { 3102}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.856 ppm2      6.821 CV     1
 ASSI { 3434}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 91   and name HE% )
      3.000     3.000     3.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.866 ppm2      6.757 CV     1
 ASSI { 2678}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.872 ppm2      7.870 CV     1
 ASSI { 3365}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.286 ppm2      8.407 CV     1
 ASSI { 3024}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      4.138 ppm2      8.875 CV     1
 ASSI { 3439}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 49   and name HE% )
      2.800     1.000     1.000 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      8.930 ppm2      6.789 CV     1
 ASSI { 3513}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      6.968 ppm2      9.119 CV     1
 ASSI { 2956}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.712 ppm2      6.385 CV     1
 ASSI { 3444}
   (( segid "    " and resid 107  and name HB3 ))
   (  segid "    " and resid 107  and name HE% )
      3.100     3.100     2.900 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.414 ppm2      6.791 CV     1
 ASSI { 3445}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.830 ppm2      8.875 CV     1
 ASSI { 2993}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.735 ppm2      7.828 CV     1
 ASSI { 3064}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      4.506 ppm2      7.665 CV     1
 ASSI { 2632}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.288 ppm2      7.707 CV     1
 ASSI { 3449}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      4.667 ppm2      7.198 CV     1
 ASSI { 3443}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD22))
      3.100     1.200     1.200 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.921 ppm2      8.706 CV     1
 ASSI { 2768}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.285 ppm2      7.015 CV     1
 ASSI { 3067}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 94   and name HN  ))
      3.100     1.200     1.200 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.883 ppm2      7.665 CV     1
 ASSI { 3818}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak  3818 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.551 ppm2      9.109 CV     1
 ASSI { 2978}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      8.812 ppm2      8.288 CV     1
 ASSI { 3456}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HE21))
      2.500     0.800     0.800 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.931 ppm2      6.759 CV     1
 ASSI { 2404}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.485 ppm2      8.411 CV     1
 ASSI { 3112}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.700     0.900     0.900 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      4.092 ppm2      7.819 CV     1
 ASSI { 3427}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.519 ppm2      8.571 CV     1
 ASSI { 3471}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 97   and name HE21))
      2.600     0.900     0.900 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.780 ppm2      6.673 CV     1
 ASSI { 3034}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.978 ppm2      8.765 CV     1
 ASSI { 3151}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.253 ppm2      8.175 CV     1
 ASSI { 3476}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      2.700     0.900     0.900 peak  3476 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      9.309 ppm2      6.926 CV     1
 ASSI { 2902}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.921 ppm2      9.104 CV     1
 ASSI { 2614}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.500 ppm2      7.761 CV     1
 ASSI { 3124}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.021 ppm2      9.068 CV     1
 OR { 3124}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 3496}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.897 ppm2     10.991 CV     1
 ASSI { 2379}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      7.576 ppm2      8.113 CV     1
 ASSI { 3501}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HE1 ))
      3.100     3.100     2.900 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.231 ppm2      9.998 CV     1
 ASSI { 2884}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.100     1.100 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.143 ppm2      8.458 CV     1
 ASSI { 3483}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.100     1.100 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.257 ppm2      6.382 CV     1
 ASSI { 3484}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HD22))
      3.000     1.100     1.100 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.253 ppm2      6.827 CV     1
 ASSI { 3557}
   (  segid "    " and resid 80   and name HD1%)
   (  segid "    " and resid 71   and name HD% )
      2.200     2.200     3.800 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1     -0.210 ppm2      7.292 CV     1
 ASSI { 3248}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 115  and name HN  ))
      2.800     0.900     0.900 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.416 ppm2      7.999 CV     1
 ASSI { 3485}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HE22))
      3.200     1.200     1.200 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.777 ppm2      7.381 CV     1
 ASSI { 3487}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HE22))
      3.000     1.100     1.100 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.324 ppm2      7.382 CV     1
 ASSI { 2981}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.683 ppm2      8.288 CV     1
 ASSI { 2832}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.172 ppm2      9.128 CV     1
 ASSI { 3490}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      2.900     2.900     3.100 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1     -0.304 ppm2      9.110 CV     1
 ASSI { 3075}
   (( segid "    " and resid 94   and name HA1 ))
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.100     1.100 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1      3.728 ppm2     11.441 CV     1
 ASSI { 3077}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.400     3.400     2.600 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1      4.212 ppm2     11.441 CV     1
 ASSI { 2533}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.354 ppm2      7.281 CV     1
 ASSI { 2641}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.871 ppm2      7.723 CV     1
 ASSI { 2930}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.900     1.000     1.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      4.281 ppm2      7.931 CV     1
 ASSI { 3502}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD21))
      2.800     1.000     1.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.914 ppm2      7.395 CV     1
 ASSI { 2992}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.640 ppm2      7.828 CV     1
 ASSI { 3505}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      2.700     0.900     0.900 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      8.176 ppm2      6.913 CV     1
 ASSI { 3506}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 91   and name HE% )
      3.000     1.100     1.100 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.573 ppm2      6.757 CV     1
 ASSI { 2799}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      8.222 ppm2      7.436 CV     1
 ASSI { 2811}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      4.562 ppm2      7.275 CV     1
 ASSI { 3500}
   (( segid "    " and resid 75   and name HE1 ))
   (  segid "    " and resid 20   and name HD% )
      2.700     0.900     0.900 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      9.998 ppm2      6.926 CV     1
 ASSI { 2662}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.671 ppm2      7.723 CV     1
 ASSI { 2502}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      5.075 ppm2      8.571 CV     1
 ASSI { 3510}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HE% )
      3.100     1.200     1.200 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.808 ppm2      6.793 CV     1
 ASSI { 2401}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      7.969 ppm2      8.411 CV     1
 ASSI { 3101}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.600     0.900     0.900 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1     11.441 ppm2      6.821 CV     1
 ASSI { 2434}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.526 ppm2      7.739 CV     1
 ASSI { 2671}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.571 ppm2      7.640 CV     1
 ASSI { 2562}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.858 ppm2      9.018 CV     1
 ASSI { 3455}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 75   and name HE1 ))
      2.600     0.900     0.900 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.143 ppm2      9.998 CV     1
 ASSI { 3525}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.391 ppm2      8.628 CV     1
 ASSI { 2982}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.124 ppm2      8.288 CV     1
 ASSI { 3521}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      5.080 ppm2      9.023 CV     1
 ASSI { 2707}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.400     1.400 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.930 ppm2      8.312 CV     1
 ASSI { 2810}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.562 ppm2      9.107 CV     1
 ASSI { 3522}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      5.151 ppm2      8.171 CV     1
 ASSI { 3400}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      3.500     1.500     1.500 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.103 ppm2      8.875 CV     1
 ASSI { 2633}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.288 ppm2      7.520 CV     1
 ASSI { 3242}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.700     0.900     0.900 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      8.168 ppm2      8.442 CV     1
 ASSI { 3524}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      2.900     1.000     1.000 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.686 ppm2      6.389 CV     1
 ASSI { 2415}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      7.880 ppm2      8.411 CV     1
 ASSI { 3122}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.309 ppm2      9.068 CV     1
 ASSI { 3046}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      3.200     1.300     1.300 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.058 ppm2      8.748 CV     1
 ASSI { 3202}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.26734E-02 ppm1      4.372 ppm2      8.472 CV     1
 ASSI { 2378}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.796 ppm2      7.576 CV     1
 ASSI { 3054}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.925 ppm2      7.518 CV     1
 ASSI { 3528}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.736 ppm2      7.572 CV     1
 ASSI { 3185}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.900     0.900 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.759 ppm2      7.253 CV     1
 ASSI { 3530}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 35   and name HE22))
      2.700     0.900     0.900 peak  3530 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.666 ppm2      7.066 CV     1
 ASSI { 4076}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  4076 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.751 ppm2      8.228 CV     1
 ASSI { 2421}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     2.700     3.300 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.008 ppm2      7.739 CV     1
 ASSI { 3531}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.489 ppm2      8.931 CV     1
 ASSI { 2847}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.500     1.500 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.757 ppm2      7.556 CV     1
 ASSI { 3533}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 75   and name HE3 ))
      2.900     1.000     1.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1     -0.310 ppm2      7.038 CV     1
 ASSI { 2848}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.250 ppm2      7.556 CV     1
 ASSI { 3614}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 20   and name HE% )
      3.100     1.200     1.200 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.204 ppm2      6.322 CV     1
 ASSI { 2534}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.386 ppm2      7.281 CV     1
 ASSI { 3540}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.795 ppm2      8.502 CV     1
 OR { 3540}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 2625}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.300     1.300 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.085 ppm2      7.184 CV     1
 ASSI { 2921}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.504 ppm2      9.098 CV     1
 ASSI { 3025}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.700     0.900     0.900 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.138 ppm2      8.748 CV     1
 ASSI { 3548}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 92   and name HE21))
      2.800     1.000     1.000 peak  3548 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.979 ppm2      6.871 CV     1
 ASSI { 3549}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.977 ppm2      7.396 CV     1
 ASSI { 3550}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HE22))
      3.100     1.200     1.200 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.228 ppm2      7.149 CV     1
 ASSI { 3084}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.800     1.000     1.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.191 ppm2      6.821 CV     1
 ASSI { 2395}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.018 ppm2      7.969 CV     1
 ASSI { 3588}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      3.400     1.500     1.500 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.021 ppm2      8.721 CV     1
 ASSI { 3201}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.100     1.200     1.200 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      7.530 ppm2      8.472 CV     1
 ASSI { 3560}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 101  and name HN  ))
      2.900     1.000     1.000 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.976 ppm2      8.228 CV     1
 ASSI { 3563}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HD21))
      2.600     0.800     0.800 peak  3563 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.906 ppm2      7.401 CV     1
 ASSI { 3569}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     3.100     2.900 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.009 ppm2      8.109 CV     1
 ASSI { 3602}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.826 ppm2      8.501 CV     1
 ASSI { 3140}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
      3.300     1.400     1.400 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.953 ppm2      8.564 CV     1
 ASSI { 3570}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 97   and name HE22))
      2.900     1.100     1.100 peak  3570 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.799 ppm2      7.210 CV     1
 ASSI { 2420}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     0.900     0.900 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.008 ppm2      7.929 CV     1
 ASSI { 2521}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.406 ppm2      7.196 CV     1
 ASSI { 3012}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     0.900     0.900 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      8.505 ppm2      7.828 CV     1
 ASSI { 3044}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.700     0.900     0.900 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.621 ppm2      8.748 CV     1
 ASSI { 3571}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HE22))
      3.400     1.400     1.400 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.577 ppm2      7.388 CV     1
 ASSI { 2706}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.835 ppm2      8.312 CV     1
 ASSI { 3053}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.900     0.900 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      8.748 ppm2      7.518 CV     1
 ASSI { 3576}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.939 ppm2      7.565 CV     1
 ASSI { 3578}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.910 ppm2      7.050 CV     1
 ASSI { 2607}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.958 ppm2      8.183 CV     1
 ASSI { 3579}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.982 ppm2      8.047 CV     1
 ASSI { 3584}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.800     0.900     0.900 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.979 ppm2      9.358 CV     1
 ASSI { 2802}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      7.436 ppm2      7.817 CV     1
 ASSI { 2796}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      8.222 ppm2      7.759 CV     1
 ASSI { 2765}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.586 ppm2      7.015 CV     1
 ASSI { 2823}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.043 ppm2      7.920 CV     1
 ASSI { 3035}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.978 ppm2      7.518 CV     1
 ASSI { 3592}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 49   and name HE% )
      2.800     1.000     1.000 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.935 ppm2      6.791 CV     1
 ASSI { 3594}
   (  segid "    " and resid 91   and name HD% )
   (( segid "    " and resid 92   and name HN  ))
      2.800     0.900     0.900 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      6.913 ppm2      8.755 CV     1
 ASSI { 2573}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     2.800     3.200 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.908 ppm2      8.439 CV     1
 ASSI { 2615}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.500 ppm2      7.707 CV     1
 ASSI { 3015}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      8.505 ppm2      8.051 CV     1
 ASSI { 2683}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      7.877 ppm2      7.642 CV     1
 ASSI { 2839}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.860 ppm2      7.676 CV     1
 ASSI { 3597}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 75   and name HZ3 ))
      2.800     1.000     1.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1     -0.308 ppm2      7.210 CV     1
 ASSI { 4064}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.677 ppm2      7.485 CV     1
 ASSI { 3595}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      5.835 ppm2      8.947 CV     1
 ASSI { 2519}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.900     0.900 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.765 ppm2      7.196 CV     1
 ASSI { 3599}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.024 ppm2     10.993 CV     1
 ASSI { 3104}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.800     1.000     1.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.971 ppm2      6.821 CV     1
 ASSI { 3615}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 20   and name HE% )
      2.200     2.200     3.800 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.954 ppm2      6.322 CV     1
 ASSI { 3167}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.210 ppm2      7.253 CV     1
 ASSI { 3604}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HE22))
      2.700     0.900     0.900 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.979 ppm2      7.382 CV     1
 ASSI { 3098}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1     11.441 ppm2      7.287 CV     1
 ASSI { 3523}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      7.050 ppm2      9.722 CV     1
 ASSI { 3113}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.092 ppm2      8.228 CV     1
 ASSI { 3148}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.800     1.000     1.000 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.104 ppm2      8.175 CV     1
 ASSI { 2531}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.126 ppm2      7.281 CV     1
 ASSI { 3138}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.050 ppm2      8.564 CV     1
 ASSI { 3639}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 54   and name HN  ))
      3.100     3.100     2.900 peak  3639 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      1.558 ppm2      7.050 CV     1
 ASSI { 2814}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      9.107 ppm2      7.817 CV     1
 ASSI { 3158}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.283 ppm2      8.628 CV     1
 ASSI { 2643}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.069 ppm2      9.124 CV     1
 ASSI { 3017}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.100     1.100 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.864 ppm2      8.765 CV     1
 ASSI { 3619}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HE22))
      3.000     1.100     1.100 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.462 ppm2      7.382 CV     1
 ASSI { 3620}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      2.700     0.900     0.900 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      8.307 ppm2      6.911 CV     1
 ASSI { 2652}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.214 ppm2      7.520 CV     1
 ASSI { 3627}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      0.912 ppm2      9.463 CV     1
 ASSI { 2660}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.298 ppm2      7.724 CV     1
 ASSI { 2955}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      9.023 ppm2      6.385 CV     1
 ASSI { 3629}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      0.824 ppm2      8.929 CV     1
 ASSI { 3611}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 75   and name HE1 ))
      2.700     0.900     0.900 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1     -0.208 ppm2      9.998 CV     1
 ASSI { 2958}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      1.558 ppm2      6.383 CV     1
 ASSI { 3023}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      8.051 ppm2      8.875 CV     1
 ASSI { 3085}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
      2.600     0.900     0.900 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.985 ppm2      7.287 CV     1
 ASSI { 2785}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      2.839 ppm2      7.759 CV     1
 ASSI { 3646}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.700     0.900     0.900 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      9.998 ppm2      7.403 CV     1
 ASSI { 2613}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      8.183 ppm2      7.761 CV     1
 ASSI { 3631}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      7.288 ppm2      8.316 CV     1
 ASSI { 3635}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1     -0.208 ppm2      9.025 CV     1
 ASSI { 2822}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.900     0.900 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.985 ppm2      7.920 CV     1
 ASSI { 3211}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 110  and name HN  ))
      2.700     0.900     0.900 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.911 ppm2      8.500 CV     1
 ASSI { 4112}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  4112 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.063 ppm2      8.222 CV     1
 ASSI { 2602}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.670 ppm2      8.015 CV     1
 ASSI { 3162}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      8.633 ppm2      8.175 CV     1
 ASSI { 3650}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.751 ppm2      7.290 CV     1
 ASSI { 3651}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 35   and name HE21))
      2.800     1.000     1.000 peak  3651 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      0.730 ppm2      6.712 CV     1
 ASSI { 3825}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 47   and name HE% )
      2.600     0.900     0.900 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.064 ppm2      7.093 CV     1
 ASSI { 4072}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      2.672 ppm2      9.082 CV     1
 ASSI { 3221}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
      2.800     2.800     3.200 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.940 ppm2      8.414 CV     1
 ASSI { 3129}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      9.068 ppm2      8.228 CV     1
 ASSI { 3147}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      8.564 ppm2      8.175 CV     1
 ASSI { 3047}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.364 ppm2      8.748 CV     1
 ASSI { 2541}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.670 ppm2      8.705 CV     1
 ASSI { 4085}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak  4085 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      8.923 ppm2      9.678 CV     1
 ASSI { 3192}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.800     1.000     1.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.654 ppm2      7.530 CV     1
 ASSI { 3001}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.944 ppm2      8.051 CV     1
 ASSI { 3132}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.167 ppm2      8.228 CV     1
 ASSI { 3719}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      6.825 ppm2      9.068 CV     1
 ASSI { 3674}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 65   and name HE% )
      3.200     3.200     2.800 peak  3674 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.803 ppm2      6.663 CV     1
 ASSI { 3182}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.700     0.900     0.900 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.972 ppm2      7.253 CV     1
 ASSI { 3677}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.204 ppm2      8.947 CV     1
 ASSI { 2803}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.345 ppm2      7.817 CV     1
 ASSI { 3678}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 47   and name HD% )
      2.700     0.900     0.900 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.248 ppm2      7.279 CV     1
 ASSI { 2995}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      7.828 ppm2      8.288 CV     1
 ASSI { 2813}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      2.028 ppm2      9.107 CV     1
 ASSI { 3137}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      8.228 ppm2      8.564 CV     1
 ASSI { 2608}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.958 ppm2      7.184 CV     1
 ASSI { 3683}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.100     3.100     2.900 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      4.095 ppm2     11.439 CV     1
 ASSI { 3212}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 110  and name HN  ))
      2.800     1.000     1.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.941 ppm2      8.500 CV     1
 ASSI { 2689}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.800     0.800 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      1.471 ppm2      9.059 CV     1
 ASSI { 2734}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.200     1.200 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      1.704 ppm2      8.925 CV     1
 ASSI { 3115}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 99   and name HN  ))
      2.800     1.000     1.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.167 ppm2      7.819 CV     1
 ASSI { 3027}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.216 ppm2      8.875 CV     1
 ASSI { 3697}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  3697 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.889 ppm2      7.822 CV     1
 ASSI { 2413}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.135 ppm2      7.880 CV     1
 ASSI { 3701}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.000     1.000 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      2.535 ppm2      8.222 CV     1
 ASSI { 3976}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     3.000     3.000 peak  3976 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      1.630 ppm2      8.286 CV     1
 ASSI { 2582}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      3.478 ppm2      9.674 CV     1
 ASSI { 2837}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HE3 ))
      3.300     3.300     2.700 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      9.128 ppm2      7.676 CV     1
 ASSI { 2945}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.917 ppm2      9.023 CV     1
 ASSI { 3033}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      8.875 ppm2      8.765 CV     1
 ASSI { 2639}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      7.707 ppm2      9.124 CV     1
 ASSI { 3715}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1     -0.209 ppm2      6.382 CV     1
 ASSI { 2622}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      3.966 ppm2      7.184 CV     1
 ASSI { 3704}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 68   and name HE1 ))
      2.900     2.900     3.100 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      2.237 ppm2      9.592 CV     1
 ASSI { 2750}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      1.548 ppm2      9.104 CV     1
 ASSI { 3037}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      2.900     1.100     1.100 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      2.890 ppm2      8.765 CV     1
 ASSI { 3728}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak  3728 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      7.286 ppm2      7.824 CV     1
 ASSI { 3729}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 55   and name HD21))
      2.800     1.000     1.000 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      0.823 ppm2      7.604 CV     1
 ASSI { 3730}
   (( segid "    " and resid 68   and name HE1 ))
   (( segid "    " and resid 68   and name HZ2 ))
      2.700     0.900     0.900 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      9.594 ppm2      7.533 CV     1
 ASSI { 3079}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      7.920 ppm2      7.665 CV     1
 ASSI { 3121}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.900     0.900 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      7.819 ppm2      9.068 CV     1
 ASSI { 3656}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 75   and name HZ3 ))
      2.800     1.000     1.000 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      0.826 ppm2      7.215 CV     1
 ASSI { 3086}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 96   and name HN  ))
      3.000     1.100     1.100 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.021 ppm2      7.287 CV     1
 ASSI { 3745}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak  3745 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      3.572 ppm2      7.923 CV     1
 ASSI { 2495}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      3.238 ppm2      9.463 CV     1
 ASSI { 3174}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.800     1.000     1.000 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      4.134 ppm2      7.565 CV     1
 ASSI { 3739}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      1.704 ppm2      9.463 CV     1
 ASSI { 3726}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      2.800     2.800     3.200 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      0.333 ppm2      9.358 CV     1
 ASSI { 4083}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak  4083 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      4.545 ppm2      9.675 CV     1
 ASSI { 2749}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.913 ppm2      7.015 CV     1
 ASSI { 3667}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 75   and name HE1 ))
      2.700     0.900     0.900 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1     -0.304 ppm2      9.998 CV     1
 ASSI { 2947}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1     -0.466 ppm2      9.023 CV     1
 ASSI { 2609}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.424 ppm2      8.183 CV     1
 ASSI { 3698}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      2.298 ppm2      8.875 CV     1
 ASSI { 2990}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.320 ppm2      7.828 CV     1
 ASSI { 2449}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.154 ppm2      6.973 CV     1
 ASSI { 3204}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
      2.600     0.900     0.900 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.925 ppm2      8.472 CV     1
 OR { 3204}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 3772}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 15   and name HD22))
      2.900     2.900     3.100 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      0.492 ppm2      8.701 CV     1
 ASSI { 3773}
   (( segid "    " and resid 75   and name HH2 ))
   (( segid "    " and resid 75   and name HE1 ))
      3.000     3.000     3.000 peak  3773 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      7.177 ppm2      9.998 CV     1
 OR { 3773}
   (( segid "    " and resid 75   and name HZ3 ))
   (( segid "    " and resid 75   and name HE1 ))
 ASSI { 3984}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.396 ppm2      9.300 CV     1
 ASSI { 3824}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      3.100     3.100     2.900 peak  3824 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      2.677 ppm2      7.565 CV     1
 ASSI { 2918}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.519 ppm2      9.098 CV     1
 ASSI { 3149}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.800     2.800     3.200 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.104 ppm2      7.770 CV     1
 ASSI { 3897}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      2.700     2.700     3.300 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1     -0.304 ppm2      6.933 CV     1
 ASSI { 3706}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      0.231 ppm2      9.463 CV     1
 ASSI { 3799}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 68   and name HE1 ))
      2.900     2.900     3.100 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.872 ppm2      9.590 CV     1
 ASSI { 2600}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.981 ppm2      8.023 CV     1
 ASSI { 3801}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      0.688 ppm2      8.222 CV     1
 ASSI { 2829}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.206 ppm2      9.128 CV     1
 ASSI { 2833}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      9.128 ppm2      7.920 CV     1
 ASSI { 2864}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      6.298 ppm2      8.721 CV     1
 ASSI { 2601}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.981 ppm2      7.761 CV     1
 ASSI { 3807}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      7.403 ppm2      6.298 CV     1
 ASSI { 3810}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.700 ppm2      8.632 CV     1
 ASSI { 3247}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.800     1.000     1.000 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.349 ppm2      7.999 CV     1
 ASSI { 3815}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 92   and name HE22))
      2.800     2.800     3.200 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      4.141 ppm2      7.383 CV     1
 ASSI { 2892}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      5.356 ppm2      9.972 CV     1
 ASSI { 2436}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.441 ppm2      7.739 CV     1
 ASSI { 2552}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     2.900     3.100 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      3.393 ppm2      7.322 CV     1
 ASSI { 3131}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.800     1.000     1.000 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.751 ppm2      8.175 CV     1
 ASSI { 2448}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      8.031 ppm2      6.973 CV     1
 ASSI { 2402}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.400 ppm2      8.411 CV     1
 ASSI { 2468}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     2.900     3.100 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.974 ppm2      9.358 CV     1
 ASSI { 3114}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      2.600     0.800     0.800 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      2.102 ppm2      7.819 CV     1
 ASSI { 2544}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      2.001 ppm2      8.705 CV     1
 ASSI { 3083}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      4.191 ppm2      7.287 CV     1
 ASSI { 3884}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HD21))
      2.600     0.900     0.900 peak  3884 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.542 ppm2      7.395 CV     1
 ASSI { 3010}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 88   and name HN  ))
      2.600     0.900     0.900 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      2.122 ppm2      8.505 CV     1
 ASSI { 3896}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.200     2.200     3.800 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      2.621 ppm2      8.645 CV     1
 ASSI { 3082}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      7.926 ppm2      7.283 CV     1
 ASSI { 3816}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.200     1.200 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      5.081 ppm2      7.931 CV     1
 ASSI { 2484}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      5.502 ppm2      9.297 CV     1
 ASSI { 3868}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 9    and name HN  ))
      2.800     2.800     3.200 peak  3868 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      6.667 ppm2      8.404 CV     1
 ASSI { 3141}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 102  and name HN  ))
      2.600     0.800     0.800 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      2.107 ppm2      8.564 CV     1
 ASSI { 2571}
   (( segid "    " and resid 31   and name HA1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     2.900     3.100 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.844 ppm2      8.439 CV     1
 ASSI { 3176}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.526 ppm2      7.565 CV     1
 ASSI { 3873}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.100     1.100 peak  3873 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.196 ppm2      9.358 CV     1
 ASSI { 3876}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 23   and name HN  ))
      3.100     3.100     2.900 peak  3876 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.593 ppm2      8.905 CV     1
 ASSI { 2433}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      8.049 ppm2      7.739 CV     1
 ASSI { 2933}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      7.931 ppm2      9.104 CV     1
 ASSI { 3821}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      3.000     3.000     3.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.408 ppm2      6.322 CV     1
 ASSI { 3888}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD21))
      2.700     0.900     0.900 peak  3888 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      7.043 ppm2      7.603 CV     1
 ASSI { 3889}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HE22))
      3.700     1.800     1.800 peak  3889 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      2.019 ppm2      7.381 CV     1
 ASSI { 3910}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     2.800     3.200 peak  3910 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      2.328 ppm2      8.015 CV     1
 ASSI { 3765}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak  3765 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      9.972 ppm2      9.358 CV     1
 ASSI { 3829}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak  3829 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.524 ppm2      7.050 CV     1
 ASSI { 3890}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  3890 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.542 ppm2      8.947 CV     1
 ASSI { 3919}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 75   and name HE1 ))
      2.800     2.800     3.200 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      6.322 ppm2      9.998 CV     1
 ASSI { 3870}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HE21))
      2.500     0.800     0.800 peak  3870 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      2.106 ppm2      6.759 CV     1
 ASSI { 3895}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      2.800     2.800     3.200 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.730 ppm2      7.634 CV     1
 ASSI { 2616}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      2.081 ppm2      7.761 CV     1
 ASSI { 3863}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak  3863 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      4.570 ppm2      9.722 CV     1
 ASSI { 3901}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HE% )
      3.100     3.100     2.900 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      3.053 ppm2      6.798 CV     1
 ASSI { 3159}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      3.000     1.100     1.100 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      4.283 ppm2      7.565 CV     1
 ASSI { 4078}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  4078 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      8.173 ppm2      8.947 CV     1
 ASSI { 3904}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak  3904 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      3.852 ppm2      8.228 CV     1
 ASSI { 3105}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 98   and name HN  ))
      2.900     2.900     3.100 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      2.115 ppm2      6.821 CV     1
 ASSI { 3917}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  3917 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      7.198 ppm2      8.703 CV     1
 ASSI { 3908}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      3.000     3.000     3.000 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.332 ppm2      8.314 CV     1
 ASSI { 3045}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      4.621 ppm2      7.665 CV     1
 ASSI { 2742}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.920 ppm2      9.722 CV     1
 OR { 2742}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2910}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.900     0.900 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      5.255 ppm2     10.991 CV     1
 ASSI { 4053}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 89   and name HN  ))
      3.200     3.200     2.800 peak  4053 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.732 ppm2      8.051 CV     1
 ASSI { 2505}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.600     1.600 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.211 ppm2      8.571 CV     1
 ASSI { 3942}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 20   and name HE% )
      2.800     1.000     1.000 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.286 ppm2      6.322 CV     1
 ASSI { 2820}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      4.189 ppm2      7.920 CV     1
 ASSI { 2383}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      3.989 ppm2      7.627 CV     1
 ASSI { 4050}
   (  segid "    " and resid 60   and name HB% )
   (  segid "    " and resid 71   and name HE% )
      3.000     3.000     3.000 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.612 ppm2      7.351 CV     1
 ASSI { 3925}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HD22))
      3.200     1.300     1.300 peak  3925 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.525 ppm2      7.500 CV     1
 ASSI { 3926}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  3926 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      6.920 ppm2      8.929 CV     1
 ASSI { 3927}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 47   and name HD% )
      2.800     1.000     1.000 peak  3927 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      5.834 ppm2      7.281 CV     1
 ASSI { 2377}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      3.493 ppm2      7.969 CV     1
 ASSI { 3076}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      4.212 ppm2      7.920 CV     1
 ASSI { 3943}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.100     3.100     2.900 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      4.216 ppm2      8.171 CV     1
 ASSI { 3150}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      2.086 ppm2      8.175 CV     1
 ASSI { 3945}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 75   and name HZ3 ))
      2.700     0.900     0.900 peak  3945 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1     -0.468 ppm2      7.215 CV     1
 ASSI { 2782}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      4.445 ppm2      7.759 CV     1
 ASSI { 3950}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.100     1.100 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.878 ppm2      8.502 CV     1
 ASSI { 3951}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.000     1.100     1.100 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1     -0.209 ppm2      7.033 CV     1
 ASSI { 3795}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      3.300     1.300     1.300 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      5.159 ppm2      7.292 CV     1
 ASSI { 3960}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.900     1.100     1.100 peak  3960 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      4.624 ppm2     11.443 CV     1
 ASSI { 3240}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 114  and name HN  ))
      2.800     1.000     1.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.740 ppm2      8.168 CV     1
 ASSI { 3356}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HE21))
      2.800     1.000     1.000 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.467 ppm2      6.759 CV     1
 ASSI { 3093}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.800     1.000     1.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      3.979 ppm2     11.441 CV     1
 ASSI { 3969}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.100     1.100 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      3.494 ppm2      8.409 CV     1
 ASSI { 2792}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      3.408 ppm2      8.222 CV     1
 ASSI { 3968}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 90   and name HN  ))
      2.900     2.900     3.100 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.013 ppm2      8.875 CV     1
 ASSI { 3305}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.204 ppm2      8.172 CV     1
 ASSI { 3787}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 75   and name HH2 ))
      2.700     0.900     0.900 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1     -0.470 ppm2      7.183 CV     1
 ASSI { 3264}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HE21))
      3.000     1.100     1.100 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.223 ppm2      6.789 CV     1
 ASSI { 3980}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.688 ppm2      7.011 CV     1
 ASSI { 4055}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 107  and name HE% )
      3.200     1.200     1.200 peak  4055 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.677 ppm2      6.791 CV     1
 ASSI { 3982}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      3.000     3.000     3.000 peak  3982 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.441 ppm2      7.670 CV     1
 ASSI { 3283}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 65   and name HD% )
      3.000     1.100     1.100 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      3.478 ppm2      6.968 CV     1
 ASSI { 3822}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 75   and name HE3 ))
      3.100     1.200     1.200 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      4.287 ppm2      7.038 CV     1
 ASSI { 3991}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.200     3.200     2.800 peak  3991 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.355 ppm2      6.385 CV     1
 ASSI { 3993}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      5.356 ppm2      9.294 CV     1
 ASSI { 4003}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak  4003 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1     -0.307 ppm2      7.738 CV     1
 ASSI { 4005}
   (  segid "    " and resid 80   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      2.200     2.200     3.800 peak  4005 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1     -0.211 ppm2      6.926 CV     1
 ASSI { 3175}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.700     0.900     0.900 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      4.134 ppm2      7.530 CV     1
 ASSI { 4007}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  4007 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      5.256 ppm2      9.358 CV     1
 ASSI { 2845}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      4.286 ppm2      7.556 CV     1
 ASSI { 4013}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.000     1.000 peak  4013 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.218 ppm2      7.823 CV     1
 OR { 4013}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 4014}
   (( segid "    " and resid 92   and name HB3 ))
   (  segid "    " and resid 91   and name HD% )
      3.300     3.300     2.700 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.396 ppm2      6.912 CV     1
 ASSI { 3572}
   (  segid "    " and resid 71   and name HD% )
   (  segid "    " and resid 20   and name HE% )
      3.000     3.000     3.000 peak  3572 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      7.307 ppm2      6.327 CV     1
 ASSI { 4017}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      8.178 ppm2      9.463 CV     1
 ASSI { 3755}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 71   and name HE% )
      2.900     1.000     1.000 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.22855E-02 ppm1      0.913 ppm2      7.351 CV     1
 ASSI { 4021}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  4021 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.765 ppm2      8.708 CV     1
 ASSI { 4025}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.100     3.100     2.900 peak  4025 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.372 ppm2      7.254 CV     1
 ASSI { 2680}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.111 ppm2      7.870 CV     1
 ASSI { 4026}
   (( segid "    " and resid 68   and name HH2 ))
   (( segid "    " and resid 68   and name HE1 ))
      3.100     3.100     2.900 peak  4026 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      7.268 ppm2      9.587 CV     1
 ASSI { 4029}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak  4029 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.588 ppm2      8.570 CV     1
 ASSI { 4036}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 89   and name HN  ))
      3.000     3.000     3.000 peak  4036 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      0.904 ppm2      8.051 CV     1
 ASSI { 4032}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak  4032 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.631 ppm2     10.989 CV     1
 ASSI { 3195}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 108  and name HN  ))
      3.000     1.100     1.100 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.413 ppm2      7.530 CV     1
 ASSI { 3194}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      2.600     0.900     0.900 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.677 ppm2      7.530 CV     1
 ASSI { 4037}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      2.800     1.000     1.000 peak  4037 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      4.849 ppm2      6.914 CV     1
 ASSI { 3290}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      5.532 ppm2      9.463 CV     1
 ASSI { 4040}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 91   and name HE% )
      3.100     3.100     2.900 peak  4040 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.053 ppm2      6.758 CV     1
 ASSI { 2385}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.146 ppm2      7.627 CV     1
 ASSI { 2443}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      1.469 ppm2      8.031 CV     1
 ASSI { 2640}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.871 ppm2      9.124 CV     1
 ASSI { 3231}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.800     1.000     1.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.940 ppm2      8.442 CV     1
 ASSI { 4056}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  4056 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      0.791 ppm2      6.386 CV     1
 ASSI { 3317}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      3.300     1.400     1.400 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      0.335 ppm2      9.116 CV     1
 ASSI { 3345}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.100     1.100 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.635 ppm2      6.387 CV     1
 ASSI { 4048}
   (( segid "    " and resid 88   and name HG13))
   (( segid "    " and resid 35   and name HE22))
      3.000     3.000     3.000 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.746 ppm2      7.093 CV     1
 ASSI { 4058}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HE21))
      2.800     1.000     1.000 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.525 ppm2      6.841 CV     1
 ASSI {  196}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HE  ))
      2.900     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.22960E-02 ppm1      1.661 ppm2      7.398 CV     1
 ASSI { 1091}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.857 ppm2      7.759 CV     1
 ASSI { 2141}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HN  ))
      3.400     1.400     1.400 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.651 ppm2      7.565 CV     1
 ASSI { 1555}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HN  ))
      2.600     0.800     0.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      1.630 ppm2      7.828 CV     1
 ASSI {  449}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.597 ppm2      9.463 CV     1
 ASSI {  471}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.710 ppm2      7.196 CV     1
 ASSI {  394}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      5.502 ppm2      8.947 CV     1
 ASSI {   31}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.460 ppm2      8.113 CV     1
 ASSI { 2353}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 114  and name HN  ))
      2.600     0.900     0.900 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      1.416 ppm2      8.168 CV     1
 ASSI { 1360}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      5.082 ppm2      9.972 CV     1
 ASSI { 2168}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.858 ppm2      7.565 CV     1
 ASSI { 1412}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.000     1.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.504 ppm2     10.991 CV     1
 ASSI {  608}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.478 ppm2      8.917 CV     1
 ASSI {  353}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      5.003 ppm2      9.358 CV     1
 ASSI { 1293}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.500     0.800     0.800 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.727 ppm2      8.721 CV     1
 ASSI {  803}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.812 ppm2      7.723 CV     1
 ASSI {  414}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.064 ppm2      8.947 CV     1
 ASSI { 1238}
   (( segid "    " and resid 68   and name HZ3 ))
   (( segid "    " and resid 68   and name HH2 ))
      2.700     0.900     0.900 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.26210E-02 ppm1      7.061 ppm2      7.269 CV     1
 ASSI {  941}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.548 ppm2      9.722 CV     1
 ASSI { 1319}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.100     1.100 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.209 ppm2      9.082 CV     1
 ASSI {  437}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      5.075 ppm2      9.463 CV     1
 ASSI { 1332}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      5.356 ppm2      8.458 CV     1
 ASSI { 1352}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.893 ppm2      8.458 CV     1
 ASSI { 1228}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.967 ppm2      7.556 CV     1
 ASSI {  575}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      3.435 ppm2      8.706 CV     1
 ASSI { 2346}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
      3.000     1.200     1.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.740 ppm2      8.442 CV     1
 ASSI { 1965}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      1.601 ppm2      9.068 CV     1
 ASSI { 1471}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
      3.200     1.300     1.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1     -0.214 ppm2      8.024 CV     1
 ASSI { 2123}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HN  ))
      3.300     1.400     1.400 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.813 ppm2      7.565 CV     1
 ASSI { 1641}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.720 ppm2      8.505 CV     1
 ASSI { 1409}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.344 ppm2     10.991 CV     1
 ASSI { 1080}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      3.000     1.100     1.100 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.839 ppm2      9.026 CV     1
 ASSI { 2019}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.752 ppm2      8.222 CV     1
 ASSI { 1507}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.860 ppm2      6.385 CV     1
 ASSI {  895}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.200     1.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.810 ppm2      8.306 CV     1
 ASSI { 1767}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
      3.100     1.200     1.200 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.883 ppm2      7.518 CV     1
 ASSI {  483}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.126 ppm2      7.485 CV     1
 ASSI { 1051}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.311 ppm2      7.015 CV     1
 ASSI {  359}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.292 ppm2      9.358 CV     1
 ASSI {  587}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.858 ppm2      7.322 CV     1
 ASSI { 2367}
   (( segid "    " and resid 115  and name HB3 ))
   (( segid "    " and resid 115  and name HN  ))
      2.700     0.900     0.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.017 ppm2      7.999 CV     1
 ASSI {  428}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   428 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.238 ppm2      9.297 CV     1
 ASSI {   37}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.808 ppm2      8.113 CV     1
 ASSI {  597}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      3.908 ppm2      9.018 CV     1
 ASSI { 1433}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.206 ppm2      7.931 CV     1
 ASSI { 1971}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      3.000     1.100     1.100 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.780 ppm2      9.068 CV     1
 ASSI { 1077}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.780 ppm2      9.026 CV     1
 ASSI {  235}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   235 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.164 ppm2      8.049 CV     1
 ASSI {  409}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   409 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      0.871 ppm2      8.947 CV     1
 ASSI {  845}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.900     0.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.581 ppm2      9.059 CV     1
 ASSI { 1234}
   (( segid "    " and resid 68   and name HE3 ))
   (( segid "    " and resid 68   and name HH2 ))
      2.900     2.900     3.100 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      7.672 ppm2      7.269 CV     1
 ASSI {  977}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      4.148 ppm2      9.104 CV     1
 ASSI { 1477}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HN  ))
      3.200     1.300     1.300 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.352 ppm2      8.024 CV     1
 ASSI { 1495}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.100     1.100 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.682 ppm2      9.023 CV     1
 ASSI { 2005}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 101  and name HN  ))
      3.100     1.200     1.200 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.592 ppm2      8.228 CV     1
 ASSI { 2257}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HN  ))
      2.800     1.000     1.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.269 ppm2      8.500 CV     1
 ASSI {  120}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   120 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.286 ppm2      7.969 CV     1
 ASSI { 1315}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.143 ppm2      9.082 CV     1
 ASSI {  907}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.693 ppm2      8.171 CV     1
 ASSI { 1567}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 86   and name HN  ))
      2.600     0.900     0.900 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.238 ppm2      7.828 CV     1
 ASSI { 1337}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     3.100     2.900 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.630 ppm2      8.458 CV     1
 ASSI { 1505}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.800     0.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.163 ppm2      6.385 CV     1
 ASSI { 1399}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.025 ppm2      9.103 CV     1
 ASSI { 1515}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.711 ppm2      8.812 CV     1
 ASSI {  935}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   935 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      3.913 ppm2      9.722 CV     1
 ASSI {  677}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.332 ppm2      7.761 CV     1
 ASSI {  740}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak   740 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      0.334 ppm2      7.707 CV     1
 ASSI {  983}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   983 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      1.491 ppm2      9.104 CV     1
 ASSI {   55}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak    55 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.233 ppm2      7.576 CV     1
 ASSI { 1841}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.900     1.100     1.100 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      2.267 ppm2      7.920 CV     1
 ASSI {  892}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.24847E-02 ppm1      5.834 ppm2      8.306 CV     1
 ASSI {  311}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      4.630 ppm2      7.764 CV     1
 ASSI { 1759}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.846 ppm2      7.518 CV     1
 ASSI { 1685}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.462 ppm2      8.875 CV     1
 ASSI { 1875}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.900     0.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.115 ppm2     11.441 CV     1
 ASSI {  862}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HE  ))
      2.700     0.900     0.900 peak   862 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.219 ppm2      7.195 CV     1
 OR {  862}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE  ))
 ASSI { 1437}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.277 ppm2      7.931 CV     1
 ASSI {  365}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.900     0.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.891 ppm2      9.358 CV     1
 ASSI {  749}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   749 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      0.551 ppm2      7.707 CV     1
 ASSI { 1672}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.445 ppm2      8.051 CV     1
 ASSI {  110}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.400 ppm2      7.969 CV     1
 ASSI {  989}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.476 ppm2      9.104 CV     1
 ASSI {   75}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.914 ppm2      7.627 CV     1
 ASSI {    7}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.493 ppm2      8.113 CV     1
 ASSI {  275}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   275 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.198 ppm2      8.031 CV     1
 ASSI { 1087}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.408 ppm2      7.759 CV     1
 ASSI { 1240}
   (( segid "    " and resid 68   and name HZ2 ))
   (( segid "    " and resid 68   and name HZ3 ))
      3.000     3.000     3.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      7.533 ppm2      7.061 CV     1
 ASSI { 1278}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.572 ppm2      6.302 CV     1
 ASSI {  915}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
      3.000     1.100     1.100 peak   915 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      0.491 ppm2      8.171 CV     1
 ASSI { 1366}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.196 ppm2      9.972 CV     1
 ASSI { 1447}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.917 ppm2      8.024 CV     1
 ASSI { 1054}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      2.511 ppm2      7.015 CV     1
 ASSI { 1806}
   (( segid "    " and resid 93   and name HD3 ))
   (( segid "    " and resid 93   and name HE  ))
      2.800     1.000     1.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      3.266 ppm2      7.759 CV     1
 ASSI {  534}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      1.547 ppm2      7.281 CV     1
 ASSI { 2263}
   (( segid "    " and resid 110  and name HG3 ))
   (( segid "    " and resid 110  and name HN  ))
      2.800     1.000     1.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.325 ppm2      8.500 CV     1
 ASSI {  461}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.765 ppm2      8.902 CV     1
 ASSI {  247}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1     -0.303 ppm2      8.049 CV     1
 ASSI { 1095}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.820 ppm2      7.759 CV     1
 ASSI { 1363}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.23484E-02 ppm1      2.921 ppm2      9.972 CV     1
 ASSI {  911}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.704 ppm2      8.171 CV     1
 ASSI { 2012}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 101  and name HN  ))
      3.200     1.300     1.300 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.692 ppm2      8.228 CV     1
 ASSI { 1214}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.250 ppm2      7.676 CV     1
 ASSI { 1023}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.846 ppm2      7.050 CV     1
 ASSI {  495}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak   495 spectrum    1 weight  0.10000E+01 volume  0.23484E-02 ppm1      1.386 ppm2      7.485 CV     1
 ASSI {  965}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      0.231 ppm2      9.722 CV     1
 ASSI {  145}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.861 ppm2      8.411 CV     1
 ASSI { 1387}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      5.255 ppm2      9.104 CV     1
 ASSI {   81}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.018 ppm2      7.627 CV     1
 ASSI { 1125}
   (( segid "    " and resid 61   and name HG3 ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.313 ppm2      7.817 CV     1
 OR { 1125}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1519}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.683 ppm2      8.812 CV     1
 ASSI {  995}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.663 ppm2      9.104 CV     1
 ASSI { 2293}
   (( segid "    " and resid 111  and name HB3 ))
   (( segid "    " and resid 111  and name HN  ))
      3.000     1.100     1.100 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.081 ppm2      8.414 CV     1
 ASSI { 1459}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.029 ppm2      8.024 CV     1
 ASSI {  489}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.23484E-02 ppm1      1.354 ppm2      7.485 CV     1
 ASSI {  919}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.23484E-02 ppm1      0.811 ppm2      8.171 CV     1
 ASSI {   51}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      2.146 ppm2      7.576 CV     1
 ASSI { 2072}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.393 ppm2      8.175 CV     1
 ASSI {  241}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.581 ppm2      8.049 CV     1
 ASSI { 1222}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.800     0.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      4.888 ppm2      7.556 CV     1
 ASSI {  704}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.871 ppm2      7.707 CV     1
 ASSI { 1048}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      5.385 ppm2      7.015 CV     1
 ASSI {  925}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      5.532 ppm2      8.925 CV     1
 ASSI {  217}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.526 ppm2      8.049 CV     1
 ASSI { 1689}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
      3.100     1.200     1.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.890 ppm2      8.875 CV     1
 ASSI { 1028}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.285 ppm2      7.050 CV     1
 ASSI { 1871}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.200     1.200 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.971 ppm2     11.441 CV     1
 ASSI { 1731}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HN  ))
      3.200     1.300     1.300 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.571 ppm2      8.748 CV     1
 ASSI { 2132}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.357 ppm2      7.565 CV     1
 ASSI { 1487}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.712 ppm2      9.023 CV     1
 ASSI { 1905}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.434 ppm2      6.821 CV     1
 ASSI { 1523}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.124 ppm2      8.812 CV     1
 ASSI {  872}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      4.994 ppm2      7.820 CV     1
 ASSI { 1164}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.551 ppm2      7.275 CV     1
 ASSI {  288}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.905 ppm2      6.973 CV     1
 ASSI { 1491}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.546 ppm2      9.023 CV     1
 ASSI {   19}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.738 ppm2      8.113 CV     1
 ASSI { 1573}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.080 ppm2      7.828 CV     1
 ASSI { 1799}
   (( segid "    " and resid 93   and name HD3 ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.300     1.300 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.266 ppm2      7.518 CV     1
 ASSI { 1453}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1     -0.466 ppm2      8.024 CV     1
 ASSI { 1854}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.979 ppm2      7.287 CV     1
 ASSI { 1910}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HN  ))
      3.100     1.200     1.200 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.479 ppm2      6.821 CV     1
 ASSI {  441}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.23589E-02 ppm1      2.080 ppm2      9.463 CV     1
 ASSI {   25}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.252 ppm2      8.113 CV     1
 ASSI { 1611}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.864 ppm2      8.505 CV     1
 ASSI { 1681}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.978 ppm2      8.875 CV     1
 ASSI { 1798}
   (( segid "    " and resid 93   and name HD2 ))
   (( segid "    " and resid 93   and name HE  ))
      2.700     0.900     0.900 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.205 ppm2      7.759 CV     1
 ASSI { 2363}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HN  ))
      2.800     1.000     1.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.901 ppm2      7.999 CV     1
 ASSI {  282}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      5.205 ppm2      6.973 CV     1
 ASSI { 1919}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.700     0.900     0.900 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.309 ppm2      7.819 CV     1
 ASSI {  285}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      1.919 ppm2      6.973 CV     1
 ASSI { 1549}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.944 ppm2      7.828 CV     1
 ASSI { 2066}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.283 ppm2      8.175 CV     1
 ASSI {  140}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.569 ppm2      8.411 CV     1
 ASSI { 1867}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.900     0.900 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.856 ppm2     11.441 CV     1
 ASSI {  271}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.000 ppm2      8.031 CV     1
 ASSI { 1018}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.586 ppm2      7.050 CV     1
 ASSI { 1211}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.757 ppm2      7.676 CV     1
 ASSI { 1941}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      3.751 ppm2      9.068 CV     1
 ASSI { 1375}
   (( segid "    " and resid 75   and name HZ3 ))
   (( segid "    " and resid 75   and name HZ2 ))
      3.000     3.000     3.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      7.208 ppm2      7.403 CV     1
 ASSI {  800}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   800 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      4.467 ppm2      7.722 CV     1
 ASSI { 1931}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      0.979 ppm2      7.819 CV     1
 OR { 1931}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 1191}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.052 ppm2      7.920 CV     1
 ASSI { 1540}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.735 ppm2      8.288 CV     1
 ASSI { 1417}
   (( segid "    " and resid 78   and name HA1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.650 ppm2      9.098 CV     1
 ASSI { 1700}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.621 ppm2      8.765 CV     1
 ASSI { 1751}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.506 ppm2      7.518 CV     1
 ASSI { 1099}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      3.500     1.500     1.500 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      0.936 ppm2      7.759 CV     1
 ASSI {  818}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.929 ppm2      7.870 CV     1
 ASSI {  947}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.688 ppm2      9.722 CV     1
 ASSI { 1113}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.562 ppm2      7.817 CV     1
 ASSI { 2186}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HN  ))
      3.300     1.300     1.300 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.413 ppm2      7.253 CV     1
 ASSI { 1953}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HN  ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.970 ppm2      9.068 CV     1
 ASSI { 1807}
   (( segid "    " and resid 93   and name HE  ))
   (( segid "    " and resid 93   and name HN  ))
      3.000     3.000     3.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      7.759 ppm2      7.518 CV     1
 ASSI {  229}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.838 ppm2      8.049 CV     1
 ASSI { 1589}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     0.900     0.900 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.376 ppm2      7.828 CV     1
 ASSI { 1703}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.058 ppm2      8.765 CV     1
 ASSI { 1819}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.900     1.000     1.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.212 ppm2      7.665 CV     1
 ASSI {  457}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      1.808 ppm2      8.571 CV     1
 OR {  457}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 2305}
   (( segid "    " and resid 111  and name HG3 ))
   (( segid "    " and resid 111  and name HN  ))
      3.200     1.200     1.200 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.359 ppm2      8.414 CV     1
 ASSI { 1860}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.833 ppm2      7.287 CV     1
 OR { 1860}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 2058}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HN  ))
      3.200     1.300     1.300 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.534 ppm2      8.564 CV     1
 ASSI { 1395}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.100     1.100 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.898 ppm2      9.106 CV     1
 ASSI {  539}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     3.000     3.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      1.321 ppm2      7.281 CV     1
 ASSI { 1074}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      4.445 ppm2      9.026 CV     1
 ASSI { 1284}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      1.022 ppm2      6.298 CV     1
 ASSI {  619}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      3.913 ppm2      9.674 CV     1
 ASSI {  150}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      2.135 ppm2      8.411 CV     1
 ASSI { 1721}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.900     0.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.204 ppm2      8.748 CV     1
 ASSI {  341}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      1.740 ppm2      7.764 CV     1
 ASSI { 2183}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.800     0.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.677 ppm2      7.253 CV     1
 ASSI {  160}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.362 ppm2      8.411 CV     1
 ASSI { 1194}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      3.172 ppm2      7.920 CV     1
 ASSI { 1121}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.028 ppm2      7.817 CV     1
 ASSI { 1706}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      2.600     0.800     0.800 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      3.364 ppm2      8.765 CV     1
 ASSI { 1537}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.640 ppm2      8.288 CV     1
 ASSI { 1736}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.774 ppm2      8.748 CV     1
 ASSI { 1836}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HN  ))
      3.200     1.300     1.300 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.021 ppm2      7.920 CV     1
 ASSI { 2180}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.700     0.900     0.900 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      4.654 ppm2      7.253 CV     1
 ASSI {  544}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      0.851 ppm2      7.281 CV     1
 OR {  544}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.452 ppm2      7.761 CV     1
 ASSI {  875}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.100     1.100 peak   875 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      2.835 ppm2      7.820 CV     1
 ASSI { 1790}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HE  ))
      2.700     0.900     0.900 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.013 ppm2      7.759 CV     1
 ASSI { 2343}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.600     0.800     0.800 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      2.621 ppm2      8.442 CV     1
 ASSI { 2069}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      3.936 ppm2      8.175 CV     1
 ASSI {  833}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.25476E-02 ppm1      4.249 ppm2      9.059 CV     1
 ASSI {  649}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.000 ppm2      8.183 CV     1
 ASSI {  625}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.981 ppm2      8.015 CV     1
 ASSI { 1001}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      0.857 ppm2      9.104 CV     1
 ASSI { 1927}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.730 ppm2      7.819 CV     1
 ASSI { 1499}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      0.847 ppm2      9.023 CV     1
 ASSI { 1726}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
      3.200     1.200     1.200 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      2.379 ppm2      8.748 CV     1
 ASSI { 2340}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.700     0.900     0.900 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.577 ppm2      8.442 CV     1
 ASSI {  455}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      4.560 ppm2      8.571 CV     1
 ASSI {   69}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.872 ppm2      7.627 CV     1
 ASSI {  641}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.500 ppm2      8.183 CV     1
 ASSI { 1635}
   (( segid "    " and resid 88   and name HG13))
   (( segid "    " and resid 88   and name HN  ))
      3.400     1.500     1.500 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.727 ppm2      8.505 CV     1
 ASSI {  323}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      0.964 ppm2      7.764 CV     1
 ASSI {  653}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.086 ppm2      8.183 CV     1
 ASSI {  898}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.067 ppm2      8.306 CV     1
 ASSI {  329}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      1.087 ppm2      7.766 CV     1
 ASSI { 1419}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.281 ppm2      9.098 CV     1
 ASSI { 1201}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      4.291 ppm2      9.128 CV     1
 ASSI {   47}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      3.989 ppm2      7.576 CV     1
 ASSI {  595}
   (( segid "    " and resid 31   and name HA1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.844 ppm2      9.018 CV     1
 ASSI { 1534}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     0.900     0.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      4.320 ppm2      8.288 CV     1
 ASSI { 1662}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      2.216 ppm2      8.051 CV     1
 ASSI { 2230}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      3.941 ppm2      8.472 CV     1
 ASSI { 1150}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      3.100     1.200     1.200 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      2.043 ppm2      7.275 CV     1
 ASSI {  602}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      4.888 ppm2      8.917 CV     1
 ASSI { 1406}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      4.519 ppm2     10.991 CV     1
 ASSI {  838}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HE  ))
      2.900     2.900     3.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      4.282 ppm2      7.177 CV     1
 ASSI {  621}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      4.109 ppm2      9.674 CV     1
 ASSI { 1716}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.700     0.900     0.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      3.925 ppm2      8.748 CV     1
 ASSI {  179}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.859 ppm2      7.880 CV     1
 ASSI {  524}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      4.606 ppm2      7.281 CV     1
 ASSI {  178}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HE  ))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      4.008 ppm2      7.398 CV     1
 ASSI { 1391}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      1.858 ppm2      9.104 CV     1
 ASSI { 2299}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HN  ))
      2.700     0.900     0.900 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      2.290 ppm2      8.414 CV     1
 ASSI {  605}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      3.340 ppm2      8.917 CV     1
 ASSI {   87}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.479 ppm2      7.627 CV     1
 ASSI {  672}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      2.085 ppm2      7.761 CV     1
 ASSI { 2227}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      3.911 ppm2      8.472 CV     1
 ASSI { 1105}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      4.345 ppm2      7.436 CV     1
 ASSI { 1623}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
      3.200     1.300     1.300 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.960 ppm2      8.505 CV     1
 ASSI { 1347}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.200     1.200 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.778 ppm2      8.458 CV     1
 ASSI { 1826}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      4.191 ppm2      7.920 CV     1
 ASSI { 1373}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HD1 ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      9.998 ppm2      7.300 CV     1
 ASSI {  507}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.705 ppm2      7.485 CV     1
 ASSI { 2281}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.700     0.900     0.900 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      4.623 ppm2      8.414 CV     1
 ASSI {  445}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.22750E-02 ppm1      2.211 ppm2      9.463 CV     1
 ASSI { 1890}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      4.092 ppm2      6.821 CV     1
 ASSI {  722}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   722 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      1.069 ppm2      7.707 CV     1
 ASSI { 1766}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HE  ))
      3.300     1.300     1.300 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.846 ppm2      7.759 CV     1
 ASSI {  787}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      4.214 ppm2      9.124 CV     1
 ASSI {  953}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak   953 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      0.890 ppm2      9.722 CV     1
 ASSI {  878}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.930 ppm2      7.820 CV     1
 ASSI { 1231}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HE1 ))
      2.800     0.900     0.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      7.402 ppm2      9.588 CV     1
 ASSI { 1296}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.100     1.100 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.867 ppm2      8.721 CV     1
 ASSI { 1281}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      4.406 ppm2      6.298 CV     1
 ASSI { 1188}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      4.206 ppm2      7.920 CV     1
 ASSI { 1007}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      1.095 ppm2      9.104 CV     1
 ASSI { 2239}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.700     0.900     0.900 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      4.386 ppm2      8.500 CV     1
 ASSI {  377}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   377 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.204 ppm2      9.358 CV     1
 ASSI {  190}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HE  ))
      2.700     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.529 ppm2      7.387 CV     1
 ASSI {  959}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   959 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      1.570 ppm2      9.722 CV     1
 ASSI {  422}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      5.163 ppm2      9.297 CV     1
 ASSI { 1652}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      4.138 ppm2      8.051 CV     1
 ASSI {  463}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      4.406 ppm2      8.902 CV     1
 ASSI { 1783}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HN  ))
      3.600     1.600     1.600 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      2.013 ppm2      7.518 CV     1
 ASSI { 1791}
   (( segid "    " and resid 93   and name HD2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      3.205 ppm2      7.518 CV     1
 ASSI { 1561}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      0.825 ppm2      7.828 CV     1
 ASSI {  425}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.946 ppm2      9.297 CV     1
 ASSI {  155}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.231 ppm2      8.411 CV     1
 ASSI { 2251}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HN  ))
      2.900     1.100     1.100 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      2.137 ppm2      8.500 CV     1
 ASSI {  191}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      1.661 ppm2      7.880 CV     1
 ASSI { 1465}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 80   and name HN  ))
      3.100     1.200     1.200 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      0.251 ppm2      8.024 CV     1
 ASSI {  590}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      3.417 ppm2      7.322 CV     1
 ASSI { 1846}
   (( segid "    " and resid 95   and name HG3 ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.21178E-02 ppm1      2.313 ppm2      7.920 CV     1
 ASSI { 4054}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak  4054 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      0.829 ppm2      9.722 CV     1
 ASSI { 3284}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
      2.900     2.900     3.100 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      0.894 ppm2      7.924 CV     1
 ASSI { 3308}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.476 ppm2      8.177 CV     1
 ASSI { 3312}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HE22))
      2.700     2.700     3.300 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      1.087 ppm2      7.382 CV     1
 ASSI { 3344}
   (  segid "    " and resid 96   and name HD2%)
   (  segid "    " and resid 91   and name HE% )
      2.200     2.200     3.800 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.798 ppm2      6.758 CV     1
 OR { 3344}
   (  segid "    " and resid 96   and name HD1%)
   (  segid "    " and resid 91   and name HE% )
 ASSI { 3375}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      2.800     2.800     3.200 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      5.074 ppm2      7.294 CV     1
 ASSI { 3347}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     2.900     3.100 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      2.669 ppm2      8.051 CV     1
 ASSI { 3388}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.100     1.200     1.200 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.881 ppm2      6.384 CV     1
 ASSI { 3410}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 95   and name HN  ))
      3.200     3.200     2.800 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      1.776 ppm2      7.918 CV     1
 ASSI { 3499}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      2.800     1.000     1.000 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      5.505 ppm2      7.286 CV     1
 ASSI { 3508}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 65   and name HE% )
      3.500     1.500     1.500 peak  3508 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      0.836 ppm2      6.663 CV     1
 ASSI { 3532}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 20   and name HE% )
      2.700     0.900     0.900 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      0.878 ppm2      6.322 CV     1
 ASSI { 3555}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 108  and name HN  ))
      3.100     3.100     2.900 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.362 ppm2      7.530 CV     1
 ASSI { 3716}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
      2.900     2.900     3.100 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.223 ppm2      6.970 CV     1
 ASSI { 3609}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HE21))
      2.900     1.000     1.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.431 ppm2      6.841 CV     1
 ASSI { 3634}
   (( segid "    " and resid 94   and name HA2 ))
   (( segid "    " and resid 97   and name HE21))
      3.500     1.500     1.500 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      4.219 ppm2      6.663 CV     1
 ASSI { 3668}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 91   and name HD% )
      2.800     1.000     1.000 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      3.929 ppm2      6.911 CV     1
 ASSI { 3685}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.25371E-02 ppm1      0.876 ppm2      9.295 CV     1
 ASSI { 3776}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.400     1.400 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      2.819 ppm2      8.946 CV     1
 ASSI { 3780}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     2.800     3.200 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      3.414 ppm2      9.102 CV     1
 ASSI { 3803}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 102  and name HN  ))
      3.200     1.300     1.300 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      1.687 ppm2      8.553 CV     1
 ASSI { 3922}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HE% )
      3.000     3.000     3.000 peak  3922 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      4.997 ppm2      7.093 CV     1
 ASSI { 3860}
   (( segid "    " and resid 88   and name HG12))
   (( segid "    " and resid 36   and name HN  ))
      2.800     2.800     3.200 peak  3860 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.528 ppm2      8.022 CV     1
 ASSI { 3861}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 75   and name HE1 ))
      2.200     2.200     3.800 peak  3861 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.359 ppm2      9.998 CV     1
 ASSI { 3877}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.800     2.800     3.200 peak  3877 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.018 ppm2      9.358 CV     1
 ASSI { 3949}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.100     1.100 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      0.746 ppm2      6.381 CV     1
 ASSI { 3955}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 20   and name HD% )
      2.400     2.400     3.600 peak  3955 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      0.886 ppm2      6.911 CV     1
 ASSI { 3970}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.24323E-02 ppm1      1.086 ppm2      7.524 CV     1
 ASSI { 4023}
   (( segid "    " and resid 97   and name HG3 ))
   (( segid "    " and resid 97   and name HE21))
      2.600     0.800     0.800 peak  4023 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      2.744 ppm2      6.677 CV     1
 OR { 4023}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HE21))
 ASSI { 4081}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      1.522 ppm2      8.442 CV     1
 ASSI { 4043}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     3.100     2.900 peak  4043 spectrum    1 weight  0.10000E+01 volume  0.24428E-02 ppm1      3.394 ppm2      7.010 CV     1
 ASSI {   59}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      2.313 ppm2      7.576 CV     1
 OR {   59}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 1857}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      2.346 ppm2      7.287 CV     1
 OR { 1857}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 2391}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      7.627 ppm2      7.969 CV     1
 ASSI { 3246}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      2.700     0.900     0.900 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      8.168 ppm2      7.999 CV     1
 ASSI { 2664}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      7.723 ppm2      7.520 CV     1
 ASSI { 3383}
   (( segid "    " and resid 63   and name HD3 ))
   (  segid "    " and resid 71   and name HE% )
      2.500     0.800     0.800 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      3.850 ppm2      7.351 CV     1
 ASSI { 3957}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.24637E-02 ppm1      0.956 ppm2      8.646 CV     1
 ASSI { 2830}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     2.700     3.300 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      4.206 ppm2      7.556 CV     1
 ASSI { 3519}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 8    and name HN  ))
      2.200     2.200     3.800 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      1.592 ppm2      7.974 CV     1
 ASSI { 3583}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 71   and name HE% )
      2.600     2.600     3.400 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      3.751 ppm2      7.351 CV     1
 ASSI { 4099}
   (( segid "    " and resid 63   and name HD3 ))
   (  segid "    " and resid 71   and name HD% )
      3.100     1.200     1.200 peak  4099 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      3.849 ppm2      7.290 CV     1
 ASSI { 4104}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 20   and name HE% )
      2.700     0.900     0.900 peak  4104 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      0.222 ppm2      6.323 CV     1
 ASSI { 3808}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      2.700     0.900     0.900 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.25581E-02 ppm1      0.222 ppm2      6.928 CV     1
 ASSI { 3902}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 48   and name HN  ))
      3.300     3.300     2.700 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      1.148 ppm2      8.314 CV     1
 ASSI {  399}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.162 ppm2      8.947 CV     1
 OR {  399}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 4113}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
      2.900     2.900     3.100 peak  4113 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.371 ppm2      6.329 CV     1
 OR { 4113}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 20   and name HE% )
 ASSI { 4114}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.441 ppm2      6.301 CV     1
 ASSI { 2628}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 47   and name HE% )
      2.600     0.800     0.800 peak  2628 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      4.196 ppm2      7.087 CV     1
 ASSI { 2418}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 103  and name HA  ))
      2.800     2.800     3.200 peak  2418 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      3.704 ppm2      4.277 CV     1
 ASSI { 2860}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HD% )
      2.500     0.800     0.800 peak  2860 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      4.621 ppm2      6.907 CV     1
 ASSI { 2847}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak  2847 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.725 ppm2      3.482 CV     1
 ASSI { 2498}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 58   and name HD1%)
      2.600     2.600     3.400 peak  2498 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.490 ppm2      0.952 CV     1
 ASSI { 2565}
   (  segid "    " and resid 103  and name HG2%)
   (  segid "    " and resid 107  and name HD% )
      2.400     0.700     0.700 peak  2565 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.375 ppm2      7.321 CV     1
 ASSI { 2247}
   (( segid "    " and resid 107  and name HB3 ))
   (  segid "    " and resid 107  and name HD% )
      2.600     0.800     0.800 peak  2247 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.397 ppm2      7.321 CV     1
 ASSI { 3010}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      2.900     2.900     3.100 peak  3010 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.529 ppm2      5.834 CV     1
 ASSI { 2227}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HE% )
      2.800     2.800     3.200 peak  2227 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      5.830 ppm2      6.794 CV     1
 ASSI { 2413}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HD3 ))
      2.300     0.700     0.700 peak  2413 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.560 ppm2      4.092 CV     1
 ASSI { 2282}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.000     3.000     3.000 peak  2282 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.857 ppm2      5.369 CV     1
 ASSI { 2180}
   (( segid "    " and resid 112  and name HD2 ))
   (( segid "    " and resid 111  and name HA  ))
      2.600     0.800     0.800 peak  2180 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.724 ppm2      4.610 CV     1
 ASSI { 2218}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak  2218 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.922 ppm2      7.276 CV     1
 ASSI { 2272}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak  2272 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.224 ppm2      5.148 CV     1
 ASSI { 2341}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     2.700     3.300 peak  2341 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      3.669 ppm2      5.835 CV     1
 ASSI { 2422}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.800     2.800     3.200 peak  2422 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1     -0.316 ppm2      3.394 CV     1
 ASSI { 3241}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 18   and name HD2%)
      3.000     3.000     3.000 peak  3241 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.272 ppm2      0.553 CV     1
 ASSI { 2938}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 20   and name HE% )
      3.200     1.300     1.300 peak  2938 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.562 ppm2      6.326 CV     1
 ASSI { 2184}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     2.500     3.500 peak  2184 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.525 ppm2      4.671 CV     1
 ASSI { 2348}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     2.700     3.300 peak  2348 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.232 ppm2      4.984 CV     1
 ASSI { 2813}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 47   and name HE% )
      2.000     2.000     4.000 peak  2813 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      6.784 ppm2      7.096 CV     1
 ASSI { 3289}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HG  ))
      2.400     0.700     0.700 peak  3289 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.529 ppm2      0.875 CV     1
 ASSI { 3312}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 17   and name HD1%)
      2.500     0.800     0.800 peak  3312 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.987 ppm2      1.737 CV     1
 ASSI { 2185}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak  2185 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.536 ppm2      4.607 CV     1
 ASSI { 2683}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     2.600     3.400 peak  2683 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      3.268 ppm2      3.866 CV     1
 ASSI { 2933}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 65   and name HD% )
      2.400     0.700     0.700 peak  2933 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.241 ppm2      6.968 CV     1
 ASSI { 3018}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.900     2.900     3.100 peak  3018 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.325 ppm2      5.486 CV     1
 ASSI { 2177}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  2177 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.460 ppm2      5.189 CV     1
 ASSI { 2361}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      2.800     2.800     3.200 peak  2361 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.677 ppm2      5.513 CV     1
 ASSI { 2650}
   (( segid "    " and resid 72   and name HD3 ))
   (  segid "    " and resid 32   and name HD% )
      2.700     0.900     0.900 peak  2650 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.091 ppm2      7.633 CV     1
 ASSI { 3215}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.000     1.000 peak  3215 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.533 ppm2      0.984 CV     1
 ASSI { 3307}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HB3 ))
      2.500     0.800     0.800 peak  3307 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.329 ppm2      1.071 CV     1
 ASSI { 3176}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak  3176 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.530 ppm2      2.830 CV     1
 ASSI { 2696}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 75   and name HB3 ))
      3.400     1.400     1.400 peak  2696 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.273 ppm2      3.190 CV     1
 ASSI { 3350}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.300     0.600     0.600 peak  3350 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.529 ppm2      1.917 CV     1
 ASSI { 3330}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 47   and name HE% )
      3.000     1.100     1.100 peak  3330 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.987 ppm2      7.088 CV     1
 ASSI { 2948}
   (  segid "    " and resid 104  and name HB% )
   (  segid "    " and resid 107  and name HD% )
      2.900     2.900     3.100 peak  2948 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.472 ppm2      7.320 CV     1
 ASSI { 2178}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  2178 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.644 ppm2      5.189 CV     1
 ASSI { 3200}
   (( segid "    " and resid 17   and name HG13))
   (  segid "    " and resid 17   and name HD1%)
      2.400     0.700     0.700 peak  3200 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.134 ppm2      1.738 CV     1
 ASSI { 2811}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 20   and name HD% )
      2.400     0.700     0.700 peak  2811 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      6.322 ppm2      6.930 CV     1
 ASSI { 3293}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HG  ))
      2.500     0.800     0.800 peak  3293 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.327 ppm2      1.042 CV     1
 ASSI { 2307}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.800     0.800 peak  2307 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.597 ppm2      4.430 CV     1
 ASSI { 3076}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 112  and name HA  ))
      2.600     2.600     3.400 peak  3076 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.146 ppm2      4.446 CV     1
 ASSI { 2896}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 65   and name HE% )
      2.500     0.800     0.800 peak  2896 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1     -0.314 ppm2      6.660 CV     1
 ASSI { 2396}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  2396 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.840 ppm2      3.895 CV     1
 ASSI { 2721}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  2721 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.070 ppm2      3.871 CV     1
 ASSI { 2327}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     2.600     3.400 peak  2327 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.088 ppm2      5.062 CV     1
 ASSI { 3207}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.700     2.700     3.300 peak  3207 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.540 ppm2      1.384 CV     1
 ASSI { 2345}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     2.600     3.400 peak  2345 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.584 ppm2      5.376 CV     1
 ASSI { 2716}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 82   and name HA2 ))
      2.600     0.900     0.900 peak  2716 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.823 ppm2      3.868 CV     1
 ASSI { 2346}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     2.700     3.300 peak  2346 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.352 ppm2      5.192 CV     1
 ASSI { 2520}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 71   and name HD% )
      2.800     2.800     3.200 peak  2520 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.214 ppm2      7.290 CV     1
 ASSI { 3164}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 82   and name HA1 ))
      2.700     2.700     3.300 peak  3164 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.330 ppm2      2.197 CV     1
 ASSI { 2711}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 38   and name HG3 ))
      3.100     1.200     1.200 peak  2711 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.007 ppm2      2.434 CV     1
 ASSI { 2326}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     2.600     3.400 peak  2326 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.229 ppm2      4.920 CV     1
 ASSI { 2363}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  2363 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.224 ppm2      5.062 CV     1
 ASSI { 2174}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak  2174 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.897 ppm2      5.372 CV     1
 ASSI { 2914}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 20   and name HD% )
      2.800     0.900     0.900 peak  2914 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.528 ppm2      6.923 CV     1
 ASSI { 3121}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak  3121 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.530 ppm2      3.510 CV     1
 ASSI { 2310}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  2310 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      2.151 ppm2      4.455 CV     1
 ASSI { 2595}
   (( segid "    " and resid 78   and name HA1 ))
   (( segid "    " and resid 75   and name HE3 ))
      2.500     0.800     0.800 peak  2595 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.622 ppm2      7.037 CV     1
 ASSI { 3254}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 65   and name HD% )
      3.100     1.200     1.200 peak  3254 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.460 ppm2      6.969 CV     1
 ASSI { 3110}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.800     2.800     3.200 peak  3110 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.678 ppm2      4.556 CV     1
 ASSI { 2217}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak  2217 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.829 ppm2      7.279 CV     1
 ASSI { 2542}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 107  and name HE% )
      2.700     2.700     3.300 peak  2542 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.231 ppm2      6.790 CV     1
 OR { 2542}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 107  and name HE% )
 ASSI { 2622}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HD% )
      2.600     0.800     0.800 peak  2622 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.822 ppm2      7.276 CV     1
 ASSI { 3095}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     2.600     3.400 peak  3095 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      2.043 ppm2      4.428 CV     1
 ASSI { 2687}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak  2687 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      2.264 ppm2      2.895 CV     1
 OR { 2687}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 3308}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak  3308 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.329 ppm2      0.984 CV     1
 ASSI { 2232}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
      2.600     0.900     0.900 peak  2232 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      4.196 ppm2      6.968 CV     1
 ASSI { 2400}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.800     2.800     3.200 peak  2400 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.909 ppm2      3.648 CV     1
 ASSI { 2868}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 107  and name HE% )
      3.300     1.400     1.400 peak  2868 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.483 ppm2      6.789 CV     1
 ASSI { 2665}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     2.600     3.400 peak  2665 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.808 ppm2      4.985 CV     1
 ASSI { 3133}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     2.700     3.300 peak  3133 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.382 ppm2      3.364 CV     1
 ASSI { 2817}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HE% )
      2.700     2.700     3.300 peak  2817 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.593 ppm2      7.353 CV     1
 ASSI { 2320}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak  2320 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.983 ppm2      5.836 CV     1
 ASSI { 3418}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HZ  ))
      2.600     2.600     3.400 peak  3418 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.591 ppm2      7.394 CV     1
 ASSI { 3322}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HG13))
      2.600     0.800     0.800 peak  3322 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.678 ppm2      1.576 CV     1
 ASSI { 2431}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 75   and name HB3 ))
      2.500     0.800     0.800 peak  2431 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.847 ppm2      3.187 CV     1
 ASSI { 2607}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 107  and name HE% )
      2.600     0.900     0.900 peak  2607 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      2.326 ppm2      6.789 CV     1
 ASSI { 2251}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HD% )
      2.500     0.800     0.800 peak  2251 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      4.639 ppm2      7.322 CV     1
 ASSI { 2954}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 75   and name HZ3 ))
      2.900     1.000     1.000 peak  2954 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.855 ppm2      7.206 CV     1
 ASSI { 2420}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.400     0.700     0.700 peak  2420 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.224 ppm2      2.730 CV     1
 ASSI { 2390}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 95   and name HA  ))
      2.500     0.800     0.800 peak  2390 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      2.455 ppm2      4.184 CV     1
 ASSI { 2215}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      2.600     0.800     0.800 peak  2215 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      4.874 ppm2      7.634 CV     1
 ASSI { 3425}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak  3425 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.033 ppm2      4.548 CV     1
 ASSI { 2429}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  2429 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.657 ppm2      3.275 CV     1
 ASSI { 3259}
   (( segid "    " and resid 106  and name HG2 ))
   (  segid "    " and resid 107  and name HD% )
      2.900     2.900     3.100 peak  3259 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.781 ppm2      7.321 CV     1
 ASSI { 2951}
   (( segid "    " and resid 17   and name HB  ))
   (  segid "    " and resid 47   and name HD% )
      3.000     3.000     3.000 peak  2951 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.977 ppm2      7.277 CV     1
 ASSI { 2648}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 75   and name HZ2 ))
      2.700     2.700     3.300 peak  2648 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      6.962 ppm2      7.403 CV     1
 ASSI { 2830}
   (( segid "    " and resid 62   and name HG  ))
   (  segid "    " and resid 71   and name HE% )
      2.800     1.000     1.000 peak  2830 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.555 ppm2      7.349 CV     1
 ASSI { 2999}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 107  and name HE% )
      3.000     3.000     3.000 peak  2999 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.196 ppm2      6.789 CV     1
 ASSI { 2757}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 102  and name HB2 ))
      2.000     2.000     4.000 peak  2757 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.505 ppm2      2.077 CV     1
 ASSI { 2911}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 20   and name HE% )
      2.400     0.700     0.700 peak  2911 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.164 ppm2      6.326 CV     1
 ASSI { 2823}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 71   and name HE% )
      2.500     0.800     0.800 peak  2823 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      3.233 ppm2      7.352 CV     1
 ASSI { 2437}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 91   and name HB2 ))
      3.400     1.400     1.400 peak  2437 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.717 ppm2      3.056 CV     1
 ASSI { 2722}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 97   and name HA  ))
      2.600     2.600     3.400 peak  2722 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.011 ppm2      3.834 CV     1
 OR { 2722}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 97   and name HA  ))
 ASSI { 2462}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 113  and name HB2 ))
      2.600     2.600     3.400 peak  2462 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.154 ppm2      2.607 CV     1
 ASSI { 2731}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak  2731 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.551 ppm2      3.950 CV     1
 ASSI { 2322}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     2.900     3.100 peak  2322 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.597 ppm2      5.061 CV     1
 ASSI { 2286}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 68   and name HA  ))
      2.800     2.800     3.200 peak  2286 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.855 ppm2      4.873 CV     1
 ASSI { 2194}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     2.800     3.200 peak  2194 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.865 ppm2      5.834 CV     1
 ASSI { 2809}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 75   and name HH2 ))
      2.600     2.600     3.400 peak  2809 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      6.965 ppm2      7.175 CV     1
 ASSI { 2275}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak  2275 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.189 ppm2      4.824 CV     1
 ASSI { 2395}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     2.700     3.300 peak  2395 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.900 ppm2      3.978 CV     1
 ASSI { 2872}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  2872 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.533 ppm2      3.873 CV     1
 ASSI { 2324}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak  2324 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.501 ppm2      5.244 CV     1
 ASSI { 2328}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.000     2.000     4.000 peak  2328 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.660 ppm2      4.880 CV     1
 ASSI { 2801}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.000     2.000     4.000 peak  2801 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      3.116 ppm2      4.880 CV     1
 ASSI { 2901}
   (  segid "    " and resid 40   and name HD2%)
   (  segid "    " and resid 47   and name HE% )
      2.700     0.900     0.900 peak  2901 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.534 ppm2      7.087 CV     1
 ASSI { 2838}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 71   and name HD% )
      2.600     0.900     0.900 peak  2838 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.909 ppm2      7.294 CV     1
 ASSI { 2573}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 71   and name HE% )
      2.700     2.700     3.300 peak  2573 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.820 ppm2      7.352 CV     1
 ASSI { 2403}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB3 ))
      2.700     2.700     3.300 peak  2403 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.654 ppm2      3.563 CV     1
 ASSI { 3232}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 5    and name HG2%)
      2.700     2.700     3.300 peak  3232 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1     -0.314 ppm2      0.750 CV     1
 ASSI { 2274}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 68   and name HA  ))
      2.000     2.000     4.000 peak  2274 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.356 ppm2      4.878 CV     1
 ASSI { 2684}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     2.600     3.400 peak  2684 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      3.482 ppm2      3.993 CV     1
 ASSI { 2935}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 65   and name HE% )
      2.900     2.900     3.100 peak  2935 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.440 ppm2      6.659 CV     1
 ASSI { 3050}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak  3050 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.835 ppm2      5.062 CV     1
 ASSI { 2321}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     2.700     3.300 peak  2321 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      4.614 ppm2      4.988 CV     1
 ASSI { 2605}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HE3 ))
      3.200     1.300     1.300 peak  2605 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.898 ppm2      7.039 CV     1
 ASSI { 2541}
   (  segid "    " and resid 103  and name HG2%)
   (  segid "    " and resid 107  and name HE% )
      2.400     0.700     0.700 peak  2541 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.375 ppm2      6.789 CV     1
 ASSI { 2822}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 71   and name HE% )
      2.600     0.900     0.900 peak  2822 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      4.556 ppm2      7.352 CV     1
 ASSI { 2409}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  2409 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.757 ppm2      4.128 CV     1
 ASSI { 2351}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 82   and name HA2 ))
      2.900     2.900     3.100 peak  2351 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1     -0.220 ppm2      3.857 CV     1
 ASSI { 2732}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 106  and name HA  ))
      2.600     2.600     3.400 peak  2732 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.501 ppm2      3.955 CV     1
 ASSI { 2392}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  2392 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.896 ppm2      4.183 CV     1
 ASSI { 2910}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 20   and name HE% )
      3.000     3.000     3.000 peak  2910 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.203 ppm2      6.327 CV     1
 ASSI { 2748}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak  2748 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.847 ppm2      2.948 CV     1
 ASSI { 2182}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak  2182 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.041 ppm2      4.673 CV     1
 ASSI { 2977}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak  2977 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      3.055 ppm2      7.277 CV     1
 ASSI { 3111}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  3111 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.846 ppm2      4.687 CV     1
 ASSI { 3373}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 65   and name HE% )
      3.000     3.000     3.000 peak  3373 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.460 ppm2      6.662 CV     1
 ASSI { 3323}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB3 ))
      2.500     0.800     0.800 peak  3323 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.740 ppm2      1.632 CV     1
 OR { 3323}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 2294}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  2294 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.352 ppm2      4.267 CV     1
 ASSI { 2389}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.900     0.900 peak  2389 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.406 ppm2      4.184 CV     1
 ASSI { 2623}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 107  and name HD% )
      2.600     0.900     0.900 peak  2623 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      4.352 ppm2      7.319 CV     1
 ASSI { 2876}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 50   and name HG1%)
      3.200     1.300     1.300 peak  2876 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.189 ppm2      0.482 CV     1
 ASSI { 3392}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  3392 spectrum    2 weight  0.10000E+01 volume  0.33891E-02 ppm1      1.598 ppm2      4.333 CV     1
 ASSI { 2195}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      2.900     2.900     3.100 peak  2195 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.475 ppm2      5.834 CV     1
 ASSI { 2444}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 9    and name HG3 ))
      2.700     2.700     3.300 peak  2444 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.598 ppm2      2.354 CV     1
 ASSI { 2464}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.400     0.700     0.700 peak  2464 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.834 ppm2      2.511 CV     1
 ASSI { 2434}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.100     1.100 peak  2434 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.719 ppm2      3.274 CV     1
 ASSI { 2758}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 115  and name HB3 ))
      2.600     0.900     0.900 peak  2758 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.401 ppm2      2.031 CV     1
 ASSI { 3002}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HE% )
      3.100     1.200     1.200 peak  3002 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.336 ppm2      6.660 CV     1
 ASSI { 2857}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HZ3 ))
      2.800     2.800     3.200 peak  2857 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      4.264 ppm2      7.211 CV     1
 ASSI { 2596}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 47   and name HE% )
      2.900     2.900     3.100 peak  2596 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      3.870 ppm2      7.087 CV     1
 ASSI { 2354}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak  2354 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.224 ppm2      4.140 CV     1
 ASSI { 3303}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  3303 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.986 ppm2      3.870 CV     1
 ASSI { 2971}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 65   and name HE% )
      2.500     0.800     0.800 peak  2971 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.206 ppm2      6.660 CV     1
 ASSI { 2564}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 75   and name HZ2 ))
      2.400     0.700     0.700 peak  2564 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.854 ppm2      7.401 CV     1
 ASSI { 2447}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 113  and name HB2 ))
      2.700     2.700     3.300 peak  2447 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.512 ppm2      2.599 CV     1
 ASSI { 2435}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
      3.400     3.400     2.600 peak  2435 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.676 ppm2      2.944 CV     1
 ASSI { 2814}
   (  segid "    " and resid 20   and name HD% )
   (  segid "    " and resid 71   and name HE% )
      2.500     0.800     0.800 peak  2814 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      6.923 ppm2      7.352 CV     1
 ASSI { 2759}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     2.800     3.200 peak  2759 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.876 ppm2      1.906 CV     1
 ASSI { 3412}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 20   and name HE% )
      2.400     0.700     0.700 peak  3412 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.746 ppm2      6.322 CV     1
 ASSI { 2586}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak  2586 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.663 ppm2      7.636 CV     1
 ASSI { 2205}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     2.700     3.300 peak  2205 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.401 ppm2      5.062 CV     1
 ASSI { 2686}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.200     1.200 peak  2686 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.653 ppm2      3.327 CV     1
 ASSI { 2889}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 75   and name HB3 ))
      2.900     1.000     1.000 peak  2889 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.529 ppm2      3.190 CV     1
 ASSI { 2421}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
      2.800     2.800     3.200 peak  2421 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.226 ppm2      3.052 CV     1
 ASSI { 2568}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 107  and name HD% )
      2.700     0.900     0.900 peak  2568 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.231 ppm2      7.321 CV     1
 OR { 2568}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 107  and name HD% )
 ASSI { 2943}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 107  and name HE% )
      3.600     1.600     1.600 peak  2943 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.738 ppm2      6.789 CV     1
 ASSI { 3228}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 17   and name HG13))
      2.800     2.800     3.200 peak  3228 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.325 ppm2      1.134 CV     1
 ASSI { 2278}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  2278 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.155 ppm2      5.834 CV     1
 ASSI { 2897}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 20   and name HE% )
      2.600     0.900     0.900 peak  2897 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1     -0.316 ppm2      6.326 CV     1
 ASSI { 2968}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 47   and name HD% )
      2.400     0.700     0.700 peak  2968 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.162 ppm2      7.277 CV     1
 ASSI { 2280}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     2.900     3.100 peak  2280 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.545 ppm2      5.189 CV     1
 ASSI { 2937}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 20   and name HE% )
      2.500     0.800     0.800 peak  2937 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.695 ppm2      6.326 CV     1
 ASSI { 2611}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 68   and name HZ2 ))
      2.600     0.800     0.800 peak  2611 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      3.857 ppm2      7.527 CV     1
 ASSI { 2710}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 102  and name HG3 ))
      2.600     2.600     3.400 peak  2710 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.817 ppm2      2.516 CV     1
 ASSI { 2412}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     2.800     3.200 peak  2412 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      3.317 ppm2      4.099 CV     1
 ASSI { 2374}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
      2.700     2.700     3.300 peak  2374 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.724 ppm2      4.612 CV     1
 ASSI { 2263}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 75   and name HH2 ))
      2.600     0.900     0.900 peak  2263 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1     -0.315 ppm2      7.175 CV     1
 ASSI { 2375}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  2375 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.795 ppm2      4.204 CV     1
 ASSI { 2635}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 107  and name HE% )
      2.500     0.800     0.800 peak  2635 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      4.352 ppm2      6.789 CV     1
 ASSI { 3240}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
      2.400     0.700     0.700 peak  3240 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.186 ppm2      0.534 CV     1
 ASSI { 3349}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  3349 spectrum    2 weight  0.10000E+01 volume  0.33891E-02 ppm1      1.910 ppm2      4.352 CV     1
 ASSI { 2651}
   (( segid "    " and resid 84   and name HB3 ))
   (  segid "    " and resid 32   and name HD% )
      2.700     0.900     0.900 peak  2651 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      3.112 ppm2      7.633 CV     1
 ASSI { 2630}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
      2.400     0.700     0.700 peak  2630 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      4.337 ppm2      6.967 CV     1
 ASSI { 2775}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 53   and name HD2%)
      2.400     0.700     0.700 peak  2775 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.224 ppm2      1.086 CV     1
 ASSI { 2183}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak  2183 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.946 ppm2      4.674 CV     1
 ASSI { 3291}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HG  ))
      2.800     2.800     3.200 peak  3291 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.214 ppm2      1.397 CV     1
 ASSI { 3263}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 107  and name HD% )
      3.100     1.200     1.200 peak  3263 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.539 ppm2      7.321 CV     1
 ASSI { 3001}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HE% )
      2.600     0.800     0.800 peak  3001 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      4.264 ppm2      6.660 CV     1
 ASSI { 2216}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      2.700     2.700     3.300 peak  2216 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      4.875 ppm2      7.548 CV     1
 ASSI { 2604}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 47   and name HE% )
      2.800     1.000     1.000 peak  2604 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.806 ppm2      7.087 CV     1
 ASSI { 2600}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 20   and name HD% )
      2.800     2.800     3.200 peak  2600 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      3.666 ppm2      6.921 CV     1
 ASSI { 3030}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  3030 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.783 ppm2      5.243 CV     1
 ASSI { 2557}
   (( segid "    " and resid 19   and name HG  ))
   (  segid "    " and resid 47   and name HE% )
      2.900     1.100     1.100 peak  2557 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.391 ppm2      7.091 CV     1
 ASSI { 2563}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 107  and name HD% )
      2.800     1.000     1.000 peak  2563 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.738 ppm2      7.323 CV     1
 ASSI { 2634}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 91   and name HE% )
      3.100     3.100     2.900 peak  2634 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      4.281 ppm2      6.753 CV     1
 ASSI { 2694}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak  2694 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.450 ppm2      3.996 CV     1
 ASSI { 3168}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 92   and name HG2 ))
      2.800     1.000     1.000 peak  3168 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.967 ppm2      2.561 CV     1
 ASSI { 2203}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      2.800     2.800     3.200 peak  2203 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.475 ppm2      5.147 CV     1
 ASSI { 3059}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     2.700     3.300 peak  3059 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      4.822 ppm2      4.985 CV     1
 ASSI { 2379}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak  2379 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.272 ppm2      3.561 CV     1
 ASSI { 2385}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HA  ))
      2.700     2.700     3.300 peak  2385 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.662 ppm2      4.456 CV     1
 ASSI { 2631}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 91   and name HE% )
      2.600     2.600     3.400 peak  2631 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      3.913 ppm2      6.754 CV     1
 ASSI { 2288}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     3.000     3.000 peak  2288 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.512 ppm2      5.062 CV     1
 ASSI { 3163}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
      2.800     1.000     1.000 peak  3163 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.331 ppm2      2.160 CV     1
 ASSI { 2863}
   (( segid "    " and resid 92   and name HG2 ))
   (  segid "    " and resid 91   and name HD% )
      2.600     0.900     0.900 peak  2863 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.555 ppm2      6.910 CV     1
 ASSI { 3294}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 100  and name HA  ))
      3.000     3.000     3.000 peak  3294 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.524 ppm2      3.705 CV     1
 ASSI { 2289}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak  2289 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.677 ppm2      5.145 CV     1
 ASSI { 2784}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HG  ))
      2.400     0.700     0.700 peak  2784 spectrum    2 weight  0.10000E+01 volume  0.33610E-02 ppm1      0.945 ppm2      1.727 CV     1
 OR { 2784}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HG  ))
 ASSI { 2540}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 91   and name HE% )
      2.500     0.800     0.800 peak  2540 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      1.662 ppm2      6.753 CV     1
 ASSI { 2432}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      2.400     0.700     0.700 peak  2432 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.795 ppm2      3.166 CV     1
 ASSI { 2751}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 68   and name HB3 ))
      2.900     2.900     3.100 peak  2751 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.860 ppm2      2.964 CV     1
 ASSI { 3193}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 8    and name HB  ))
      2.600     0.800     0.800 peak  3193 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.551 ppm2      1.483 CV     1
 ASSI { 3126}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.800     2.800     3.200 peak  3126 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.678 ppm2      3.391 CV     1
 ASSI { 3237}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 18   and name HD2%)
      2.900     1.100     1.100 peak  3237 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1     -0.314 ppm2      0.532 CV     1
 ASSI { 3129}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak  3129 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.741 ppm2      3.049 CV     1
 ASSI { 3274}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.000     2.000     4.000 peak  3274 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.782 ppm2      5.344 CV     1
 ASSI { 2271}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      2.700     2.700     3.300 peak  2271 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.080 ppm2      2.655 CV     1
 ASSI { 2570}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 68   and name HZ2 ))
      2.700     0.900     0.900 peak  2570 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.906 ppm2      7.525 CV     1
 ASSI { 2905}
   (  segid "    " and resid 8    and name HD1%)
   (  segid "    " and resid 65   and name HD% )
      3.000     1.100     1.100 peak  2905 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.212 ppm2      6.968 CV     1
 ASSI { 2391}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  2391 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.150 ppm2      4.185 CV     1
 ASSI { 2302}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 113  and name HA  ))
      2.800     2.800     3.200 peak  2302 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.397 ppm2      4.563 CV     1
 ASSI { 3199}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak  3199 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.675 ppm2      1.868 CV     1
 ASSI { 2388}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
      2.500     0.800     0.800 peak  2388 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.238 ppm2      4.316 CV     1
 ASSI { 2816}
   (  segid "    " and resid 49   and name HD% )
   (  segid "    " and resid 47   and name HE% )
      2.000     2.000     4.000 peak  2816 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      6.918 ppm2      7.090 CV     1
 ASSI { 2382}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  2382 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.272 ppm2      3.482 CV     1
 ASSI { 2367}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak  2367 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.234 ppm2      5.189 CV     1
 OR { 2367}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2304}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 29   and name HA  ))
      2.000     2.000     4.000 peak  2304 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.086 ppm2      4.688 CV     1
 ASSI { 2187}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak  2187 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      3.743 ppm2      4.672 CV     1
 ASSI { 2826}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 71   and name HE% )
      2.600     0.800     0.800 peak  2826 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.940 ppm2      7.353 CV     1
 ASSI { 2436}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.800     0.800 peak  2436 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.795 ppm2      3.049 CV     1
 ASSI { 2780}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 82   and name HA1 ))
      2.500     0.800     0.800 peak  2780 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1     -0.220 ppm2      2.207 CV     1
 ASSI { 2742}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 77   and name HB3 ))
      3.400     1.400     1.400 peak  2742 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.377 ppm2      3.504 CV     1
 ASSI { 3309}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  3309 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.544 ppm2      3.903 CV     1
 ASSI { 2642}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HE3 ))
      2.600     0.800     0.800 peak  2642 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      5.067 ppm2      7.037 CV     1
 ASSI { 2405}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HD3 ))
      2.600     2.600     3.400 peak  2405 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.049 ppm2      3.536 CV     1
 ASSI { 2399}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 23   and name HA1 ))
      2.000     2.000     4.000 peak  2399 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.853 ppm2      3.745 CV     1
 ASSI { 2368}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.000     2.000     4.000 peak  2368 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.282 ppm2      5.189 CV     1
 ASSI { 3239}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG  ))
      2.600     0.900     0.900 peak  3239 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1     -0.479 ppm2      0.250 CV     1
 ASSI { 2620}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      2.800     2.800     3.200 peak  2620 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      5.062 ppm2      7.294 CV     1
 ASSI { 2840}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 47   and name HE% )
      2.600     0.900     0.900 peak  2840 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.326 ppm2      7.087 CV     1
 ASSI { 2337}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  2337 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      3.160 ppm2      4.343 CV     1
 ASSI { 2449}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.900     1.100     1.100 peak  2449 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.405 ppm2      3.057 CV     1
 ASSI { 2583}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 71   and name HD% )
      2.400     0.700     0.700 peak  2583 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.132 ppm2      7.296 CV     1
 ASSI { 3028}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  3028 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.732 ppm2      5.344 CV     1
 ASSI { 2793}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 91   and name HD% )
      2.500     0.800     0.800 peak  2793 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.965 ppm2      6.909 CV     1
 ASSI { 3242}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 40   and name HD2%)
      2.500     0.800     0.800 peak  3242 spectrum    2 weight  0.10000E+01 volume  0.33610E-02 ppm1      0.329 ppm2      0.536 CV     1
 ASSI { 2202}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak  2202 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.812 ppm2      5.147 CV     1
 ASSI { 2404}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD3 ))
      2.900     1.000     1.000 peak  2404 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.946 ppm2      3.536 CV     1
 ASSI { 2457}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.500     0.800     0.800 peak  2457 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.169 ppm2      3.057 CV     1
 ASSI { 2841}
   (  segid "    " and resid 88   and name HD1%)
   (  segid "    " and resid 91   and name HD% )
      2.600     0.900     0.900 peak  2841 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.717 ppm2      6.907 CV     1
 ASSI { 2226}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      2.800     1.000     1.000 peak  2226 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      5.828 ppm2      6.913 CV     1
 ASSI { 2806}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 75   and name HZ3 ))
      2.600     0.800     0.800 peak  2806 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      6.657 ppm2      7.210 CV     1
 ASSI { 2460}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 92   and name HG3 ))
      2.700     2.700     3.300 peak  2460 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.093 ppm2      2.765 CV     1
 ASSI { 2497}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 18   and name HD1%)
      2.900     2.900     3.100 peak  2497 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1     -0.314 ppm2      0.207 CV     1
 ASSI { 2427}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 107  and name HB3 ))
      2.700     2.700     3.300 peak  2427 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.722 ppm2      3.401 CV     1
 ASSI { 2982}
   (( segid "    " and resid 92   and name HG3 ))
   (  segid "    " and resid 91   and name HE% )
      2.800     1.000     1.000 peak  2982 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.760 ppm2      6.753 CV     1
 ASSI { 3264}
   (  segid "    " and resid 66   and name HB% )
   (  segid "    " and resid 65   and name HD% )
      2.600     2.600     3.400 peak  3264 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.853 ppm2      6.964 CV     1
 ASSI { 2663}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      2.600     0.800     0.800 peak  2663 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.965 ppm2      4.124 CV     1
 ASSI { 2468}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 38   and name HB2 ))
      2.800     2.800     3.200 peak  2468 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.874 ppm2      2.018 CV     1
 ASSI { 3000}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HE% )
      2.800     2.800     3.200 peak  3000 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      4.198 ppm2      6.660 CV     1
 ASSI { 2252}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HE% )
      2.900     2.900     3.100 peak  2252 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      4.635 ppm2      6.789 CV     1
 ASSI { 2340}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     2.500     3.500 peak  2340 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      4.261 ppm2      4.513 CV     1
 ASSI { 3288}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HB  ))
      2.800     1.000     1.000 peak  3288 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.743 ppm2      1.982 CV     1
 ASSI { 3266}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 107  and name HD% )
      2.400     0.700     0.700 peak  3266 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.916 ppm2      7.319 CV     1
 ASSI { 3299}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak  3299 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.408 ppm2      5.488 CV     1
 ASSI { 2276}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  2276 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1     -0.220 ppm2      4.750 CV     1
 ASSI { 2703}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
      2.600     0.800     0.800 peak  2703 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.189 ppm2      2.907 CV     1
 ASSI { 2672}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.200     1.200 peak  2672 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.714 ppm2      5.458 CV     1
 ASSI { 2695}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 94   and name HA1 ))
      2.800     2.800     3.200 peak  2695 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.845 ppm2      3.711 CV     1
 ASSI { 2632}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 107  and name HE% )
      3.400     1.500     1.500 peak  2632 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      3.920 ppm2      6.789 CV     1
 ASSI { 3138}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.800     2.800     3.200 peak  3138 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.049 ppm2      3.438 CV     1
 ASSI { 2401}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.800     0.800 peak  2401 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.632 ppm2      3.840 CV     1
 ASSI { 2197}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.700     2.700     3.300 peak  2197 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1     -0.220 ppm2      5.073 CV     1
 ASSI { 2572}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 68   and name HH2 ))
      2.600     0.900     0.900 peak  2572 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.916 ppm2      7.256 CV     1
 ASSI { 2657}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 91   and name HA  ))
      2.800     2.800     3.200 peak  2657 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.783 ppm2      4.610 CV     1
 ASSI { 2682}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     2.800     3.200 peak  2682 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      3.489 ppm2      4.097 CV     1
 ASSI { 2675}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     3.000     3.000 peak  2675 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.640 ppm2      4.599 CV     1
 ASSI { 2265}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 65   and name HD% )
      3.000     1.100     1.100 peak  2265 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1     -0.317 ppm2      6.968 CV     1
 ASSI { 2890}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HB3 ))
      2.800     1.000     1.000 peak  2890 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.527 ppm2      2.919 CV     1
 ASSI { 2903}
   (  segid "    " and resid 40   and name HD2%)
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak  2903 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.533 ppm2      7.278 CV     1
 ASSI { 3120}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.800     0.800 peak  3120 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.326 ppm2      3.487 CV     1
 ASSI { 2702}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 68   and name HB3 ))
      2.000     2.000     4.000 peak  2702 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.356 ppm2      2.964 CV     1
 ASSI { 2208}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HD% )
      2.500     0.800     0.800 peak  2208 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.935 ppm2      6.924 CV     1
 ASSI { 2547}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 20   and name HD% )
      2.600     0.900     0.900 peak  2547 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.480 ppm2      6.925 CV     1
 ASSI { 2384}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 77   and name HB3 ))
      2.600     0.800     0.800 peak  2384 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.899 ppm2      3.487 CV     1
 ASSI { 2453}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 55   and name HB2 ))
      2.700     0.900     0.900 peak  2453 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.940 ppm2      2.314 CV     1
 ASSI { 2539}
   (( segid "    " and resid 106  and name HD3 ))
   (  segid "    " and resid 107  and name HE% )
      2.800     0.900     0.900 peak  2539 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.689 ppm2      6.789 CV     1
 ASSI { 2378}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  2378 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.189 ppm2      3.509 CV     1
 ASSI { 2637}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 107  and name HE% )
      2.500     0.800     0.800 peak  2637 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      4.500 ppm2      6.789 CV     1
 ASSI { 2234}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HE3 ))
      2.700     0.900     0.900 peak  2234 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.843 ppm2      7.664 CV     1
 ASSI { 2789}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak  2789 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.200 ppm2      5.458 CV     1
 ASSI { 2524}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      3.200     1.300     1.300 peak  2524 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.210 ppm2      6.923 CV     1
 ASSI { 2489}
   (  segid "    " and resid 80   and name HD1%)
   (  segid "    " and resid 66   and name HB% )
      2.500     0.800     0.800 peak  2489 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1     -0.220 ppm2      1.860 CV     1
 ASSI { 2754}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 98   and name HG3 ))
      2.900     2.900     3.100 peak  2754 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.989 ppm2      2.459 CV     1
 ASSI { 2408}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HD3 ))
      2.500     0.800     0.800 peak  2408 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.656 ppm2      4.092 CV     1
 ASSI { 3024}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak  3024 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.530 ppm2      4.986 CV     1
 ASSI { 2641}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 75   and name HE3 ))
      2.500     0.800     0.800 peak  2641 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      4.796 ppm2      7.038 CV     1
 ASSI { 2944}
   (( segid "    " and resid 106  and name HD2 ))
   (  segid "    " and resid 107  and name HE% )
      2.400     0.700     0.700 peak  2944 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.630 ppm2      6.789 CV     1
 ASSI { 2393}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  2393 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.373 ppm2      4.200 CV     1
 ASSI { 2200}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak  2200 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1     -0.310 ppm2      3.561 CV     1
 ASSI { 2362}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      2.800     2.800     3.200 peak  2362 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.982 ppm2      5.346 CV     1
 ASSI { 2411}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak  2411 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      3.053 ppm2      3.853 CV     1
 ASSI { 2301}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak  2301 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.375 ppm2      4.505 CV     1
 ASSI { 3194}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 38   and name HB3 ))
      2.000     2.000     4.000 peak  3194 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.717 ppm2      2.090 CV     1
 ASSI { 2315}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.300     0.600     0.600 peak  2315 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.652 ppm2      5.458 CV     1
 ASSI { 3097}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 70   and name HA  ))
      2.800     2.800     3.200 peak  3097 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.597 ppm2      4.548 CV     1
 ASSI { 2209}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 20   and name HD% )
      2.400     0.700     0.700 peak  2209 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      3.227 ppm2      6.924 CV     1
 ASSI { 3116}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 103  and name HA  ))
      2.600     0.800     0.800 peak  3116 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.781 ppm2      4.277 CV     1
 ASSI { 2312}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      3.700     1.700     1.700 peak  2312 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.375 ppm2      4.630 CV     1
 ASSI { 3268}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 47   and name HE% )
      3.300     1.300     1.300 peak  3268 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.903 ppm2      7.085 CV     1
 ASSI { 2629}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HD% )
      2.500     0.800     0.800 peak  2629 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      4.264 ppm2      6.968 CV     1
 ASSI { 2762}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 52   and name HG13))
      2.900     1.100     1.100 peak  2762 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.075 ppm2      1.556 CV     1
 ASSI { 3390}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  3390 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.044 ppm2      4.343 CV     1
 ASSI { 2625}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak  2625 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      4.196 ppm2      7.276 CV     1
 ASSI { 2654}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      2.800     2.800     3.200 peak  2654 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.864 ppm2      4.562 CV     1
 ASSI { 2862}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 91   and name HD% )
      2.600     0.800     0.800 peak  2862 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      3.267 ppm2      6.905 CV     1
 ASSI { 2518}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 75   and name HZ2 ))
      3.200     1.300     1.300 peak  2518 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.356 ppm2      7.394 CV     1
 ASSI { 2708}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
      3.100     3.100     2.900 peak  2708 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.868 ppm2      3.053 CV     1
 ASSI { 2599}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 49   and name HE% )
      2.700     0.900     0.900 peak  2599 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.708 ppm2      6.790 CV     1
 ASSI { 2821}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      2.500     0.800     0.800 peak  2821 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      4.556 ppm2      7.288 CV     1
 ASSI { 2188}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak  2188 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      4.393 ppm2      4.674 CV     1
 ASSI { 3034}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  3034 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.963 ppm2      5.248 CV     1
 ASSI { 3298}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak  3298 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.046 ppm2      5.491 CV     1
 ASSI { 2576}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 71   and name HE% )
      2.600     0.800     0.800 peak  2576 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.677 ppm2      7.354 CV     1
 ASSI { 2544}
   (  segid "    " and resid 39   and name HB% )
   (  segid "    " and resid 91   and name HE% )
      2.600     0.900     0.900 peak  2544 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.832 ppm2      6.753 CV     1
 ASSI { 2335}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak  2335 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.036 ppm2      4.549 CV     1
 OR { 2335}
   (( segid "    " and resid 64   and name HE3 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2717}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 82   and name HA2 ))
      2.700     0.900     0.900 peak  2717 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.902 ppm2      3.870 CV     1
 ASSI { 2626}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 107  and name HD% )
      2.500     0.800     0.800 peak  2626 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      4.192 ppm2      7.317 CV     1
 ASSI { 2704}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 68   and name HB2 ))
      2.000     2.000     4.000 peak  2704 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.356 ppm2      2.851 CV     1
 ASSI { 2318}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.000     0.500     0.500 peak  2318 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.835 ppm2      5.458 CV     1
 ASSI { 3403}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.700     2.700     3.300 peak  3403 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.023 ppm2      2.791 CV     1
 ASSI { 2740}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      2.800     2.800     3.200 peak  2740 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.722 ppm2      3.365 CV     1
 ASSI { 2277}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      2.800     2.800     3.200 peak  2277 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.224 ppm2      4.556 CV     1
 ASSI { 2207}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 71   and name HD% )
      2.400     0.700     0.700 peak  2207 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.227 ppm2      7.292 CV     1
 ASSI { 2236}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HE3 ))
      2.700     0.900     0.900 peak  2236 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      4.870 ppm2      7.665 CV     1
 ASSI { 2846}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 91   and name HD% )
      2.500     0.800     0.800 peak  2846 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.853 ppm2      6.907 CV     1
 ASSI { 2819}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 71   and name HE% )
      2.700     2.700     3.300 peak  2819 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.328 ppm2      7.350 CV     1
 ASSI { 2173}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak  2173 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      5.056 ppm2      5.460 CV     1
 ASSI { 2455}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.700     2.700     3.300 peak  2455 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.946 ppm2      3.438 CV     1
 ASSI { 2442}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 55   and name HB3 ))
      2.600     0.800     0.800 peak  2442 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.940 ppm2      2.517 CV     1
 ASSI { 2906}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 65   and name HE% )
      2.500     0.800     0.800 peak  2906 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.270 ppm2      6.660 CV     1
 ASSI { 2487}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
      2.700     2.700     3.300 peak  2487 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.672 ppm2      1.384 CV     1
 ASSI { 2360}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.800     2.800     3.200 peak  2360 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.190 ppm2      5.489 CV     1
 ASSI { 3118}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak  3118 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1     -0.479 ppm2      2.902 CV     1
 ASSI { 3248}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 80   and name HD1%)
      2.400     0.700     0.700 peak  3248 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1     -0.479 ppm2     -0.220 CV     1
 ASSI { 2212}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak  2212 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.317 ppm2      7.633 CV     1
 ASSI { 2414}
   (( segid "    " and resid 93   and name HD3 ))
   (( segid "    " and resid 90   and name HA  ))
      2.000     2.000     4.000 peak  2414 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      3.266 ppm2      3.951 CV     1
 ASSI { 2561}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 75   and name HH2 ))
      2.500     0.800     0.800 peak  2561 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.855 ppm2      7.171 CV     1
 ASSI { 2602}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 91   and name HE% )
      2.600     0.900     0.900 peak  2602 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.270 ppm2      6.753 CV     1
 ASSI { 2523}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 65   and name HD% )
      2.800     1.000     1.000 peak  2523 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.269 ppm2      6.967 CV     1
 ASSI { 3192}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 100  and name HG13))
      2.400     0.700     0.700 peak  3192 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.528 ppm2      1.596 CV     1
 ASSI { 2254}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 75   and name HZ2 ))
      2.600     0.800     0.800 peak  2254 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1     -0.220 ppm2      7.394 CV     1
 ASSI { 2577}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 71   and name HD% )
      2.800     1.000     1.000 peak  2577 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.679 ppm2      7.288 CV     1
 ASSI { 2438}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 91   and name HB2 ))
      2.400     0.700     0.700 peak  2438 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.834 ppm2      3.056 CV     1
 ASSI { 2443}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.700     0.700 peak  2443 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.375 ppm2      2.326 CV     1
 ASSI { 3401}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 80   and name HD2%)
      2.600     0.800     0.800 peak  3401 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1     -0.479 ppm2      0.356 CV     1
 ASSI { 2987}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 20   and name HE% )
      2.900     2.900     3.100 peak  2987 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      3.213 ppm2      6.323 CV     1
 ASSI { 2466}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 38   and name HB2 ))
      2.600     2.600     3.400 peak  2466 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.646 ppm2      2.023 CV     1
 ASSI { 3311}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak  3311 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.738 ppm2      4.620 CV     1
 ASSI { 2621}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 75   and name HZ3 ))
      2.600     0.800     0.800 peak  2621 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      4.796 ppm2      7.212 CV     1
 ASSI { 2514}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 68   and name HE3 ))
      2.400     0.700     0.700 peak  2514 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.356 ppm2      7.668 CV     1
 ASSI { 2764}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 100  and name HG12))
      2.700     0.900     0.900 peak  2764 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.017 ppm2      1.445 CV     1
 ASSI { 2917}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 20   and name HE% )
      2.500     0.800     0.800 peak  2917 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.479 ppm2      6.326 CV     1
 ASSI { 2745}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 91   and name HB3 ))
      2.600     0.900     0.900 peak  2745 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.873 ppm2      3.365 CV     1
 ASSI { 2916}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 20   and name HE% )
      2.400     0.700     0.700 peak  2916 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.528 ppm2      6.326 CV     1
 ASSI { 2749}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 47   and name HB3 ))
      2.500     0.800     0.800 peak  2749 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.969 ppm2      2.922 CV     1
 ASSI { 3065}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     3.000     3.000 peak  3065 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      3.859 ppm2      4.732 CV     1
 ASSI { 2859}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      2.700     2.700     3.300 peak  2859 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      4.332 ppm2      7.295 CV     1
 ASSI { 2688}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     3.100     2.900 peak  2688 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.370 ppm2      4.126 CV     1
 ASSI { 3328}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
      2.800     2.800     3.200 peak  3328 spectrum    2 weight  0.10000E+01 volume  0.30112E-02 ppm1      2.942 ppm2      6.326 CV     1
 ASSI { 2907}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 65   and name HE% )
      3.200     3.200     2.800 peak  2907 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.160 ppm2      6.657 CV     1
 ASSI { 2201}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak  2201 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.695 ppm2      5.147 CV     1
 ASSI { 3014}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  3014 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      1.408 ppm2      5.831 CV     1
 ASSI { 2864}
   (  segid "    " and resid 42   and name HB% )
   (  segid "    " and resid 91   and name HD% )
      2.700     0.900     0.900 peak  2864 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.661 ppm2      6.909 CV     1
 ASSI { 2222}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD% )
      2.500     0.800     0.800 peak  2222 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.803 ppm2      6.910 CV     1
 ASSI { 2902}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 71   and name HD% )
      2.800     2.800     3.200 peak  2902 spectrum    2 weight  0.10000E+01 volume  0.30112E-02 ppm1      0.477 ppm2      7.292 CV     1
 ASSI { 2805}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 75   and name HH2 ))
      2.500     0.800     0.800 peak  2805 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      6.656 ppm2      7.171 CV     1
 ASSI { 2689}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak  2689 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.314 ppm2      3.904 CV     1
 ASSI { 2706}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 92   and name HG3 ))
      2.000     2.000     4.000 peak  2706 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.010 ppm2      2.767 CV     1
 OR { 2706}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 92   and name HG3 ))
 ASSI { 2210}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HD% )
      2.500     0.800     0.800 peak  2210 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      5.143 ppm2      6.927 CV     1
 ASSI { 2931}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 20   and name HE% )
      3.100     1.200     1.200 peak  2931 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.939 ppm2      6.329 CV     1
 ASSI { 2617}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      3.000     1.200     1.200 peak  2617 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      5.458 ppm2      7.289 CV     1
 ASSI { 2988}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HZ3 ))
      3.000     3.000     3.000 peak  2988 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      3.174 ppm2      7.213 CV     1
 ASSI { 2428}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      2.700     2.700     3.300 peak  2428 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.598 ppm2      3.395 CV     1
 ASSI { 2788}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     2.600     3.400 peak  2788 spectrum    2 weight  0.10000E+01 volume  0.30112E-02 ppm1      3.561 ppm2      5.458 CV     1
 ASSI { 3042}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  3042 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      1.727 ppm2      5.245 CV     1
 ASSI { 2569}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 75   and name HZ2 ))
      3.200     3.200     2.800 peak  2569 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.007 ppm2      7.396 CV     1
 ASSI { 2829}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 71   and name HD% )
      2.400     0.700     0.700 peak  2829 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.714 ppm2      7.289 CV     1
 ASSI { 2990}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 68   and name HE3 ))
      2.900     2.900     3.100 peak  2990 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      3.184 ppm2      7.668 CV     1
 OR { 2990}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 68   and name HE3 ))
 ASSI { 2303}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     2.600     3.400 peak  2303 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.523 ppm2      4.674 CV     1
 ASSI { 2720}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.800     2.800     3.200 peak  2720 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.074 ppm2      3.912 CV     1
 ASSI { 2211}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak  2211 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      3.488 ppm2      7.633 CV     1
 ASSI { 2344}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     2.700     3.300 peak  2344 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.289 ppm2      5.371 CV     1
 ASSI { 3003}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 91   and name HD% )
      2.700     0.900     0.900 peak  3003 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.452 ppm2      6.910 CV     1
 ASSI { 2270}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      2.300     0.700     0.700 peak  2270 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.202 ppm2      2.655 CV     1
 ASSI { 3372}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 47   and name HE% )
      2.400     0.700     0.700 peak  3372 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.075 ppm2      7.089 CV     1
 ASSI { 2918}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 20   and name HD% )
      2.500     0.800     0.800 peak  2918 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.679 ppm2      6.928 CV     1
 ASSI { 3189}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HB3 ))
      2.400     0.700     0.700 peak  3189 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.527 ppm2      1.891 CV     1
 ASSI { 3006}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      2.700     2.700     3.300 peak  3006 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      5.142 ppm2      6.325 CV     1
 ASSI { 3209}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak  3209 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.528 ppm2      1.282 CV     1
 ASSI { 2728}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     2.600     3.400 peak  2728 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.329 ppm2      4.114 CV     1
 ASSI { 3046}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     2.800     3.200 peak  3046 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      1.968 ppm2      5.244 CV     1
 ASSI { 3056}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     2.700     3.300 peak  3056 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      4.982 ppm2      5.494 CV     1
 ASSI { 3053}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     2.800     3.200 peak  3053 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      3.740 ppm2      5.516 CV     1
 ASSI { 2915}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 65   and name HE% )
      3.100     3.100     2.900 peak  2915 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      0.550 ppm2      6.661 CV     1
 ASSI { 3306}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HB3 ))
      2.400     0.700     0.700 peak  3306 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.533 ppm2      1.071 CV     1
 ASSI { 2867}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 107  and name HD% )
      3.700     3.700     2.300 peak  2867 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.486 ppm2      7.316 CV     1
 ASSI { 3250}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 75   and name HH2 ))
      2.700     2.700     3.300 peak  3250 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.820 ppm2      7.170 CV     1
 ASSI { 2402}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak  2402 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.438 ppm2      3.561 CV     1
 ASSI { 2488}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak  2488 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1     -0.220 ppm2      2.139 CV     1
 ASSI { 2808}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 75   and name HZ3 ))
      2.800     2.800     3.200 peak  2808 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      6.963 ppm2      7.206 CV     1
 ASSI { 3153}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 90   and name HB2 ))
      3.100     3.100     2.900 peak  3153 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.903 ppm2      2.462 CV     1
 ASSI { 2858}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 71   and name HE% )
      3.200     3.200     2.800 peak  2858 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      5.456 ppm2      7.351 CV     1
 ASSI { 2949}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 20   and name HD% )
      2.500     0.800     0.800 peak  2949 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.691 ppm2      6.926 CV     1
 ASSI { 2603}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HE3 ))
      2.400     0.700     0.700 peak  2603 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      3.185 ppm2      7.037 CV     1
 ASSI { 3013}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  3013 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.047 ppm2      5.832 CV     1
 ASSI { 2214}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 32   and name HE% )
      2.900     2.900     3.100 peak  2214 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.473 ppm2      7.549 CV     1
 ASSI { 3304}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak  3304 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.318 ppm2      4.607 CV     1
 ASSI { 2606}
   (( segid "    " and resid 92   and name HG2 ))
   (  segid "    " and resid 91   and name HE% )
      2.500     0.800     0.800 peak  2606 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      2.551 ppm2      6.755 CV     1
 ASSI { 2319}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  2319 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      4.594 ppm2      5.460 CV     1
 ASSI { 2394}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 101  and name HA  ))
      2.500     0.800     0.800 peak  2394 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.472 ppm2      4.038 CV     1
 ASSI { 2839}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak  2839 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.328 ppm2      7.276 CV     1
 ASSI { 3374}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 65   and name HE% )
      2.800     2.800     3.200 peak  3374 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      1.250 ppm2      6.655 CV     1
 ASSI { 3011}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  3011 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      0.812 ppm2      5.834 CV     1
 ASSI { 2993}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      3.200     1.300     1.300 peak  2993 spectrum    2 weight  0.10000E+01 volume  0.30249E-02 ppm1      3.505 ppm2      6.326 CV     1
 ASSI { 2347}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     2.900     3.100 peak  2347 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.352 ppm2      5.245 CV     1
 ASSI { 2767}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 50   and name HG2%)
      2.500     0.800     0.800 peak  2767 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.210 ppm2      0.823 CV     1
 ASSI { 2334}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak  2334 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      3.879 ppm2      4.554 CV     1
 ASSI { 2803}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.000     2.000     4.000 peak  2803 spectrum    2 weight  0.10000E+01 volume  0.30112E-02 ppm1      3.554 ppm2      4.882 CV     1
 ASSI { 2827}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 71   and name HE% )
      2.800     2.800     3.200 peak  2827 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      2.835 ppm2      7.352 CV     1
 ASSI { 3026}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      2.000     2.000     4.000 peak  3026 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.188 ppm2      5.183 CV     1
 ASSI { 3351}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.500     0.800     0.800 peak  3351 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.229 ppm2      1.914 CV     1
 OR { 3351}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 2473}
   (  segid "    " and resid 80   and name HD2%)
   (  segid "    " and resid 66   and name HB% )
      2.400     0.700     0.700 peak  2473 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.356 ppm2      1.860 CV     1
 ASSI { 3359}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.500     0.800     0.800 peak  3359 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.258 ppm2      2.518 CV     1
 ASSI { 3047}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     2.800     3.200 peak  3047 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      2.326 ppm2      5.243 CV     1
 ASSI { 2221}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HD% )
      2.800     1.000     1.000 peak  2221 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      4.984 ppm2      7.276 CV     1
 ASSI { 2192}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  2192 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.189 ppm2      5.834 CV     1
 ASSI { 2659}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 78   and name HA2 ))
      3.100     1.200     1.200 peak  2659 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.820 ppm2      4.280 CV     1
 ASSI { 2856}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HH2 ))
      2.500     0.800     0.800 peak  2856 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      4.264 ppm2      7.170 CV     1
 ASSI { 2228}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 65   and name HD% )
      2.400     0.700     0.700 peak  2228 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.159 ppm2      6.968 CV     1
 ASSI { 2981}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HE% )
      2.900     2.900     3.100 peak  2981 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      2.927 ppm2      7.085 CV     1
 ASSI { 3060}
   (( segid "    " and resid 78   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     2.600     3.400 peak  3060 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.262 ppm2      4.800 CV     1
 ASSI { 3140}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 93   and name HD3 ))
      2.500     0.800     0.800 peak  3140 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      2.317 ppm2      3.275 CV     1
 ASSI { 3285}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.000     3.000     3.000 peak  3285 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      0.674 ppm2      5.062 CV     1
 ASSI { 3004}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 68   and name HZ2 ))
      2.900     2.900     3.100 peak  3004 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.719 ppm2      7.525 CV     1
 ASSI { 3015}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     2.700     3.300 peak  3015 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.816 ppm2      5.834 CV     1
 ASSI { 2866}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 107  and name HD% )
      3.000     3.000     3.000 peak  2866 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.500 ppm2      7.321 CV     1
 ASSI { 2980}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HE% )
      2.400     0.700     0.700 peak  2980 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      3.062 ppm2      7.085 CV     1
 ASSI { 2869}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 107  and name HD% )
      3.500     1.500     1.500 peak  2869 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      2.326 ppm2      7.315 CV     1
 ASSI { 2364}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.500     2.500     3.500 peak  2364 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.969 ppm2      4.988 CV     1
 ASSI { 2855}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 47   and name HE% )
      2.800     2.800     3.200 peak  2855 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      5.829 ppm2      7.088 CV     1
 ASSI { 3132}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
      2.000     2.000     4.000 peak  3132 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.282 ppm2      2.846 CV     1
 ASSI { 3180}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HG3 ))
      2.600     2.600     3.400 peak  3180 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.270 ppm2      2.355 CV     1
 ASSI { 2229}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
      2.600     0.800     0.800 peak  2229 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.044 ppm2      6.968 CV     1
 ASSI { 3324}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HA  ))
      2.700     0.900     0.900 peak  3324 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.726 ppm2      4.314 CV     1
 ASSI { 3016}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     2.700     3.300 peak  3016 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      5.145 ppm2      5.834 CV     1
 ASSI { 2213}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HE% )
      2.900     2.900     3.100 peak  2213 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      3.317 ppm2      7.548 CV     1
 ASSI { 2794}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 68   and name HE3 ))
      2.500     0.800     0.800 peak  2794 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1     -0.220 ppm2      7.668 CV     1
 ASSI { 2909}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 49   and name HE% )
      2.800     2.800     3.200 peak  2909 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      0.475 ppm2      6.789 CV     1
 ASSI { 2610}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 49   and name HE% )
      2.500     0.800     0.800 peak  2610 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.905 ppm2      6.790 CV     1
 ASSI { 2820}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HD% )
      2.600     0.800     0.800 peak  2820 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      4.591 ppm2      7.288 CV     1
 ASSI { 2532}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 65   and name HD% )
      2.800     1.000     1.000 peak  2532 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.795 ppm2      6.968 CV     1
 ASSI { 3052}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     2.700     3.300 peak  3052 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.900 ppm2      5.510 CV     1
 ASSI { 2942}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 68   and name HE3 ))
      2.800     1.000     1.000 peak  2942 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.853 ppm2      7.665 CV     1
 ASSI { 3078}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     2.800     3.200 peak  3078 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.078 ppm2      4.451 CV     1
 ASSI { 3019}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      2.700     2.700     3.300 peak  3019 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.530 ppm2      5.492 CV     1
 ASSI { 3051}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     3.100     2.900 peak  3051 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.194 ppm2      4.986 CV     1
 ASSI { 2998}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 107  and name HE% )
      2.800     1.000     1.000 peak  2998 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.273 ppm2      6.789 CV     1
 ASSI { 2352}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      2.900     2.900     3.100 peak  2352 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1     -0.218 ppm2      4.268 CV     1
 ASSI { 2175}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak  2175 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.384 ppm2      5.372 CV     1
 ASSI { 2186}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak  2186 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      3.432 ppm2      4.608 CV     1
 ASSI { 3074}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     2.600     3.400 peak  3074 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      4.261 ppm2      4.554 CV     1
 ASSI { 2612}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HZ2 ))
      3.100     1.200     1.200 peak  2612 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      4.262 ppm2      7.400 CV     1
 ASSI { 3260}
   (  segid "    " and resid 41   and name HB% )
   (  segid "    " and resid 47   and name HE% )
      2.500     0.800     0.800 peak  3260 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.552 ppm2      7.090 CV     1
 ASSI { 2908}
   (  segid "    " and resid 8    and name HD1%)
   (  segid "    " and resid 65   and name HE% )
      3.000     1.100     1.100 peak  2908 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.215 ppm2      6.660 CV     1
 ASSI { 2521}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 71   and name HE% )
      2.500     0.800     0.800 peak  2521 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.214 ppm2      7.351 CV     1
 ASSI { 3251}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 65   and name HE% )
      2.600     0.800     0.800 peak  3251 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.725 ppm2      6.660 CV     1
 ASSI { 3058}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     2.800     3.200 peak  3058 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      5.073 ppm2      5.243 CV     1
 ASSI { 2343}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     2.400     3.600 peak  2343 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.091 ppm2      5.460 CV     1
 ASSI { 2962}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 68   and name HZ3 ))
      2.600     2.600     3.400 peak  2962 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.217 ppm2      7.087 CV     1
 ASSI { 2941}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 65   and name HD% )
      3.000     3.000     3.000 peak  2941 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.782 ppm2      6.968 CV     1
 ASSI { 2861}
   (( segid "    " and resid 91   and name HB3 ))
   (  segid "    " and resid 91   and name HD% )
      2.400     0.700     0.700 peak  2861 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.352 ppm2      6.907 CV     1
 ASSI { 3127}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 20   and name HB3 ))
      3.000     1.100     1.100 peak  3127 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.681 ppm2      3.245 CV     1
 ASSI { 3087}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     2.800     3.200 peak  3087 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.052 ppm2      4.453 CV     1
 ASSI { 3305}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  3305 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.034 ppm2      3.873 CV     1
 ASSI { 3313}
   (( segid "    " and resid 17   and name HG12))
   (  segid "    " and resid 17   and name HD1%)
      2.400     0.700     0.700 peak  3313 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.097 ppm2      1.738 CV     1
 ASSI { 2964}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 47   and name HE% )
      2.900     2.900     3.100 peak  2964 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      2.079 ppm2      7.101 CV     1
 ASSI { 3101}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 17   and name HA  ))
      2.900     2.900     3.100 peak  3101 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.530 ppm2      4.617 CV     1
 ASSI { 2705}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak  2705 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.967 ppm2      2.825 CV     1
 ASSI { 3020}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      3.100     3.100     2.900 peak  3020 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.328 ppm2      5.344 CV     1
 ASSI { 2920}
   (  segid "    " and resid 52   and name HG2%)
   (  segid "    " and resid 20   and name HE% )
      2.500     0.800     0.800 peak  2920 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.677 ppm2      6.327 CV     1
 ASSI { 2936}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 65   and name HE% )
      2.800     1.000     1.000 peak  2936 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.562 ppm2      6.660 CV     1
 ASSI { 2616}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 71   and name HE% )
      2.800     2.800     3.200 peak  2616 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      5.143 ppm2      7.352 CV     1
 ASSI { 2365}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak  2365 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      1.017 ppm2      5.073 CV     1
 ASSI { 2256}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 75   and name HH2 ))
      2.800     2.800     3.200 peak  2256 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1     -0.220 ppm2      7.170 CV     1
 ASSI { 2179}
   (( segid "    " and resid 112  and name HD3 ))
   (( segid "    " and resid 111  and name HA  ))
      2.400     0.700     0.700 peak  2179 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.797 ppm2      4.611 CV     1
 ASSI { 3031}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  3031 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      0.732 ppm2      5.243 CV     1
 ASSI { 2873}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak  2873 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.327 ppm2      3.873 CV     1
 ASSI { 2342}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     2.800     3.200 peak  2342 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.666 ppm2      5.514 CV     1
 ASSI { 2800}
   (( segid "    " and resid 72   and name HD2 ))
   (  segid "    " and resid 32   and name HD% )
      2.800     2.800     3.200 peak  2800 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.561 ppm2      7.635 CV     1
 ASSI { 2553}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 75   and name HE3 ))
      2.500     0.800     0.800 peak  2553 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.820 ppm2      7.039 CV     1
 ASSI { 2945}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 107  and name HE% )
      3.000     3.000     3.000 peak  2945 spectrum    2 weight  0.10000E+01 volume  0.29691E-02 ppm1      1.530 ppm2      6.789 CV     1
 ASSI { 2199}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 8    and name HG2%)
      2.500     0.800     0.800 peak  2199 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1     -0.310 ppm2      0.272 CV     1
 ASSI { 2551}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 65   and name HD% )
      2.500     0.800     0.800 peak  2551 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.725 ppm2      6.968 CV     1
 ASSI { 2223}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
      2.500     0.800     0.800 peak  2223 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.052 ppm2      6.908 CV     1
 ASSI { 2490}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 66   and name HB% )
      2.800     2.800     3.200 peak  2490 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1     -0.314 ppm2      1.860 CV     1
 ASSI { 3057}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak  3057 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      5.344 ppm2      5.490 CV     1
 ASSI { 3422}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     2.800     3.200 peak  3422 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      3.876 ppm2      5.062 CV     1
 ASSI { 2314}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     2.600     3.400 peak  2314 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.969 ppm2      4.985 CV     1
 ASSI { 2972}
   (( segid "    " and resid 9    and name HG3 ))
   (  segid "    " and resid 65   and name HE% )
      2.600     0.800     0.800 peak  2972 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.351 ppm2      6.662 CV     1
 ASSI { 3385}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      2.600     0.800     0.800 peak  3385 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      3.699 ppm2      6.906 CV     1
 ASSI { 2313}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 70   and name HB  ))
      2.900     2.900     3.100 peak  2313 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.083 ppm2      4.395 CV     1
 ASSI { 2248}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 107  and name HD% )
      2.400     0.700     0.700 peak  2248 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.652 ppm2      7.322 CV     1
 ASSI { 3029}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.800     2.800     3.200 peak  3029 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.732 ppm2      5.488 CV     1
 ASSI { 2802}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     3.000     3.000 peak  2802 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      4.092 ppm2      4.880 CV     1
 ASSI { 2407}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.400     0.800     0.800 peak  2407 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      2.653 ppm2      4.196 CV     1
 ASSI { 2359}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      2.800     0.900     0.900 peak  2359 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.224 ppm2      5.513 CV     1
 ASSI { 3035}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 76   and name HA  ))
      3.000     3.000     3.000 peak  3035 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.134 ppm2      5.243 CV     1
 ASSI { 2381}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      2.900     2.900     3.100 peak  2381 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.188 ppm2      3.671 CV     1
 ASSI { 3354}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak  3354 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.762 ppm2      4.517 CV     1
 OR { 3354}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 2963}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 47   and name HE% )
      2.500     0.800     0.800 peak  2963 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      2.163 ppm2      7.089 CV     1
 ASSI { 2678}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  2678 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      4.352 ppm2      4.505 CV     1
 ASSI { 2171}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  2171 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      4.610 ppm2      5.243 CV     1
 ASSI { 2336}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak  2336 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.501 ppm2      4.581 CV     1
 ASSI { 2760}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 15   and name HB2 ))
      2.700     2.700     3.300 peak  2760 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.820 ppm2      1.907 CV     1
 ASSI { 3229}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB3 ))
      2.300     0.700     0.700 peak  3229 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1     -0.479 ppm2      1.031 CV     1
 ASSI {  921}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   921 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.395 ppm2      4.296 CV     1
 ASSI { 1396}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak  1396 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.630 ppm2      4.308 CV     1
 ASSI { 1550}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.300     0.600     0.600 peak  1550 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.459 ppm2      2.880 CV     1
 ASSI {  272}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     2.700     3.300 peak   272 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.978 ppm2      4.138 CV     1
 ASSI {  482}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   482 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.632 ppm2      4.114 CV     1
 ASSI { 1423}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HB  ))
      2.400     0.700     0.700 peak  1423 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.821 ppm2      1.633 CV     1
 ASSI { 1331}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HG  ))
      2.500     0.800     0.800 peak  1331 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1     -0.220 ppm2      0.250 CV     1
 ASSI {  541}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak   541 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.466 ppm2      4.792 CV     1
 ASSI {  601}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HB  ))
      2.500     0.800     0.800 peak   601 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.984 ppm2      2.084 CV     1
 ASSI { 1484}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HG12))
      2.500     0.800     0.800 peak  1484 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.717 ppm2      1.471 CV     1
 ASSI {  759}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   759 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.922 ppm2      4.984 CV     1
 ASSI {  797}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 50   and name HB  ))
      2.500     0.800     0.800 peak   797 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.475 ppm2      1.695 CV     1
 ASSI { 1976}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     3.000     3.000 peak  1976 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.776 ppm2      3.955 CV     1
 ASSI {   41}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG13))
      2.500     0.800     0.800 peak    41 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.788 ppm2      1.449 CV     1
 ASSI {  858}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   858 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.472 ppm2      4.140 CV     1
 ASSI {  596}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   596 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.076 ppm2      3.487 CV     1
 ASSI { 1623}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HD3 ))
      3.000     1.100     1.100 peak  1623 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.846 ppm2      3.252 CV     1
 ASSI { 1521}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HA  ))
      2.700     0.900     0.900 peak  1521 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.190 ppm2      4.124 CV     1
 ASSI { 1258}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1258 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.017 ppm2      5.243 CV     1
 ASSI {  605}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HB  ))
      2.500     0.800     0.800 peak   605 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.075 ppm2      2.076 CV     1
 ASSI { 1997}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HA  ))
      2.500     0.800     0.800 peak  1997 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      3.397 ppm2      4.639 CV     1
 ASSI {  984}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   984 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.787 ppm2      4.550 CV     1
 ASSI {  685}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.300     0.700     0.700 peak   685 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.814 ppm2      3.559 CV     1
 ASSI {  966}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   966 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.940 ppm2      3.401 CV     1
 ASSI { 2117}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 112  and name HD3 ))
      2.700     0.900     0.900 peak  2117 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.305 ppm2      3.811 CV     1
 ASSI { 1857}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1857 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.106 ppm2      4.038 CV     1
 ASSI {  302}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   302 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      1.229 ppm2      1.557 CV     1
 OR {  302}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  735}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HD2 ))
      2.500     0.800     0.800 peak   735 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.582 ppm2      3.203 CV     1
 OR {  735}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HD3 ))
 ASSI { 1878}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 101  and name HA  ))
      2.700     2.700     3.300 peak  1878 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.742 ppm2      4.040 CV     1
 ASSI { 1268}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  1268 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.326 ppm2      4.505 CV     1
 ASSI { 1330}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak  1330 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1     -0.220 ppm2      2.902 CV     1
 ASSI {  347}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.200     0.600     0.600 peak   347 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.278 ppm2      1.897 CV     1
 ASSI { 1222}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak  1222 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.898 ppm2      5.073 CV     1
 ASSI {  287}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.300     0.700     0.700 peak   287 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.903 ppm2      2.909 CV     1
 ASSI { 1734}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HA  ))
      2.400     0.700     0.700 peak  1734 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.142 ppm2      3.834 CV     1
 ASSI {  300}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.800     1.000     1.000 peak   300 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.539 ppm2      3.646 CV     1
 ASSI {  705}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak   705 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.095 ppm2      4.919 CV     1
 OR {  705}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1421}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HG13))
      2.500     0.800     0.800 peak  1421 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.826 ppm2      2.084 CV     1
 ASSI { 1259}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      2.500     0.800     0.800 peak  1259 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.009 ppm2      1.847 CV     1
 ASSI { 1500}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      2.500     0.800     0.800 peak  1500 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.964 ppm2      3.857 CV     1
 ASSI { 1806}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak  1806 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.154 ppm2      3.705 CV     1
 ASSI { 1228}
   (( segid "    " and resid 75   and name HE3 ))
   (( segid "    " and resid 75   and name HZ3 ))
      2.500     0.800     0.800 peak  1228 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      7.032 ppm2      7.211 CV     1
 ASSI {  367}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG  ))
      2.400     0.700     0.700 peak   367 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.190 ppm2      0.865 CV     1
 ASSI {  837}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
      2.900     1.100     1.100 peak   837 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.224 ppm2      0.683 CV     1
 ASSI { 1240}
   (( segid "    " and resid 75   and name HH2 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.500     0.800     0.800 peak  1240 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      7.168 ppm2      7.398 CV     1
 ASSI {  250}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 12   and name HG2%)
      2.400     0.700     0.700 peak   250 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1     -0.316 ppm2      0.823 CV     1
 ASSI { 1902}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      2.070 ppm2      4.085 CV     1
 ASSI {  442}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HA2 ))
      2.300     0.700     0.700 peak   442 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      3.743 ppm2      4.393 CV     1
 ASSI {  517}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HG  ))
      2.500     0.800     0.800 peak   517 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.848 ppm2      1.316 CV     1
 OR {  517}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HG  ))
 ASSI { 1695}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
      2.500     0.800     0.800 peak  1695 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.027 ppm2      4.178 CV     1
 ASSI { 1461}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HB  ))
      2.400     0.700     0.700 peak  1461 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.816 ppm2      2.128 CV     1
 ASSI { 1676}
   (( segid "    " and resid 94   and name HA1 ))
   (( segid "    " and resid 94   and name HA2 ))
      2.300     0.700     0.700 peak  1676 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      3.715 ppm2      4.205 CV     1
 ASSI {  418}
   (  segid "    " and resid 20   and name HD% )
   (  segid "    " and resid 71   and name HD% )
      2.800     1.000     1.000 peak   418 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      6.921 ppm2      7.295 CV     1
 ASSI {  308}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.300     0.700     0.700 peak   308 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      3.462 ppm2      3.646 CV     1
 ASSI {  346}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   346 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.282 ppm2      4.987 CV     1
 ASSI {  529}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   529 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      3.977 ppm2      4.687 CV     1
 ASSI {  539}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      2.300     0.700     0.700 peak   539 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.878 ppm2      3.466 CV     1
 ASSI {  877}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   877 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.078 ppm2      1.515 CV     1
 ASSI {  364}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   364 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.190 ppm2      4.986 CV     1
 ASSI {  623}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   623 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.073 ppm2      3.955 CV     1
 ASSI {   88}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak    88 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.473 ppm2      3.897 CV     1
 ASSI {  944}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   944 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.762 ppm2      4.429 CV     1
 ASSI { 1995}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HB3 ))
      2.300     0.700     0.700 peak  1995 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.652 ppm2      3.397 CV     1
 ASSI { 1658}
   (( segid "    " and resid 93   and name HD3 ))
   (( segid "    " and resid 93   and name HA  ))
      3.100     1.200     1.200 peak  1658 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      3.252 ppm2      4.483 CV     1
 ASSI {  932}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HD3 ))
      2.300     0.700     0.700 peak   932 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      3.384 ppm2      3.897 CV     1
 ASSI {  796}
   (  segid "    " and resid 50   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   796 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.473 ppm2      3.673 CV     1
 ASSI { 1254}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1254 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.883 ppm2      5.243 CV     1
 ASSI {  276}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   276 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.198 ppm2      4.138 CV     1
 ASSI {  476}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   476 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      1.714 ppm2      4.114 CV     1
 ASSI {  586}
   (  segid "    " and resid 36   and name HB% )
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   586 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.419 ppm2      3.946 CV     1
 ASSI { 1332}
   (  segid "    " and resid 80   and name HD1%)
   (  segid "    " and resid 80   and name HD2%)
      2.500     0.800     0.800 peak  1332 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1     -0.220 ppm2      0.356 CV     1
 ASSI { 1650}
   (( segid "    " and resid 93   and name HD2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  1650 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      3.179 ppm2      4.482 CV     1
 ASSI { 1255}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 76   and name HB  ))
      2.500     0.800     0.800 peak  1255 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.883 ppm2      1.845 CV     1
 ASSI {   21}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.500     0.800     0.800 peak    21 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.725 ppm2      1.782 CV     1
 ASSI {  963}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak   963 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.821 ppm2      1.854 CV     1
 ASSI { 1276}
   (( segid "    " and resid 78   and name HA1 ))
   (( segid "    " and resid 78   and name HA2 ))
      2.300     0.700     0.700 peak  1276 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      3.634 ppm2      4.277 CV     1
 ASSI {  570}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.300     0.700     0.700 peak   570 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      3.853 ppm2      4.092 CV     1
 ASSI { 1593}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HG3 ))
      2.300     0.700     0.700 peak  1593 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.555 ppm2      2.761 CV     1
 ASSI {  800}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   800 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.811 ppm2      3.679 CV     1
 ASSI {  947}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak   947 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.840 ppm2      4.429 CV     1
 ASSI {  866}
   (( segid "    " and resid 53   and name HG  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.400     0.700     0.700 peak   866 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.651 ppm2      2.481 CV     1
 ASSI { 1354}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  1354 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.673 ppm2      3.701 CV     1
 ASSI { 1379}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB3 ))
      2.300     0.700     0.700 peak  1379 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      2.669 ppm2      3.116 CV     1
 ASSI {  604}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   604 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.075 ppm2      3.487 CV     1
 ASSI { 1754}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
      2.600     0.800     0.800 peak  1754 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      2.095 ppm2      4.079 CV     1
 ASSI {   86}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak    86 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.993 ppm2      2.836 CV     1
 ASSI {  309}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     2.600     3.400 peak   309 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      3.640 ppm2      4.352 CV     1
 ASSI {  401}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   401 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.873 ppm2      5.488 CV     1
 ASSI { 1206}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  1206 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.873 ppm2      5.344 CV     1
 ASSI { 1081}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak  1081 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      3.229 ppm2      4.278 CV     1
 ASSI { 1631}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HD3 ))
      2.700     2.700     3.300 peak  1631 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.881 ppm2      3.252 CV     1
 ASSI { 1460}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  1460 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.818 ppm2      3.369 CV     1
 ASSI { 1489}
   (( segid "    " and resid 88   and name HG12))
   (( segid "    " and resid 88   and name HB  ))
      2.500     0.800     0.800 peak  1489 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.471 ppm2      2.148 CV     1
 ASSI {  692}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 44   and name HA2 ))
      2.300     0.700     0.700 peak   692 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      3.855 ppm2      4.110 CV     1
 ASSI { 2128}
   (( segid "    " and resid 112  and name HD3 ))
   (( segid "    " and resid 112  and name HA  ))
      2.600     2.600     3.400 peak  2128 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      3.800 ppm2      4.440 CV     1
 ASSI { 1208}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.500     0.800     0.800 peak  1208 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      0.880 ppm2      1.383 CV     1
 ASSI {  958}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak   958 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.857 ppm2      3.401 CV     1
 ASSI { 2112}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HD3 ))
      2.900     1.100     1.100 peak  2112 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.944 ppm2      3.793 CV     1
 ASSI {  527}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      2.400     0.700     0.700 peak   527 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      3.412 ppm2      3.977 CV     1
 ASSI { 1979}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HG3 ))
      2.300     0.600     0.600 peak  1979 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.781 ppm2      1.341 CV     1
 ASSI {   96}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak    96 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.178 ppm2      1.991 CV     1
 ASSI {  305}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     2.700     3.300 peak   305 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      3.460 ppm2      4.352 CV     1
 ASSI { 1457}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 87   and name HB  ))
      2.500     0.800     0.800 peak  1457 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.783 ppm2      2.125 CV     1
 ASSI {   97}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.300     0.700     0.700 peak    97 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.178 ppm2      1.494 CV     1
 ASSI {  365}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   365 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.189 ppm2      1.286 CV     1
 ASSI { 1719}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
      2.600     0.800     0.800 peak  1719 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.014 ppm2      3.999 CV     1
 OR { 1719}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI {   35}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HG13))
      2.300     0.600     0.600 peak    35 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.241 ppm2      1.462 CV     1
 ASSI { 2027}
   (( segid "    " and resid 108  and name HE3 ))
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.900     0.900 peak  2027 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.989 ppm2      4.357 CV     1
 OR { 2027}
   (( segid "    " and resid 108  and name HE2 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI {  131}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak   131 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.217 ppm2      3.394 CV     1
 ASSI { 1358}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  1358 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.829 ppm2      3.701 CV     1
 ASSI { 1476}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 88   and name HA  ))
      2.500     0.800     0.800 peak  1476 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      2.148 ppm2      3.853 CV     1
 ASSI {   89}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.500     0.800     0.800 peak    89 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.501 ppm2      1.903 CV     1
 ASSI { 1152}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.500     0.800     0.800 peak  1152 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.007 ppm2      4.378 CV     1
 ASSI { 1078}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak  1078 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      2.736 ppm2      4.278 CV     1
 ASSI { 1456}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  1456 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.783 ppm2      3.369 CV     1
 ASSI { 1931}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 103  and name HA  ))
      2.400     0.700     0.700 peak  1931 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.375 ppm2      4.277 CV     1
 ASSI { 1646}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HD2 ))
      2.700     0.900     0.900 peak  1646 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.001 ppm2      3.183 CV     1
 ASSI { 1503}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HG12))
      2.900     1.100     1.100 peak  1503 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.965 ppm2      1.471 CV     1
 ASSI {  870}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   870 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.865 ppm2      4.140 CV     1
 ASSI { 1932}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 103  and name HB  ))
      2.400     0.700     0.700 peak  1932 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.375 ppm2      3.925 CV     1
 ASSI {  798}
   (  segid "    " and resid 50   and name HG1%)
   (  segid "    " and resid 50   and name HG2%)
      2.500     0.800     0.800 peak   798 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.475 ppm2      0.811 CV     1
 ASSI {  600}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   600 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.987 ppm2      3.487 CV     1
 ASSI { 1581}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HB3 ))
      2.300     0.700     0.700 peak  1581 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.207 ppm2      2.370 CV     1
 ASSI {  726}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   726 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.801 ppm2      4.237 CV     1
 ASSI { 1420}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak  1420 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      0.818 ppm2      3.945 CV     1
 ASSI {  923}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD2 ))
      2.700     0.900     0.900 peak   923 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.391 ppm2      3.389 CV     1
 ASSI { 1441}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HG12))
      2.500     0.800     0.800 peak  1441 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.916 ppm2      1.224 CV     1
 ASSI { 1647}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HD3 ))
      2.500     0.800     0.800 peak  1647 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.001 ppm2      3.252 CV     1
 ASSI { 2041}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak  2041 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      3.920 ppm2      4.522 CV     1
 ASSI {  892}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.600     0.800     0.800 peak   892 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.829 ppm2      2.440 CV     1
 ASSI { 1010}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1010 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      1.989 ppm2      4.177 CV     1
 ASSI { 1355}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HB  ))
      2.400     0.700     0.700 peak  1355 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      0.673 ppm2      1.544 CV     1
 ASSI { 1583}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HG3 ))
      2.400     0.700     0.700 peak  1583 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.194 ppm2      2.761 CV     1
 ASSI { 1545}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HB2 ))
      2.900     2.900     3.100 peak  1545 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.197 ppm2      2.482 CV     1
 ASSI { 1862}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HE3 ))
      2.500     0.800     0.800 peak  1862 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.097 ppm2      3.056 CV     1
 OR { 1862}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HE2 ))
 ASSI { 1110}
   (( segid "    " and resid 68   and name HH2 ))
   (( segid "    " and resid 68   and name HZ2 ))
      2.500     0.800     0.800 peak  1110 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      7.256 ppm2      7.527 CV     1
 ASSI { 1442}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB  ))
      2.700     0.900     0.900 peak  1442 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.908 ppm2      1.632 CV     1
 ASSI { 1812}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HA  ))
      2.400     0.700     0.700 peak  1812 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      0.780 ppm2      3.708 CV     1
 ASSI { 2141}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HB3 ))
      2.300     0.700     0.700 peak  2141 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      2.607 ppm2      2.736 CV     1
 ASSI { 1201}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     2.700     3.300 peak  1201 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.384 ppm2      5.344 CV     1
 ASSI {  132}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HB  ))
      2.500     0.800     0.800 peak   132 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.210 ppm2      1.457 CV     1
 ASSI {  516}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.900     0.900 peak   516 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      0.847 ppm2      4.607 CV     1
 OR {  516}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1790}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HA  ))
      2.600     0.900     0.900 peak  1790 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      0.955 ppm2      4.311 CV     1
 ASSI { 1095}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.500     0.800     0.800 peak  1095 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.962 ppm2      4.877 CV     1
 ASSI { 1269}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
      2.300     0.700     0.700 peak  1269 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      2.326 ppm2      3.494 CV     1
 ASSI {  432}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   432 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.200 ppm2      5.059 CV     1
 ASSI {  231}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.400     0.700     0.700 peak   231 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      0.820 ppm2      1.440 CV     1
 ASSI {  299}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.500     0.800     0.800 peak   299 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.531 ppm2      3.460 CV     1
 ASSI { 1070}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 66   and name HA  ))
      2.500     0.800     0.800 peak  1070 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      1.860 ppm2      4.264 CV     1
 ASSI { 1045}
   (( segid "    " and resid 64   and name HE3 ))
   (( segid "    " and resid 64   and name HA  ))
      2.000     2.000     4.000 peak  1045 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      3.034 ppm2      4.177 CV     1
 OR { 1045}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  415}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak   415 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      3.227 ppm2      5.147 CV     1
 ASSI { 1639}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HD3 ))
      2.500     0.800     0.800 peak  1639 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.775 ppm2      3.252 CV     1
 ASSI { 1958}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     3.000     3.000 peak  1958 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.630 ppm2      3.955 CV     1
 ASSI {   82}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak    82 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.991 ppm2      3.896 CV     1
 ASSI { 1148}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1148 spectrum    2 weight  0.10000E+01 volume  0.33610E-02 ppm1      4.378 ppm2      4.556 CV     1
 ASSI { 1397}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HB3 ))
      2.400     0.700     0.700 peak  1397 spectrum    2 weight  0.10000E+01 volume  0.33610E-02 ppm1      2.630 ppm2      2.731 CV     1
 ASSI {  768}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   768 spectrum    2 weight  0.10000E+01 volume  0.33610E-02 ppm1      1.284 ppm2      4.826 CV     1
 ASSI {  359}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.600     0.900     0.900 peak   359 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.864 ppm2      1.282 CV     1
 ASSI { 1318}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak  1318 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.356 ppm2      2.902 CV     1
 ASSI { 1133}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB3 ))
      2.500     0.800     0.800 peak  1133 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.708 ppm2      2.413 CV     1
 OR { 1133}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {   39}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB  ))
      2.500     0.800     0.800 peak    39 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.795 ppm2      1.782 CV     1
 ASSI {  322}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   322 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.961 ppm2      4.621 CV     1
 ASSI {  820}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   820 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      1.510 ppm2      3.908 CV     1
 ASSI {   52}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak    52 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.129 ppm2      3.980 CV     1
 ASSI { 1831}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HB  ))
      2.400     0.700     0.700 peak  1831 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      0.965 ppm2      2.153 CV     1
 ASSI { 1312}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak  1312 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.230 ppm2      2.903 CV     1
 ASSI { 1079}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      2.200     0.600     0.600 peak  1079 spectrum    2 weight  0.10000E+01 volume  0.33610E-02 ppm1      2.736 ppm2      3.229 CV     1
 ASSI { 1905}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG3 ))
      2.500     0.800     0.800 peak  1905 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.070 ppm2      2.519 CV     1
 ASSI {  237}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HB  ))
      2.700     0.900     0.900 peak   237 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.162 ppm2      1.440 CV     1
 ASSI { 1160}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1160 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.714 ppm2      4.599 CV     1
 ASSI {  781}
   (  segid "    " and resid 49   and name HE% )
   (  segid "    " and resid 49   and name HD% )
      2.500     0.800     0.800 peak   781 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      6.791 ppm2      6.910 CV     1
 ASSI {  386}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   386 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.156 ppm2      5.489 CV     1
 ASSI {  644}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   644 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      0.873 ppm2      3.273 CV     1
 ASSI { 1333}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HB3 ))
      3.000     1.100     1.100 peak  1333 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1     -0.218 ppm2      1.024 CV     1
 ASSI { 1092}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1092 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.841 ppm2      4.875 CV     1
 ASSI { 1864}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 101  and name HA  ))
      2.600     0.900     0.900 peak  1864 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.583 ppm2      4.038 CV     1
 ASSI {  360}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.400     0.700     0.700 peak   360 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.855 ppm2      1.880 CV     1
 ASSI {   90}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.600     0.900     0.900 peak    90 spectrum    2 weight  0.10000E+01 volume  0.29691E-02 ppm1      1.494 ppm2      1.991 CV     1
 ASSI { 1356}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 81   and name HG2%)
      2.500     0.800     0.800 peak  1356 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      0.673 ppm2      0.829 CV     1
 ASSI { 1163}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.700     0.700 peak  1163 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.835 ppm2      4.599 CV     1
 ASSI {  436}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   436 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      2.655 ppm2      5.062 CV     1
 ASSI { 1151}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak  1151 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      1.007 ppm2      4.556 CV     1
 ASSI { 1732}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 113  and name HB3 ))
      2.800     0.900     0.900 peak  1732 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.949 ppm2      2.750 CV     1
 ASSI {  876}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   876 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.086 ppm2      4.140 CV     1
 ASSI {  792}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak   792 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.693 ppm2      3.668 CV     1
 ASSI { 1588}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HG3 ))
      2.800     0.900     0.900 peak  1588 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.368 ppm2      2.763 CV     1
 ASSI {  559}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   559 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      3.483 ppm2      4.880 CV     1
 ASSI {  304}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.500     0.800     0.800 peak   304 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.229 ppm2      3.644 CV     1
 OR {  304}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {  248}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   248 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1     -0.310 ppm2      3.509 CV     1
 ASSI { 1764}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak  1764 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.414 ppm2      4.079 CV     1
 ASSI { 1439}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HG13))
      2.500     0.800     0.800 peak  1439 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.909 ppm2      2.081 CV     1
 ASSI { 1915}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HG3 ))
      2.400     0.700     0.700 peak  1915 spectrum    2 weight  0.10000E+01 volume  0.33891E-02 ppm1      2.359 ppm2      2.519 CV     1
 ASSI {  192}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   192 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.665 ppm2      3.996 CV     1
 ASSI { 1324}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1324 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.031 ppm2      2.902 CV     1
 ASSI { 1622}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HD2 ))
      2.800     1.000     1.000 peak  1622 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.846 ppm2      3.183 CV     1
 ASSI {  358}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   358 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.864 ppm2      4.987 CV     1
 ASSI {  626}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HG3 ))
      2.500     0.800     0.800 peak   626 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.077 ppm2      2.459 CV     1
 ASSI {  732}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.900     0.900 peak   732 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.582 ppm2      4.237 CV     1
 ASSI { 1038}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak  1038 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.782 ppm2      4.175 CV     1
 OR { 1038}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  872}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HB3 ))
      2.600     0.800     0.800 peak   872 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.865 ppm2      2.472 CV     1
 ASSI {  289}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   289 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.902 ppm2      5.189 CV     1
 ASSI {  910}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   910 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.312 ppm2      5.372 CV     1
 ASSI { 1971}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HD2 ))
      2.400     0.700     0.700 peak  1971 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.341 ppm2      1.630 CV     1
 ASSI { 1871}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 101  and name HA  ))
      2.500     0.800     0.800 peak  1871 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.677 ppm2      4.038 CV     1
 ASSI {  159}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.300     0.700     0.700 peak   159 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      2.217 ppm2      2.347 CV     1
 ASSI { 1174}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1174 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.135 ppm2      4.749 CV     1
 ASSI { 1178}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak  1178 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.209 ppm2      4.749 CV     1
 ASSI { 1526}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HA  ))
      2.700     0.900     0.900 peak  1526 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.290 ppm2      4.124 CV     1
 ASSI {  242}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   242 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.567 ppm2      3.508 CV     1
 ASSI {  412}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   412 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.935 ppm2      5.147 CV     1
 ASSI {  195}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.500     0.800     0.800 peak   195 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.657 ppm2      3.124 CV     1
 OR {  195}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HD3 ))
 ASSI { 1350}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1350 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.539 ppm2      3.699 CV     1
 ASSI { 1552}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HA  ))
      2.400     0.700     0.700 peak  1552 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.880 ppm2      3.977 CV     1
 ASSI { 1618}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.700     0.900     0.900 peak  1618 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.831 ppm2      4.483 CV     1
 ASSI {  161}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   161 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.338 ppm2      3.561 CV     1
 ASSI {  428}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   428 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.068 ppm2      5.062 CV     1
 ASSI { 1483}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HB  ))
      2.900     1.000     1.000 peak  1483 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.719 ppm2      2.132 CV     1
 ASSI {  352}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   352 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.887 ppm2      4.986 CV     1
 ASSI { 1977}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HD2 ))
      2.400     0.700     0.700 peak  1977 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.781 ppm2      1.630 CV     1
 ASSI { 1630}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HD2 ))
      2.600     2.600     3.400 peak  1630 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.881 ppm2      3.183 CV     1
 ASSI {  557}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      2.300     0.700     0.700 peak   557 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      3.306 ppm2      3.487 CV     1
 ASSI {  238}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 12   and name HG2%)
      2.500     0.800     0.800 peak   238 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.154 ppm2      0.822 CV     1
 ASSI { 1516}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  1516 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.093 ppm2      4.124 CV     1
 ASSI { 1485}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HG13))
      2.500     0.800     0.800 peak  1485 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      0.717 ppm2      1.687 CV     1
 ASSI {  738}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak   738 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      3.198 ppm2      4.238 CV     1
 OR {  738}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  835}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      2.700     2.700     3.300 peak   835 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.222 ppm2      3.903 CV     1
 ASSI {   33}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HB  ))
      2.600     0.800     0.800 peak    33 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.241 ppm2      1.782 CV     1
 ASSI { 1426}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.230 ppm2      3.941 CV     1
 ASSI {  986}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 89   and name HG2 ))
      2.400     0.700     0.700 peak   986 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.778 ppm2      2.305 CV     1
 ASSI { 1730}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     0.800     0.800 peak  1730 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.953 ppm2      3.839 CV     1
 ASSI { 1314}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.500     0.800     0.800 peak  1314 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.238 ppm2      1.023 CV     1
 ASSI { 1229}
   (( segid "    " and resid 75   and name HE3 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.600     2.600     3.400 peak  1229 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      7.029 ppm2      7.401 CV     1
 ASSI {  670}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak   670 spectrum    2 weight  0.10000E+01 volume  0.33751E-02 ppm1      1.550 ppm2      4.202 CV     1
 ASSI { 1705}
   (( segid "    " and resid 95   and name HG3 ))
   (( segid "    " and resid 95   and name HA  ))
      2.700     0.900     0.900 peak  1705 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.311 ppm2      4.183 CV     1
 ASSI { 1634}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.600     0.900     0.900 peak  1634 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.775 ppm2      4.483 CV     1
 ASSI {  762}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 47   and name HD% )
      2.500     0.800     0.800 peak   762 spectrum    2 weight  0.10000E+01 volume  0.34172E-02 ppm1      7.083 ppm2      7.276 CV     1
 ASSI { 1531}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  1531 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.422 ppm2      4.124 CV     1
 ASSI { 1422}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HG12))
      2.700     0.900     0.900 peak  1422 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.819 ppm2      1.236 CV     1
 ASSI { 1250}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1250 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.845 ppm2      5.243 CV     1
 ASSI { 1938}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  1938 spectrum    2 weight  0.10000E+01 volume  0.34172E-02 ppm1      1.472 ppm2      4.196 CV     1
 ASSI { 1382}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HA  ))
      2.500     0.800     0.800 peak  1382 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      3.116 ppm2      3.704 CV     1
 ASSI {  556}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak   556 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      3.317 ppm2      4.880 CV     1
 ASSI { 1495}
   (( segid "    " and resid 88   and name HG13))
   (( segid "    " and resid 88   and name HB  ))
      2.500     0.800     0.800 peak  1495 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.677 ppm2      2.150 CV     1
 ASSI { 1296}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak  1296 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.254 ppm2      4.800 CV     1
 ASSI {  452}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   452 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      3.698 ppm2      4.842 CV     1
 ASSI {   80}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HE3 ))
      2.600     0.900     0.900 peak    80 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.900 ppm2      2.858 CV     1
 OR {   80}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HE2 ))
 ASSI { 1058}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak  1058 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      3.043 ppm2      4.202 CV     1
 ASSI { 1769}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1769 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.464 ppm2      4.079 CV     1
 ASSI {  413}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.300     0.600     0.600 peak   413 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.935 ppm2      3.227 CV     1
 ASSI {  366}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak   366 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.189 ppm2      1.883 CV     1
 ASSI { 1700}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HA  ))
      2.500     0.800     0.800 peak  1700 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.265 ppm2      4.183 CV     1
 ASSI {   23}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HG12))
      2.400     0.700     0.700 peak    23 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.721 ppm2      1.249 CV     1
 ASSI {   42}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG12))
      2.500     0.800     0.800 peak    42 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.795 ppm2      1.241 CV     1
 ASSI {  151}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   151 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.129 ppm2      3.558 CV     1
 ASSI {  236}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   236 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.162 ppm2      3.509 CV     1
 ASSI { 1562}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      2.400     0.700     0.700 peak  1562 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      3.054 ppm2      4.624 CV     1
 ASSI { 1125}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HD3 ))
      2.700     0.900     0.900 peak  1125 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.428 ppm2      3.183 CV     1
 OR { 1125}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI { 1595}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HA  ))
      2.700     0.900     0.900 peak  1595 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.761 ppm2      3.918 CV     1
 ASSI {  913}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak   913 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.519 ppm2      5.372 CV     1
 ASSI {  116}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   116 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.489 ppm2      3.394 CV     1
 ASSI {  890}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   890 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.823 ppm2      4.585 CV     1
 ASSI {   26}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak    26 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.480 ppm2      3.479 CV     1
 ASSI { 1565}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HA  ))
      2.700     0.900     0.900 peak  1565 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      3.352 ppm2      4.624 CV     1
 ASSI {  251}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG12))
      2.500     0.800     0.800 peak   251 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1     -0.310 ppm2      0.162 CV     1
 ASSI { 1917}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak  1917 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.519 ppm2      4.085 CV     1
 ASSI { 1494}
   (( segid "    " and resid 88   and name HG13))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.000     1.000 peak  1494 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.691 ppm2      3.856 CV     1
 ASSI { 1225}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak  1225 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      3.190 ppm2      5.073 CV     1
 ASSI { 2084}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
      2.600     0.800     0.800 peak  2084 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.888 ppm2      4.612 CV     1
 ASSI { 1132}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.300     0.700     0.700 peak  1132 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.706 ppm2      2.056 CV     1
 ASSI {  258}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   258 spectrum    2 weight  0.10000E+01 volume  0.34312E-02 ppm1      1.452 ppm2      4.133 CV     1
 ASSI {  512}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   512 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.523 ppm2      4.607 CV     1
 ASSI {  898}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   898 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.441 ppm2      4.581 CV     1
 ASSI {  146}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   146 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.842 ppm2      3.561 CV     1
 ASSI {  455}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   455 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      3.757 ppm2      4.842 CV     1
 ASSI {  397}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB3 ))
      2.500     0.800     0.800 peak   397 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.047 ppm2      2.163 CV     1
 ASSI { 1364}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HA2 ))
      2.200     0.600     0.600 peak  1364 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.216 ppm2      3.866 CV     1
 ASSI { 1359}
   (  segid "    " and resid 81   and name HG2%)
   (( segid "    " and resid 81   and name HB  ))
      2.500     0.800     0.800 peak  1359 spectrum    2 weight  0.10000E+01 volume  0.33052E-02 ppm1      0.834 ppm2      1.551 CV     1
 ASSI { 1824}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 100  and name HA  ))
      2.800     1.000     1.000 peak  1824 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.600 ppm2      3.704 CV     1
 ASSI { 1320}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HB3 ))
      2.400     0.700     0.700 peak  1320 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.356 ppm2      1.031 CV     1
 ASSI { 1912}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HA  ))
      2.700     0.900     0.900 peak  1912 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      2.359 ppm2      4.085 CV     1
 ASSI { 1819}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 100  and name HB  ))
      2.500     0.800     0.800 peak  1819 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.420 ppm2      2.156 CV     1
 ASSI {  224}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   224 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.440 ppm2      3.509 CV     1
 ASSI {  687}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   687 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      3.559 ppm2      4.456 CV     1
 ASSI { 1850}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HA  ))
      2.400     0.700     0.700 peak  1850 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.933 ppm2      4.039 CV     1
 ASSI {  911}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB3 ))
      2.300     0.700     0.700 peak   911 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.313 ppm2      2.527 CV     1
 ASSI { 1626}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  1626 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.881 ppm2      4.483 CV     1
 ASSI {  252}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG13))
      2.500     0.800     0.800 peak   252 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1     -0.317 ppm2      1.563 CV     1
 ASSI {  268}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   268 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.885 ppm2      4.138 CV     1
 OR {  268}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  508}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   508 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.335 ppm2      4.607 CV     1
 ASSI { 1378}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.500     0.800     0.800 peak  1378 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.669 ppm2      3.704 CV     1
 ASSI {   14}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak    14 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.775 ppm2      3.480 CV     1
 ASSI { 1642}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.000     1.000 peak  1642 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.001 ppm2      4.483 CV     1
 ASSI {  962}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak   962 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.819 ppm2      3.401 CV     1
 ASSI {  676}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak   676 spectrum    2 weight  0.10000E+01 volume  0.34452E-02 ppm1      1.662 ppm2      4.291 CV     1
 ASSI { 1548}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1548 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.459 ppm2      3.977 CV     1
 ASSI {  879}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HG  ))
      2.500     0.800     0.800 peak   879 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.086 ppm2      1.663 CV     1
 ASSI { 1833}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HG12))
      2.900     1.000     1.000 peak  1833 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.960 ppm2      1.440 CV     1
 ASSI {  286}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak   286 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.909 ppm2      5.189 CV     1
 ASSI { 1452}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  1452 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.125 ppm2      3.369 CV     1
 ASSI { 1970}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HA  ))
      2.700     0.900     0.900 peak  1970 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.341 ppm2      3.955 CV     1
 ASSI { 1102}
   (( segid "    " and resid 68   and name HZ3 ))
   (( segid "    " and resid 68   and name HE3 ))
      2.400     0.700     0.700 peak  1102 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      7.070 ppm2      7.668 CV     1
 ASSI {  327}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   327 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.969 ppm2      1.977 CV     1
 ASSI {  776}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   776 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.803 ppm2      5.834 CV     1
 ASSI { 1994}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.900     0.900 peak  1994 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.652 ppm2      4.639 CV     1
 ASSI { 1585}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak  1585 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.364 ppm2      3.918 CV     1
 ASSI { 1944}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 105  and name HA  ))
      2.500     0.800     0.800 peak  1944 spectrum    2 weight  0.10000E+01 volume  0.34452E-02 ppm1      1.500 ppm2      4.119 CV     1
 ASSI { 1999}
   (  segid "    " and resid 107  and name HE% )
   (  segid "    " and resid 107  and name HD% )
      2.500     0.800     0.800 peak  1999 spectrum    2 weight  0.10000E+01 volume  0.34452E-02 ppm1      6.789 ppm2      7.320 CV     1
 ASSI {  526}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   526 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      3.412 ppm2      4.687 CV     1
 ASSI { 1756}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HG2 ))
      2.500     0.800     0.800 peak  1756 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.095 ppm2      2.414 CV     1
 ASSI {  538}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   538 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.878 ppm2      4.792 CV     1
 ASSI {  801}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HB  ))
      2.500     0.800     0.800 peak   801 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.811 ppm2      1.695 CV     1
 ASSI { 1121}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak  1121 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.405 ppm2      4.270 CV     1
 ASSI {  779}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.500     0.800     0.800 peak   779 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      3.060 ppm2      5.834 CV     1
 ASSI { 1061}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  1061 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.159 ppm2      4.205 CV     1
 ASSI {  633}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak   633 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.450 ppm2      3.955 CV     1
 ASSI {  331}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 17   and name HB  ))
      2.400     0.800     0.800 peak   331 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.134 ppm2      1.977 CV     1
 ASSI { 1292}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak  1292 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.188 ppm2      4.800 CV     1
 ASSI { 1907}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HA  ))
      2.700     0.900     0.900 peak  1907 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.239 ppm2      4.085 CV     1
 ASSI {  878}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HB3 ))
      2.900     1.100     1.100 peak   878 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.086 ppm2      2.472 CV     1
 ASSI {  233}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG13))
      2.900     1.000     1.000 peak   233 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.820 ppm2      1.562 CV     1
 ASSI { 1825}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 100  and name HB  ))
      2.500     0.800     0.800 peak  1825 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.617 ppm2      2.154 CV     1
 ASSI {  156}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   156 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.206 ppm2      3.561 CV     1
 ASSI { 1438}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak  1438 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.904 ppm2      3.945 CV     1
 ASSI {  702}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   702 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.470 ppm2      4.919 CV     1
 ASSI {  121}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   121 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.272 ppm2      3.394 CV     1
 ASSI { 1563}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HB3 ))
      2.300     0.600     0.600 peak  1563 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.049 ppm2      3.355 CV     1
 ASSI {  249}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB  ))
      2.500     0.800     0.800 peak   249 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1     -0.316 ppm2      1.441 CV     1
 ASSI { 1928}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 103  and name HA  ))
      2.500     0.800     0.800 peak  1928 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.919 ppm2      4.276 CV     1
 ASSI {  777}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.300     0.700     0.700 peak   777 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.803 ppm2      3.060 CV     1
 ASSI { 1063}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 65   and name HD% )
      2.400     0.700     0.700 peak  1063 spectrum    2 weight  0.10000E+01 volume  0.34592E-02 ppm1      6.660 ppm2      6.968 CV     1
 ASSI {  853}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
      2.200     0.600     0.600 peak   853 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.512 ppm2      2.472 CV     1
 ASSI {  894}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak   894 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.265 ppm2      4.583 CV     1
 ASSI {   20}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak    20 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.791 ppm2      3.480 CV     1
 ASSI { 1759}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak  1759 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.153 ppm2      4.079 CV     1
 ASSI { 1813}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HB  ))
      2.800     1.000     1.000 peak  1813 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.781 ppm2      2.172 CV     1
 ASSI {  488}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     2.700     3.300 peak   488 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.421 ppm2      4.115 CV     1
 ASSI {  988}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   988 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.991 ppm2      4.551 CV     1
 ASSI {  992}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
      2.400     0.700     0.700 peak   992 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.302 ppm2      4.549 CV     1
 ASSI { 2025}
   (( segid "    " and resid 108  and name HD3 ))
   (( segid "    " and resid 108  and name HE3 ))
      2.500     0.800     0.800 peak  2025 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      1.725 ppm2      2.989 CV     1
 OR { 2025}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HE2 ))
 OR { 2025}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HE3 ))
 OR { 2025}
   (( segid "    " and resid 108  and name HD3 ))
   (( segid "    " and resid 108  and name HE2 ))
 ASSI { 1818}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak  1818 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.420 ppm2      3.704 CV     1
 ASSI { 1567}
   (  segid "    " and resid 91   and name HE% )
   (  segid "    " and resid 91   and name HD% )
      2.500     0.800     0.800 peak  1567 spectrum    2 weight  0.10000E+01 volume  0.34733E-02 ppm1      6.752 ppm2      6.910 CV     1
 ASSI {  618}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   618 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.010 ppm2      3.955 CV     1
 ASSI {  825}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   825 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.678 ppm2      3.905 CV     1
 ASSI { 1964}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 106  and name HA  ))
      2.600     2.600     3.400 peak  1964 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.695 ppm2      3.955 CV     1
 ASSI {  470}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.349 ppm2      4.114 CV     1
 ASSI { 1271}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  1271 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      3.493 ppm2      4.505 CV     1
 ASSI {  873}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HG  ))
      2.400     0.700     0.700 peak   873 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.866 ppm2      1.656 CV     1
 ASSI {  967}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak   967 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.937 ppm2      1.854 CV     1
 ASSI { 1590}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak  1590 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.555 ppm2      3.918 CV     1
 ASSI { 1830}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak  1830 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.966 ppm2      3.711 CV     1
 ASSI {  838}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG12))
      2.300     0.600     0.600 peak   838 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      0.225 ppm2      0.925 CV     1
 ASSI {  929}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   929 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.380 ppm2      4.300 CV     1
 ASSI {  756}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.500     0.800     0.800 peak   756 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.826 ppm2      4.986 CV     1
 ASSI {  239}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HG13))
      2.300     0.600     0.600 peak   239 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.156 ppm2      1.565 CV     1
 ASSI {  808}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   808 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.902 ppm2      5.513 CV     1
 OR {  808}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {   76}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak    76 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.900 ppm2      3.896 CV     1
 ASSI {  326}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   326 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.964 ppm2      4.619 CV     1
 ASSI { 1116}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1116 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.054 ppm2      4.268 CV     1
 ASSI { 1866}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 101  and name HB3 ))
      2.400     0.700     0.700 peak  1866 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.583 ppm2      2.111 CV     1
 ASSI { 1720}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak  1720 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.014 ppm2      2.311 CV     1
 OR { 1720}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  684}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   684 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.814 ppm2      4.456 CV     1
 ASSI { 1399}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1399 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      2.731 ppm2      4.308 CV     1
 ASSI { 1482}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HA  ))
      2.400     0.700     0.700 peak  1482 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.717 ppm2      3.853 CV     1
 ASSI { 1161}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB3 ))
      2.100     0.600     0.600 peak  1161 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      2.714 ppm2      2.835 CV     1
 ASSI { 2930}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 20   and name HE% )
      2.500     0.800     0.800 peak  2930 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.817 ppm2      6.326 CV     1
 ASSI { 3400}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
      2.700     2.700     3.300 peak  3400 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      0.554 ppm2      3.998 CV     1
 ASSI { 2578}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 71   and name HD% )
      2.800     2.800     3.200 peak  2578 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.745 ppm2      7.292 CV     1
 ASSI { 3070}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     2.600     3.400 peak  3070 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.105 ppm2      4.609 CV     1
 ASSI { 3045}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      3.100     3.100     2.900 peak  3045 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.738 ppm2      4.985 CV     1
 ASSI { 3188}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      2.700     0.900     0.900 peak  3188 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.327 ppm2      1.396 CV     1
 ASSI { 2825}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 47   and name HD% )
      2.800     2.800     3.200 peak  2825 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      3.487 ppm2      7.288 CV     1
 ASSI { 3162}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 100  and name HB  ))
      2.800     2.800     3.200 peak  3162 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.530 ppm2      2.162 CV     1
 ASSI { 2279}
   (  segid "    " and resid 48   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.700     2.700     3.300 peak  2279 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.283 ppm2      5.834 CV     1
 ASSI { 3023}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      2.900     2.900     3.100 peak  3023 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.328 ppm2      4.985 CV     1
 ASSI { 3128}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak  3128 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.747 ppm2      3.167 CV     1
 ASSI { 2545}
   (( segid "    " and resid 106  and name HG2 ))
   (  segid "    " and resid 107  and name HE% )
      2.900     2.900     3.100 peak  2545 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.788 ppm2      6.787 CV     1
 ASSI { 2939}
   (  segid "    " and resid 66   and name HB% )
   (  segid "    " and resid 65   and name HE% )
      2.700     0.900     0.900 peak  2939 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.854 ppm2      6.660 CV     1
 ASSI { 3151}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 113  and name HB2 ))
      2.900     1.000     1.000 peak  3151 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.604 ppm2      2.609 CV     1
 ASSI { 3301}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 101  and name HE2 ))
      2.500     2.500     3.500 peak  3301 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.415 ppm2      3.032 CV     1
 OR { 3301}
   (  segid "    " and resid 114  and name HB% )
   (( segid "    " and resid 101  and name HE3 ))
 ASSI { 2886}
   (  segid "    " and resid 53   and name HD1%)
   (  segid "    " and resid 71   and name HD% )
      2.600     0.900     0.900 peak  2886 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.866 ppm2      7.276 CV     1
 ASSI { 2410}
   (( segid "    " and resid 101  and name HE2 ))
   (( segid "    " and resid 101  and name HA  ))
      2.900     2.900     3.100 peak  2410 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      3.056 ppm2      4.039 CV     1
 OR { 2410}
   (( segid "    " and resid 101  and name HE3 ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI { 2771}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 100  and name HD1%)
      2.600     2.600     3.400 peak  2771 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.327 ppm2      0.783 CV     1
 ASSI { 2430}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 65   and name HB3 ))
      2.900     1.100     1.100 peak  2430 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.479 ppm2      3.180 CV     1
 ASSI { 3335}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 106  and name HE3 ))
      2.500     0.800     0.800 peak  3335 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.695 ppm2      2.845 CV     1
 OR { 3335}
   (( segid "    " and resid 106  and name HD3 ))
   (( segid "    " and resid 106  and name HE2 ))
 ASSI { 2724}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak  2724 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.879 ppm2      3.705 CV     1
 ASSI { 2660}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 99   and name HA  ))
      2.600     0.900     0.900 peak  2660 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.876 ppm2      4.311 CV     1
 ASSI { 2836}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 47   and name HD% )
      3.000     1.100     1.100 peak  2836 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.969 ppm2      7.275 CV     1
 ASSI { 3198}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  3198 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.743 ppm2      1.857 CV     1
 ASSI { 2331}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.500     0.800     0.800 peak  2331 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.179 ppm2      4.875 CV     1
 OR { 2331}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 3217}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      2.500     0.800     0.800 peak  3217 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.326 ppm2      0.880 CV     1
 ASSI { 2353}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 78   and name HA2 ))
      3.300     3.300     2.700 peak  2353 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1     -0.315 ppm2      4.274 CV     1
 ASSI { 1962}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HE3 ))
      2.500     0.800     0.800 peak  1962 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.630 ppm2      2.845 CV     1
 OR { 1962}
   (( segid "    " and resid 106  and name HD2 ))
   (( segid "    " and resid 106  and name HE2 ))
 ASSI {  703}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
      2.600     0.800     0.800 peak   703 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      1.470 ppm2      2.095 CV     1
 OR {  703}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1015}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE3 ))
      2.500     0.800     0.800 peak  1015 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.990 ppm2      3.038 CV     1
 OR { 1015}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1040}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HB3 ))
      2.500     0.800     0.800 peak  1040 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.783 ppm2      2.035 CV     1
 OR { 1040}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI { 1043}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HE2 ))
      2.500     0.800     0.800 peak  1043 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      1.782 ppm2      3.038 CV     1
 OR { 1043}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE3 ))
 OR { 1043}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1043}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HE3 ))
 ASSI { 1022}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HE3 ))
      2.700     0.900     0.900 peak  1022 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.035 ppm2      3.038 CV     1
 OR { 1022}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1546}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.500     0.800     0.800 peak  1546 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.193 ppm2      2.890 CV     1
 OR { 1546}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HB3 ))
 ASSI {  492}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak   492 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.426 ppm2      2.951 CV     1
 ASSI { 1876}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 101  and name HE3 ))
      2.700     0.900     0.900 peak  1876 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.674 ppm2      3.056 CV     1
 OR { 1876}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 101  and name HE2 ))
 ASSI { 1782}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
      2.500     0.800     0.800 peak  1782 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.015 ppm2      4.311 CV     1
 OR { 1782}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI {  928}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HD3 ))
      2.500     0.800     0.800 peak   928 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.058 ppm2      3.897 CV     1
 OR {  928}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HD3 ))
 ASSI {  303}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HA  ))
      2.500     2.500     3.500 peak   303 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.235 ppm2      3.460 CV     1
 ASSI {  927}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HD2 ))
      2.500     0.800     0.800 peak   927 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.054 ppm2      3.391 CV     1
 OR {  927}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HD2 ))
 ASSI { 1980}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HE2 ))
      2.500     0.800     0.800 peak  1980 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.781 ppm2      2.845 CV     1
 OR { 1980}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HE3 ))
 ASSI { 1972}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HB3 ))
      2.400     0.700     0.700 peak  1972 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.346 ppm2      1.735 CV     1
 ASSI { 2615}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HZ  ))
      2.900     2.900     3.100 peak  2615 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      4.556 ppm2      7.394 CV     1
 ASSI { 2316}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     2.500     3.500 peak  2316 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      2.586 ppm2      5.516 CV     1
 ASSI { 2913}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 65   and name HD% )
      2.400     0.700     0.700 peak  2913 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.554 ppm2      6.968 CV     1
 ASSI { 2285}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.200     1.200 peak  2285 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.711 ppm2      4.876 CV     1
 OR { 2285}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2719}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 29   and name HB3 ))
      2.000     2.000     4.000 peak  2719 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.085 ppm2      3.976 CV     1
 ASSI { 2426}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      2.000     2.000     4.000 peak  2426 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.083 ppm2      3.421 CV     1
 ASSI { 2668}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 91   and name HA  ))
      2.700     2.700     3.300 peak  2668 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      1.763 ppm2      4.625 CV     1
 ASSI { 2989}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.600     2.600     3.400 peak  2989 spectrum    2 weight  0.10000E+01 volume  0.30389E-02 ppm1      3.185 ppm2      7.396 CV     1
 ASSI { 3049}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  3049 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      2.575 ppm2      5.458 CV     1
 OR { 3049}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2736}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      2.500     0.800     0.800 peak  2736 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      1.911 ppm2      4.120 CV     1
 ASSI {   98}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HE2 ))
      2.600     0.900     0.900 peak    98 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      1.178 ppm2      2.858 CV     1
 OR {   98}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HE3 ))
 ASSI { 1117}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
      2.400     0.700     0.700 peak  1117 spectrum    2 weight  0.10000E+01 volume  0.33192E-02 ppm1      2.056 ppm2      2.404 CV     1
 ASSI { 1182}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1182 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      2.563 ppm2      4.749 CV     1
 OR { 1182}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1180}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HG2 ))
      2.700     0.900     0.900 peak  1180 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.209 ppm2      2.563 CV     1
 ASSI { 1974}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HE3 ))
      2.800     1.000     1.000 peak  1974 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      1.341 ppm2      2.845 CV     1
 OR { 1974}
   (( segid "    " and resid 106  and name HG3 ))
   (( segid "    " and resid 106  and name HE2 ))
 ASSI { 2655}
   (  segid "    " and resid 37   and name HG1%)
   (( segid "    " and resid 29   and name HA  ))
      2.000     2.000     4.000 peak  2655 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.958 ppm2      4.687 CV     1
 ASSI { 2666}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak  2666 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.061 ppm2      5.369 CV     1
 OR { 2666}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 3191}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak  3191 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      0.561 ppm2      1.787 CV     1
 ASSI {  183}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.600     0.800     0.800 peak   183 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      1.846 ppm2      3.133 CV     1
 OR {  183}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HD3 ))
 ASSI {  198}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   198 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      3.122 ppm2      3.996 CV     1
 OR {  198}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  189}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD3 ))
      2.600     0.800     0.800 peak   189 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      1.535 ppm2      3.133 CV     1
 OR {  189}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 2978}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.700     2.700     3.300 peak  2978 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      2.898 ppm2      7.394 CV     1
 ASSI { 3414}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 71   and name HD% )
      2.900     2.900     3.100 peak  3414 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.699 ppm2      7.294 CV     1
 ASSI { 2440}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 35   and name HB3 ))
      2.800     1.000     1.000 peak  2440 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.717 ppm2      2.654 CV     1
 ASSI { 2292}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  2292 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.267 ppm2      4.343 CV     1
 ASSI { 2965}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.700     2.700     3.300 peak  2965 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.132 ppm2      7.394 CV     1
 ASSI { 3404}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 49   and name HE% )
      2.600     2.600     3.400 peak  3404 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.020 ppm2      6.790 CV     1
 ASSI { 3395}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  3395 spectrum    2 weight  0.10000E+01 volume  0.33333E-02 ppm1      2.306 ppm2      3.966 CV     1
 ASSI { 2699}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      2.700     2.700     3.300 peak  2699 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      2.021 ppm2      2.655 CV     1
 ASSI { 3411}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 71   and name HE% )
      2.600     0.900     0.900 peak  3411 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      0.746 ppm2      7.354 CV     1
 ASSI { 2461}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      2.300     0.700     0.700 peak  2461 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      2.308 ppm2      2.654 CV     1
 ASSI { 2664}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.700     2.700     3.300 peak  2664 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.510 ppm2      4.842 CV     1
 ASSI { 3416}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak  3416 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      1.138 ppm2      4.985 CV     1
 ASSI { 3413}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  3413 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.627 ppm2      5.344 CV     1
 OR { 3413}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2737}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     2.500     3.500 peak  2737 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.902 ppm2      3.834 CV     1
 ASSI { 2582}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.700     2.700     3.300 peak  2582 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      2.213 ppm2      7.394 CV     1
 ASSI { 3122}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.000     2.000     4.000 peak  3122 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.551 ppm2      3.401 CV     1
 ASSI { 3233}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 5    and name HG2%)
      2.600     0.900     0.900 peak  3233 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.271 ppm2      0.751 CV     1
 ASSI { 2799}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      2.700     2.700     3.300 peak  2799 spectrum    2 weight  0.10000E+01 volume  0.30670E-02 ppm1      2.315 ppm2      7.635 CV     1
 ASSI { 1288}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak  1288 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      1.896 ppm2      4.800 CV     1
 OR { 1288}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  578}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   578 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.654 ppm2      3.965 CV     1
 ASSI { 1738}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     2.500     3.500 peak  1738 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.751 ppm2      3.834 CV     1
 ASSI {  122}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
      2.400     0.700     0.700 peak   122 spectrum    2 weight  0.10000E+01 volume  0.32631E-02 ppm1      0.272 ppm2      1.489 CV     1
 ASSI { 2904}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 71   and name HZ  ))
      3.100     3.100     2.900 peak  2904 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1      0.269 ppm2      7.397 CV     1
 ASSI { 3104}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
      2.700     2.700     3.300 peak  3104 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.746 ppm2      4.343 CV     1
 ASSI { 3398}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 62   and name HG  ))
      2.500     0.800     0.800 peak  3398 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.747 ppm2      1.564 CV     1
 ASSI { 3383}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 65   and name HD% )
      2.900     1.100     1.100 peak  3383 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      0.747 ppm2      6.969 CV     1
 ASSI { 3290}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HG  ))
      2.500     0.800     0.800 peak  3290 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.212 ppm2      1.559 CV     1
 ASSI { 2261}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 75   and name HZ2 ))
      2.500     0.800     0.800 peak  2261 spectrum    2 weight  0.10000E+01 volume  0.30810E-02 ppm1     -0.310 ppm2      7.394 CV     1
 ASSI { 3234}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 62   and name HD2%)
      2.500     0.800     0.800 peak  3234 spectrum    2 weight  0.10000E+01 volume  0.32912E-02 ppm1      0.210 ppm2      0.746 CV     1
 ASSI { 2899}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 71   and name HZ  ))
      2.500     0.800     0.800 peak  2899 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.211 ppm2      7.394 CV     1
 ASSI { 2681}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     2.900     3.100 peak  2681 spectrum    2 weight  0.10000E+01 volume  0.31371E-02 ppm1      3.698 ppm2      4.792 CV     1
 ASSI { 2293}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  2293 spectrum    2 weight  0.10000E+01 volume  0.31652E-02 ppm1      0.211 ppm2      4.343 CV     1
 ASSI { 3103}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  3103 spectrum    2 weight  0.10000E+01 volume  0.31792E-02 ppm1      0.561 ppm2      4.343 CV     1
 ASSI { 3382}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 71   and name HZ  ))
      2.400     0.700     0.700 peak  3382 spectrum    2 weight  0.10000E+01 volume  0.32210E-02 ppm1      0.746 ppm2      7.397 CV     1
 ASSI { 3420}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
      2.200     0.600     0.600 peak  3420 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.561 ppm2      1.589 CV     1
 ASSI { 2020}
   (( segid "    " and resid 108  and name HG3 ))
   (( segid "    " and resid 108  and name HE2 ))
      2.600     0.900     0.900 peak  2020 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      1.530 ppm2      2.990 CV     1
 OR { 2020}
   (( segid "    " and resid 108  and name HG2 ))
   (( segid "    " and resid 108  and name HE3 ))
 OR { 2020}
   (( segid "    " and resid 108  and name HG3 ))
   (( segid "    " and resid 108  and name HE3 ))
 OR { 2020}
   (( segid "    " and resid 108  and name HG2 ))
   (( segid "    " and resid 108  and name HE2 ))
 ASSI { 3428}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 75   and name HZ2 ))
      2.600     0.900     0.900 peak  3428 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1     -0.480 ppm2      7.399 CV     1
 ASSI { 3440}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     2.600     3.400 peak  3440 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1      4.133 ppm2      5.190 CV     1
 ASSI { 3441}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      2.700     2.700     3.300 peak  3441 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.192 ppm2      5.148 CV     1
 ASSI { 3442}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     2.800     3.200 peak  3442 spectrum    2 weight  0.10000E+01 volume  0.30530E-02 ppm1     -0.481 ppm2      5.073 CV     1
 ASSI { 3443}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak  3443 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.825 ppm2      4.795 CV     1
 OR { 3443}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 3446}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     3.000     3.000 peak  3446 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      2.785 ppm2      4.843 CV     1
 ASSI { 3448}
   (( segid "    " and resid 108  and name HE2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  3448 spectrum    2 weight  0.10000E+01 volume  0.31231E-02 ppm1      2.993 ppm2      4.200 CV     1
 OR { 3448}
   (( segid "    " and resid 108  and name HE3 ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 3449}
   (  segid "    " and resid 105  and name HB% )
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak  3449 spectrum    2 weight  0.10000E+01 volume  0.33473E-02 ppm1      1.497 ppm2      4.091 CV     1
 ASSI { 3453}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak  3453 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.134 ppm2      4.197 CV     1
 OR { 3453}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 3454}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 103  and name HA  ))
      2.800     2.800     3.200 peak  3454 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.135 ppm2      4.277 CV     1
 OR { 3454}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 103  and name HA  ))
 ASSI { 3456}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.000     3.000     3.000 peak  3456 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      0.734 ppm2      4.203 CV     1
 ASSI { 3457}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak  3457 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      0.821 ppm2      4.135 CV     1
 ASSI { 3458}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak  3458 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.718 ppm2      3.950 CV     1
 ASSI { 3463}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.600     0.800     0.800 peak  3463 spectrum    2 weight  0.10000E+01 volume  0.31930E-02 ppm1      1.416 ppm2      3.741 CV     1
 ASSI { 3467}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak  3467 spectrum    2 weight  0.10000E+01 volume  0.32070E-02 ppm1      2.211 ppm2      3.984 CV     1
 ASSI { 3468}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HA  ))
      2.700     0.900     0.900 peak  3468 spectrum    2 weight  0.10000E+01 volume  0.32772E-02 ppm1      2.193 ppm2      3.918 CV     1
 ASSI { 3473}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 88   and name HA  ))
      2.400     0.700     0.700 peak  3473 spectrum    2 weight  0.10000E+01 volume  0.32491E-02 ppm1      3.352 ppm2      3.858 CV     1
 ASSI { 3477}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak  3477 spectrum    2 weight  0.10000E+01 volume  0.31512E-02 ppm1      0.327 ppm2      2.835 CV     1
 ASSI { 3479}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 92   and name HG3 ))
      2.400     0.700     0.700 peak  3479 spectrum    2 weight  0.10000E+01 volume  0.32351E-02 ppm1      0.967 ppm2      2.767 CV     1
 ASSI { 3485}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 90   and name HB2 ))
      2.500     0.800     0.800 peak  3485 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      0.821 ppm2      2.463 CV     1
 ASSI { 3489}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HE2 ))
      2.600     0.800     0.800 peak  3489 spectrum    2 weight  0.10000E+01 volume  0.30951E-02 ppm1      1.940 ppm2      3.056 CV     1
 OR { 3489}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HE3 ))
 ASSI { 3490}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 71   and name HE% )
      2.900     2.900     3.100 peak  3490 spectrum    2 weight  0.10000E+01 volume  0.31091E-02 ppm1      1.585 ppm2      7.351 CV     1
 ASSI { 1133}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 60   and name HB% )
      4.300     2.300     1.700 peak  1133 spectrum    3 weight  0.10000E+01 volume  0.39822E-03 ppm1      9.005 ppm2      1.580 CV     1
 ASSI { 1136}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.600     2.700     1.400 peak  1136 spectrum    3 weight  0.10000E+01 volume  0.40140E-03 ppm1      8.895 ppm2      1.476 CV     1
 ASSI { 1200}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      4.400     2.500     1.600 peak  1200 spectrum    3 weight  0.10000E+01 volume  0.40140E-03 ppm1      7.727 ppm2      1.906 CV     1
 ASSI {   78}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak    78 spectrum    3 weight  0.10000E+01 volume  0.40219E-02 ppm1      7.997 ppm2      1.870 CV     1
 ASSI { 1137}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.400     2.400     1.600 peak  1137 spectrum    3 weight  0.10000E+01 volume  0.40257E-03 ppm1      6.359 ppm2      5.043 CV     1
 ASSI {  101}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   101 spectrum    3 weight  0.10000E+01 volume  0.40257E-02 ppm1      7.729 ppm2      1.948 CV     1
 ASSI { 1139}
   (( segid "    " and resid 35   and name HE22))
   (  segid "    " and resid 32   and name HD% )
      4.000     2.000     2.000 peak  1139 spectrum    3 weight  0.10000E+01 volume  0.40339E-03 ppm1      7.041 ppm2      7.603 CV     1
 ASSI { 1138}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      4.000     2.000     2.000 peak  1138 spectrum    3 weight  0.10000E+01 volume  0.40339E-03 ppm1      9.035 ppm2      3.960 CV     1
 ASSI {  742}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   742 spectrum    3 weight  0.10000E+01 volume  0.40339E-02 ppm1      8.921 ppm2      4.955 CV     1
 ASSI {  914}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   914 spectrum    3 weight  0.10000E+01 volume  0.40538E-02 ppm1      7.235 ppm2      7.898 CV     1
 ASSI {  826}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
      3.400     1.400     1.400 peak   826 spectrum    3 weight  0.10000E+01 volume  0.40576E-02 ppm1      9.087 ppm2      1.010 CV     1
 ASSI { 1143}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      4.300     2.300     1.700 peak  1143 spectrum    3 weight  0.10000E+01 volume  0.40736E-03 ppm1      8.782 ppm2      1.386 CV     1
 ASSI {  361}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE3 ))
      4.600     2.600     1.400 peak   361 spectrum    3 weight  0.10000E+01 volume  0.40815E-03 ppm1      7.235 ppm2      3.011 CV     1
 OR {  361}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1144}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  1144 spectrum    3 weight  0.10000E+01 volume  0.40894E-03 ppm1      7.349 ppm2      7.157 CV     1
 ASSI { 1146}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HD21))
      4.300     2.300     1.700 peak  1146 spectrum    3 weight  0.10000E+01 volume  0.40935E-03 ppm1      7.993 ppm2      7.361 CV     1
 ASSI { 1148}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      5.100     3.300     0.900 peak  1148 spectrum    3 weight  0.10000E+01 volume  0.41014E-03 ppm1      7.151 ppm2      2.438 CV     1
 ASSI { 1149}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      4.500     2.500     1.500 peak  1149 spectrum    3 weight  0.10000E+01 volume  0.41055E-03 ppm1      8.138 ppm2      0.752 CV     1
 ASSI { 1151}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      4.300     2.300     1.700 peak  1151 spectrum    3 weight  0.10000E+01 volume  0.41093E-03 ppm1      6.985 ppm2      1.499 CV     1
 ASSI { 1153}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.500     2.500     1.500 peak  1153 spectrum    3 weight  0.10000E+01 volume  0.41213E-03 ppm1      6.998 ppm2      2.045 CV     1
 ASSI { 1155}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 68   and name HZ2 ))
      4.100     2.100     1.900 peak  1155 spectrum    3 weight  0.10000E+01 volume  0.41292E-03 ppm1      8.790 ppm2      7.505 CV     1
 ASSI { 1154}
   (( segid "    " and resid 97   and name HE22))
   (  segid "    " and resid 42   and name HB% )
      3.000     3.000     3.000 peak  1154 spectrum    3 weight  0.10000E+01 volume  0.41292E-03 ppm1      7.166 ppm2      1.610 CV     1
 ASSI {  314}
   (( segid "    " and resid 54   and name HE22))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     5.100     0.000 peak   314 spectrum    3 weight  0.10000E+01 volume  0.41333E-03 ppm1      7.740 ppm2      1.799 CV     1
 ASSI { 1083}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.800     0.800 peak  1083 spectrum    3 weight  0.10000E+01 volume  0.41412E-02 ppm1      7.739 ppm2      8.589 CV     1
 ASSI {  944}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.200     1.800 peak   944 spectrum    3 weight  0.10000E+01 volume  0.41453E-03 ppm1      8.430 ppm2      9.042 CV     1
 ASSI { 1161}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      4.600     2.600     1.400 peak  1161 spectrum    3 weight  0.10000E+01 volume  0.41610E-03 ppm1      9.035 ppm2      4.028 CV     1
 ASSI {  287}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      2.600     0.900     0.900 peak   287 spectrum    3 weight  0.10000E+01 volume  0.41689E-02 ppm1      8.895 ppm2      2.869 CV     1
 OR {  287}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  891}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak   891 spectrum    3 weight  0.10000E+01 volume  0.41689E-02 ppm1      9.004 ppm2      7.732 CV     1
 ASSI { 1011}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB  ))
      2.500     0.800     0.800 peak  1011 spectrum    3 weight  0.10000E+01 volume  0.41689E-02 ppm1      8.016 ppm2      2.148 CV     1
 ASSI { 1277}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak  1277 spectrum    3 weight  0.10000E+01 volume  0.54936E-03 ppm1      9.074 ppm2      9.324 CV     1
 ASSI { 1163}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.600     2.700     1.400 peak  1163 spectrum    3 weight  0.10000E+01 volume  0.41850E-03 ppm1      8.146 ppm2      2.899 CV     1
 ASSI { 1103}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.100     3.100     2.900 peak  1103 spectrum    3 weight  0.10000E+01 volume  0.41850E-02 ppm1      8.439 ppm2      1.894 CV     1
 ASSI {  417}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.800     2.900     1.200 peak   417 spectrum    3 weight  0.10000E+01 volume  0.42008E-03 ppm1      8.431 ppm2      1.361 CV     1
 ASSI { 1166}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      4.000     2.000     2.000 peak  1166 spectrum    3 weight  0.10000E+01 volume  0.42087E-03 ppm1      9.091 ppm2      0.199 CV     1
 ASSI { 1167}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.200     2.200     1.800 peak  1167 spectrum    3 weight  0.10000E+01 volume  0.42128E-03 ppm1      9.088 ppm2      3.241 CV     1
 ASSI { 1169}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.900     2.900     3.100 peak  1169 spectrum    3 weight  0.10000E+01 volume  0.42286E-03 ppm1      7.346 ppm2      4.381 CV     1
 ASSI {  148}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   148 spectrum    3 weight  0.10000E+01 volume  0.42367E-02 ppm1      7.259 ppm2      1.300 CV     1
 ASSI { 1173}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.000     2.000     2.000 peak  1173 spectrum    3 weight  0.10000E+01 volume  0.42525E-03 ppm1      8.745 ppm2      4.105 CV     1
 ASSI {  926}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak   926 spectrum    3 weight  0.10000E+01 volume  0.13506E-01 ppm1      7.648 ppm2      4.249 CV     1
 ASSI { 1178}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  1178 spectrum    3 weight  0.10000E+01 volume  0.42964E-03 ppm1      7.732 ppm2      8.277 CV     1
 ASSI {  494}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.600     0.800     0.800 peak   494 spectrum    3 weight  0.10000E+01 volume  0.42964E-02 ppm1      8.016 ppm2      2.090 CV     1
 ASSI {  622}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak   622 spectrum    3 weight  0.10000E+01 volume  0.43002E-02 ppm1      8.602 ppm2      4.186 CV     1
 ASSI {   38}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak    38 spectrum    3 weight  0.10000E+01 volume  0.43162E-03 ppm1      6.760 ppm2      1.837 CV     1
 ASSI { 1180}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HG2 ))
      4.200     2.200     1.800 peak  1180 spectrum    3 weight  0.10000E+01 volume  0.43162E-03 ppm1      8.138 ppm2      2.330 CV     1
 ASSI { 1182}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  1182 spectrum    3 weight  0.10000E+01 volume  0.43440E-03 ppm1      8.018 ppm2      3.361 CV     1
 ASSI { 1183}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      4.300     2.300     1.700 peak  1183 spectrum    3 weight  0.10000E+01 volume  0.43481E-03 ppm1      8.722 ppm2      0.932 CV     1
 ASSI { 1184}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.700     2.700     1.300 peak  1184 spectrum    3 weight  0.10000E+01 volume  0.43718E-03 ppm1      7.732 ppm2      0.662 CV     1
 ASSI { 1185}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      4.600     2.700     1.400 peak  1185 spectrum    3 weight  0.10000E+01 volume  0.43759E-03 ppm1      7.492 ppm2      3.681 CV     1
 ASSI {  964}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.200     2.200     1.800 peak   964 spectrum    3 weight  0.10000E+01 volume  0.43838E-03 ppm1      9.068 ppm2      2.307 CV     1
 ASSI { 1187}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      4.600     2.600     1.400 peak  1187 spectrum    3 weight  0.10000E+01 volume  0.43998E-03 ppm1      8.602 ppm2      0.759 CV     1
 ASSI { 1188}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      4.400     2.400     1.600 peak  1188 spectrum    3 weight  0.10000E+01 volume  0.44036E-03 ppm1      7.150 ppm2      1.398 CV     1
 ASSI {   37}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 9    and name HA  ))
      5.100     3.300     0.900 peak    37 spectrum    3 weight  0.10000E+01 volume  0.44118E-03 ppm1      7.120 ppm2      3.529 CV     1
 ASSI { 1190}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      4.000     2.000     2.000 peak  1190 spectrum    3 weight  0.10000E+01 volume  0.44156E-03 ppm1      8.016 ppm2      7.777 CV     1
 ASSI {  116}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      4.200     2.200     1.800 peak   116 spectrum    3 weight  0.10000E+01 volume  0.44235E-03 ppm1      8.921 ppm2      1.372 CV     1
 ASSI { 1192}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.900     2.900     3.100 peak  1192 spectrum    3 weight  0.10000E+01 volume  0.44317E-03 ppm1      8.722 ppm2      0.814 CV     1
 ASSI {   68}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.500     0.800     0.800 peak    68 spectrum    3 weight  0.10000E+01 volume  0.44674E-02 ppm1      8.018 ppm2      1.412 CV     1
 ASSI { 1251}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     2.300     1.700 peak  1251 spectrum    3 weight  0.10000E+01 volume  0.44714E-03 ppm1      8.876 ppm2      8.678 CV     1
 ASSI { 1915}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.200     2.200     1.800 peak  1915 spectrum    3 weight  0.10000E+01 volume  0.44793E-03 ppm1      8.379 ppm2     -0.352 CV     1
 ASSI { 1197}
   (( segid "    " and resid 15   and name HD21))
   (( segid "    " and resid 18   and name HB2 ))
      4.000     2.000     2.000 peak  1197 spectrum    3 weight  0.10000E+01 volume  0.44831E-03 ppm1      7.360 ppm2      1.241 CV     1
 ASSI {  556}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      2.400     0.800     0.800 peak   556 spectrum    3 weight  0.10000E+01 volume  0.44872E-02 ppm1      7.891 ppm2      1.983 CV     1
 ASSI { 1198}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.500     2.500     1.500 peak  1198 spectrum    3 weight  0.10000E+01 volume  0.44913E-03 ppm1      7.720 ppm2      5.348 CV     1
 ASSI {  482}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      2.300     0.700     0.700 peak   482 spectrum    3 weight  0.10000E+01 volume  0.66712E-02 ppm1      7.790 ppm2      2.098 CV     1
 ASSI {  934}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.800     1.800     1.800 peak   934 spectrum    3 weight  0.10000E+01 volume  0.45232E-03 ppm1      6.267 ppm2      2.064 CV     1
 ASSI {  796}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak   796 spectrum    3 weight  0.10000E+01 volume  0.45431E-02 ppm1      8.415 ppm2      3.872 CV     1
 ASSI {  222}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     0.800     0.800 peak   222 spectrum    3 weight  0.10000E+01 volume  0.45431E-02 ppm1      7.151 ppm2      3.246 CV     1
 ASSI { 1207}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HD22))
      4.400     2.400     1.600 peak  1207 spectrum    3 weight  0.10000E+01 volume  0.45510E-03 ppm1      7.993 ppm2      8.671 CV     1
 ASSI {  986}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      2.800     1.000     1.000 peak   986 spectrum    3 weight  0.10000E+01 volume  0.45510E-02 ppm1      6.980 ppm2      3.835 CV     1
 ASSI { 1209}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HE22))
      4.400     2.500     1.600 peak  1209 spectrum    3 weight  0.10000E+01 volume  0.45787E-03 ppm1      8.895 ppm2      7.013 CV     1
 ASSI {  751}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   751 spectrum    3 weight  0.10000E+01 volume  0.46264E-02 ppm1      9.434 ppm2      5.115 CV     1
 ASSI { 1919}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      4.100     2.100     1.900 peak  1919 spectrum    3 weight  0.10000E+01 volume  0.46424E-03 ppm1      8.677 ppm2      1.067 CV     1
 ASSI { 1214}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.100     2.100     1.900 peak  1214 spectrum    3 weight  0.10000E+01 volume  0.46462E-03 ppm1      7.491 ppm2      4.834 CV     1
 ASSI { 1213}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HE% )
      4.500     2.500     1.500 peak  1213 spectrum    3 weight  0.10000E+01 volume  0.46462E-03 ppm1      8.288 ppm2      7.058 CV     1
 ASSI {  873}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.400     0.700     0.700 peak   873 spectrum    3 weight  0.10000E+01 volume  0.46582E-02 ppm1      9.696 ppm2      5.489 CV     1
 ASSI { 1216}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.900     1.900     1.900 peak  1216 spectrum    3 weight  0.10000E+01 volume  0.46664E-03 ppm1      8.016 ppm2      4.289 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.100     0.600     0.600 peak   757 spectrum    3 weight  0.10000E+01 volume  0.46781E-02 ppm1      8.541 ppm2      2.057 CV     1
 ASSI {  370}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.500     0.800     0.800 peak   370 spectrum    3 weight  0.10000E+01 volume  0.46781E-02 ppm1      9.091 ppm2      1.833 CV     1
 ASSI {  605}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.500     0.800     0.800 peak   605 spectrum    3 weight  0.10000E+01 volume  0.46781E-02 ppm1      8.197 ppm2      1.915 CV     1
 ASSI { 1162}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HD2%)
      4.500     2.600     1.500 peak  1162 spectrum    3 weight  0.10000E+01 volume  0.46822E-03 ppm1      7.015 ppm2      1.054 CV     1
 ASSI { 1218}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.000     2.000     2.000 peak  1218 spectrum    3 weight  0.10000E+01 volume  0.48134E-03 ppm1      7.407 ppm2      8.991 CV     1
 ASSI { 1222}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.900     1.900     1.900 peak  1222 spectrum    3 weight  0.10000E+01 volume  0.47459E-03 ppm1      8.845 ppm2      8.459 CV     1
 ASSI { 1892}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak  1892 spectrum    3 weight  0.10000E+01 volume  0.47497E-03 ppm1      8.003 ppm2      8.375 CV     1
 ASSI { 1229}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      4.800     2.800     1.200 peak  1229 spectrum    3 weight  0.10000E+01 volume  0.48213E-03 ppm1      8.921 ppm2      3.026 CV     1
 ASSI {  226}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.300     0.700     0.700 peak   226 spectrum    3 weight  0.10000E+01 volume  0.48333E-02 ppm1      7.677 ppm2      0.980 CV     1
 ASSI {  311}
   (( segid "    " and resid 54   and name HE21))
   (( segid "    " and resid 54   and name HA  ))
      4.500     2.500     1.500 peak   311 spectrum    3 weight  0.10000E+01 volume  0.48453E-03 ppm1      6.804 ppm2      4.558 CV     1
 ASSI {  552}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      2.400     0.700     0.700 peak   552 spectrum    3 weight  0.10000E+01 volume  0.48532E-02 ppm1      7.634 ppm2      3.690 CV     1
 ASSI {  604}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.500     0.800     0.800 peak   604 spectrum    3 weight  0.10000E+01 volume  0.48532E-02 ppm1      8.197 ppm2      4.024 CV     1
 ASSI {  908}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HB% )
      2.700     0.900     0.900 peak   908 spectrum    3 weight  0.10000E+01 volume  0.48693E-02 ppm1      7.787 ppm2      1.575 CV     1
 ASSI { 1233}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG12))
      4.600     2.600     1.400 peak  1233 spectrum    3 weight  0.10000E+01 volume  0.48731E-03 ppm1      8.016 ppm2      1.445 CV     1
 ASSI { 1234}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      4.600     2.700     1.400 peak  1234 spectrum    3 weight  0.10000E+01 volume  0.48850E-03 ppm1      9.435 ppm2      7.263 CV     1
 ASSI { 1235}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.300     2.300     1.700 peak  1235 spectrum    3 weight  0.10000E+01 volume  0.49128E-03 ppm1      9.052 ppm2      0.195 CV     1
 ASSI {  830}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      2.700     0.900     0.900 peak   830 spectrum    3 weight  0.10000E+01 volume  0.49210E-02 ppm1      7.493 ppm2      1.527 CV     1
 ASSI {  614}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB3 ))
      2.500     0.800     0.800 peak   614 spectrum    3 weight  0.10000E+01 volume  0.49210E-02 ppm1      8.533 ppm2      2.216 CV     1
 ASSI { 1236}
   (( segid "    " and resid 35   and name HE21))
   (  segid "    " and resid 32   and name HD% )
      4.500     2.600     1.500 peak  1236 spectrum    3 weight  0.10000E+01 volume  0.49289E-03 ppm1      6.692 ppm2      7.619 CV     1
 ASSI { 1237}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 68   and name HE1 ))
      3.700     1.700     1.700 peak  1237 spectrum    3 weight  0.10000E+01 volume  0.49289E-03 ppm1      6.977 ppm2      9.542 CV     1
 ASSI { 1931}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HE21))
      2.900     2.900     3.100 peak  1931 spectrum    3 weight  0.10000E+01 volume  0.49447E-03 ppm1      7.489 ppm2      6.725 CV     1
 ASSI { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.300     2.300     1.700 peak  1239 spectrum    3 weight  0.10000E+01 volume  0.49926E-03 ppm1      7.732 ppm2      2.029 CV     1
 ASSI { 1241}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HG13))
      4.500     2.500     1.500 peak  1241 spectrum    3 weight  0.10000E+01 volume  0.50005E-03 ppm1      7.997 ppm2      1.516 CV     1
 ASSI { 1240}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      4.400     2.500     1.600 peak  1240 spectrum    3 weight  0.10000E+01 volume  0.50005E-03 ppm1      6.792 ppm2      4.279 CV     1
 ASSI { 1242}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.700     2.700     1.300 peak  1242 spectrum    3 weight  0.10000E+01 volume  0.50324E-03 ppm1      8.684 ppm2      5.431 CV     1
 ASSI {   77}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak    77 spectrum    3 weight  0.10000E+01 volume  0.50440E-02 ppm1      7.997 ppm2      4.119 CV     1
 ASSI {  194}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.500     0.800     0.800 peak   194 spectrum    3 weight  0.10000E+01 volume  0.50440E-02 ppm1      8.154 ppm2      2.052 CV     1
 ASSI { 1245}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      4.100     2.100     1.900 peak  1245 spectrum    3 weight  0.10000E+01 volume  0.50560E-03 ppm1      9.052 ppm2      1.387 CV     1
 ASSI { 1246}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     2.900     3.100 peak  1246 spectrum    3 weight  0.10000E+01 volume  0.50560E-03 ppm1      7.897 ppm2     -0.343 CV     1
 ASSI {  835}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   835 spectrum    3 weight  0.10000E+01 volume  0.50560E-02 ppm1      7.693 ppm2      7.608 CV     1
 ASSI {  738}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   738 spectrum    3 weight  0.10000E+01 volume  0.51078E-02 ppm1      9.335 ppm2      4.585 CV     1
 ASSI { 1253}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak  1253 spectrum    3 weight  0.10000E+01 volume  0.51197E-03 ppm1      8.286 ppm2      8.906 CV     1
 ASSI { 1255}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak  1255 spectrum    3 weight  0.10000E+01 volume  0.51358E-03 ppm1      7.157 ppm2      7.482 CV     1
 ASSI {  273}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
      2.500     0.800     0.800 peak   273 spectrum    3 weight  0.10000E+01 volume  0.51437E-02 ppm1      8.286 ppm2      1.260 CV     1
 ASSI { 1964}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.500     2.500     1.500 peak  1964 spectrum    3 weight  0.10000E+01 volume  0.51516E-03 ppm1      8.189 ppm2      0.179 CV     1
 ASSI {  578}
   (( segid "    " and resid 97   and name HE22))
   (( segid "    " and resid 97   and name HB3 ))
      4.100     2.100     1.900 peak   578 spectrum    3 weight  0.10000E+01 volume  0.51595E-03 ppm1      7.185 ppm2      2.062 CV     1
 ASSI { 1259}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      2.800     2.800     3.200 peak  1259 spectrum    3 weight  0.10000E+01 volume  0.51756E-03 ppm1      8.133 ppm2      1.500 CV     1
 ASSI {  928}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.700     0.700 peak   928 spectrum    3 weight  0.10000E+01 volume  0.51835E-02 ppm1      7.644 ppm2      7.518 CV     1
 ASSI {    3}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.500     0.800     0.800 peak     3 spectrum    3 weight  0.10000E+01 volume  0.52273E-02 ppm1      8.079 ppm2      1.763 CV     1
 ASSI {  861}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HB% )
      2.600     0.900     0.900 peak   861 spectrum    3 weight  0.10000E+01 volume  0.52431E-02 ppm1      8.274 ppm2      1.260 CV     1
 ASSI {  487}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB  ))
      2.500     0.800     0.800 peak   487 spectrum    3 weight  0.10000E+01 volume  0.52551E-02 ppm1      8.474 ppm2      2.148 CV     1
 ASSI { 1264}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 32   and name HA  ))
      4.400     2.400     1.600 peak  1264 spectrum    3 weight  0.10000E+01 volume  0.52709E-03 ppm1      6.690 ppm2      4.853 CV     1
 ASSI {  651}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak   651 spectrum    3 weight  0.10000E+01 volume  0.52869E-02 ppm1      8.439 ppm2      4.490 CV     1
 ASSI { 1266}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak  1266 spectrum    3 weight  0.10000E+01 volume  0.53027E-03 ppm1      9.070 ppm2      5.219 CV     1
 ASSI {  838}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   838 spectrum    3 weight  0.10000E+01 volume  0.53188E-03 ppm1      7.608 ppm2      2.807 CV     1
 ASSI { 1267}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG12))
      4.600     2.700     1.400 peak  1267 spectrum    3 weight  0.10000E+01 volume  0.53425E-03 ppm1      7.704 ppm2      0.134 CV     1
 ASSI { 1268}
   (( segid "    " and resid 15   and name HD21))
   (  segid "    " and resid 18   and name HD1%)
      3.500     1.500     1.500 peak  1268 spectrum    3 weight  0.10000E+01 volume  0.53425E-03 ppm1      7.360 ppm2      0.163 CV     1
 ASSI { 1269}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.200     2.200     1.800 peak  1269 spectrum    3 weight  0.10000E+01 volume  0.53504E-03 ppm1      7.151 ppm2      1.632 CV     1
 ASSI { 1271}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.700     1.700     1.700 peak  1271 spectrum    3 weight  0.10000E+01 volume  0.53904E-03 ppm1      6.794 ppm2      7.233 CV     1
 ASSI { 1990}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak  1990 spectrum    3 weight  0.10000E+01 volume  0.54021E-02 ppm1      7.893 ppm2      8.010 CV     1
 ASSI {   51}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    51 spectrum    3 weight  0.10000E+01 volume  0.54021E-02 ppm1      7.853 ppm2      3.953 CV     1
 ASSI {  572}
   (( segid "    " and resid 97   and name HE22))
   (( segid "    " and resid 97   and name HN  ))
      5.200     3.400     0.800 peak   572 spectrum    3 weight  0.10000E+01 volume  0.54220E-03 ppm1      7.185 ppm2     11.407 CV     1
 ASSI {  820}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.500     0.800     0.800 peak   820 spectrum    3 weight  0.10000E+01 volume  0.54380E-02 ppm1      7.677 ppm2      0.842 CV     1
 ASSI { 1274}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak  1274 spectrum    3 weight  0.10000E+01 volume  0.54459E-03 ppm1      6.986 ppm2      4.109 CV     1
 ASSI { 1275}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.800     2.800     1.200 peak  1275 spectrum    3 weight  0.10000E+01 volume  0.54538E-03 ppm1      9.268 ppm2      1.008 CV     1
 ASSI { 1276}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
      4.500     2.500     1.500 peak  1276 spectrum    3 weight  0.10000E+01 volume  0.54857E-03 ppm1      7.704 ppm2      2.172 CV     1
 ASSI { 1231}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.000     2.000     2.000 peak  1231 spectrum    3 weight  0.10000E+01 volume  0.55176E-03 ppm1      8.538 ppm2      9.035 CV     1
 ASSI { 1279}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      4.600     2.600     1.400 peak  1279 spectrum    3 weight  0.10000E+01 volume  0.55254E-03 ppm1      7.019 ppm2      7.458 CV     1
 ASSI { 1281}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      4.200     2.200     1.800 peak  1281 spectrum    3 weight  0.10000E+01 volume  0.55494E-03 ppm1      8.782 ppm2      0.788 CV     1
 ASSI {  238}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   238 spectrum    3 weight  0.10000E+01 volume  0.55535E-02 ppm1      7.493 ppm2      4.266 CV     1
 ASSI { 1282}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      4.000     2.000     2.000 peak  1282 spectrum    3 weight  0.10000E+01 volume  0.55734E-03 ppm1      7.729 ppm2      1.334 CV     1
 ASSI { 1283}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      4.300     2.300     1.700 peak  1283 spectrum    3 weight  0.10000E+01 volume  0.55734E-03 ppm1      9.059 ppm2      6.907 CV     1
 ASSI { 1284}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     2.800     3.200 peak  1284 spectrum    3 weight  0.10000E+01 volume  0.55813E-03 ppm1      8.019 ppm2      1.825 CV     1
 ASSI {  355}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   355 spectrum    3 weight  0.10000E+01 volume  0.56052E-02 ppm1      7.235 ppm2      4.155 CV     1
 ASSI {  153}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   153 spectrum    3 weight  0.10000E+01 volume  0.56330E-02 ppm1      8.677 ppm2      4.638 CV     1
 ASSI {  954}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   954 spectrum    3 weight  0.10000E+01 volume  0.56567E-02 ppm1      9.083 ppm2      5.053 CV     1
 ASSI {  773}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.700     1.700     1.700 peak   773 spectrum    3 weight  0.10000E+01 volume  0.56608E-03 ppm1      8.677 ppm2      1.916 CV     1
 ASSI { 1292}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
      4.200     2.200     1.800 peak  1292 spectrum    3 weight  0.10000E+01 volume  0.56766E-03 ppm1      8.019 ppm2      2.143 CV     1
 ASSI { 1296}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      4.300     2.300     1.700 peak  1296 spectrum    3 weight  0.10000E+01 volume  0.57084E-03 ppm1      8.895 ppm2      4.064 CV     1
 ASSI { 1300}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      4.200     2.200     1.800 peak  1300 spectrum    3 weight  0.10000E+01 volume  0.57166E-03 ppm1      8.023 ppm2      4.074 CV     1
 ASSI { 1298}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.000     2.000     2.000 peak  1298 spectrum    3 weight  0.10000E+01 volume  0.57166E-03 ppm1      7.902 ppm2      5.204 CV     1
 ASSI { 1301}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.800     1.800     1.800 peak  1301 spectrum    3 weight  0.10000E+01 volume  0.57482E-03 ppm1      7.729 ppm2      7.399 CV     1
 ASSI {  246}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      2.400     0.700     0.700 peak   246 spectrum    3 weight  0.10000E+01 volume  0.57482E-02 ppm1      7.608 ppm2      4.072 CV     1
 ASSI {   74}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak    74 spectrum    3 weight  0.10000E+01 volume  0.57762E-02 ppm1      7.704 ppm2      4.107 CV     1
 ASSI { 1308}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HD21))
      4.200     2.200     1.800 peak  1308 spectrum    3 weight  0.10000E+01 volume  0.57841E-03 ppm1      7.014 ppm2      7.570 CV     1
 ASSI {  253}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
      2.700     0.900     0.900 peak   253 spectrum    3 weight  0.10000E+01 volume  0.58119E-02 ppm1      9.020 ppm2      1.741 CV     1
 ASSI {  321}
   (( segid "    " and resid 54   and name HE21))
   (( segid "    " and resid 54   and name HE22))
      1.400     0.200     0.800 peak   321 spectrum    3 weight  0.10000E+01 volume  0.58598E-01 ppm1      6.804 ppm2      7.740 CV     1
 ASSI {  768}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   768 spectrum    3 weight  0.10000E+01 volume  0.58756E-02 ppm1      7.257 ppm2      7.489 CV     1
 ASSI {  191}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      2.300     0.700     0.700 peak   191 spectrum    3 weight  0.10000E+01 volume  0.58756E-02 ppm1      8.023 ppm2      1.387 CV     1
 ASSI { 1306}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.300     2.300     1.700 peak  1306 spectrum    3 weight  0.10000E+01 volume  0.59113E-03 ppm1      7.896 ppm2     10.962 CV     1
 ASSI {  613}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
      2.400     0.700     0.700 peak   613 spectrum    3 weight  0.10000E+01 volume  0.69416E-02 ppm1      8.536 ppm2      2.048 CV     1
 ASSI {  894}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.400     1.500     1.500 peak   894 spectrum    3 weight  0.10000E+01 volume  0.59990E-03 ppm1      7.732 ppm2      2.762 CV     1
 ASSI {  408}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HE% )
      4.300     2.300     1.700 peak   408 spectrum    3 weight  0.10000E+01 volume  0.59990E-03 ppm1      8.685 ppm2      7.350 CV     1
 ASSI { 1310}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 37   and name HG1%)
      3.900     1.900     1.900 peak  1310 spectrum    3 weight  0.10000E+01 volume  0.60308E-03 ppm1      8.023 ppm2      0.949 CV     1
 ASSI { 1315}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.800     2.800     3.200 peak  1315 spectrum    3 weight  0.10000E+01 volume  0.60466E-03 ppm1      6.359 ppm2      0.972 CV     1
 ASSI {  612}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   612 spectrum    3 weight  0.10000E+01 volume  0.60825E-02 ppm1      8.533 ppm2      4.071 CV     1
 ASSI {  379}
   (( segid "    " and resid 67   and name HD21))
   (( segid "    " and resid 67   and name HA  ))
      4.000     2.000     2.000 peak   379 spectrum    3 weight  0.10000E+01 volume  0.60945E-03 ppm1      7.511 ppm2      4.251 CV     1
 ASSI {  662}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.400     0.700     0.700 peak   662 spectrum    3 weight  0.10000E+01 volume  0.61024E-02 ppm1      8.384 ppm2      1.894 CV     1
 ASSI { 1317}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 68   and name HH2 ))
      4.400     2.400     1.600 peak  1317 spectrum    3 weight  0.10000E+01 volume  0.61182E-03 ppm1      6.979 ppm2      7.240 CV     1
 ASSI {  228}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
      3.000     1.100     1.100 peak   228 spectrum    3 weight  0.10000E+01 volume  0.61302E-02 ppm1      7.677 ppm2      1.010 CV     1
 ASSI { 1320}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.200     2.200     1.800 peak  1320 spectrum    3 weight  0.10000E+01 volume  0.61501E-03 ppm1      7.403 ppm2      4.513 CV     1
 ASSI { 1321}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG  ))
      4.400     2.400     1.600 peak  1321 spectrum    3 weight  0.10000E+01 volume  0.61661E-03 ppm1      7.020 ppm2      1.630 CV     1
 ASSI { 1322}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
      3.800     1.800     1.800 peak  1322 spectrum    3 weight  0.10000E+01 volume  0.61740E-03 ppm1      8.918 ppm2      7.248 CV     1
 ASSI {  752}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   752 spectrum    3 weight  0.10000E+01 volume  0.61819E-03 ppm1      9.435 ppm2      2.907 CV     1
 ASSI { 1326}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      4.300     2.400     1.700 peak  1326 spectrum    3 weight  0.10000E+01 volume  0.62059E-03 ppm1      7.787 ppm2      1.467 CV     1
 ASSI {  243}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.400     0.700     0.700 peak   243 spectrum    3 weight  0.10000E+01 volume  0.62097E-02 ppm1      7.693 ppm2      3.534 CV     1
 ASSI {  356}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.300     0.700     0.700 peak   356 spectrum    3 weight  0.10000E+01 volume  0.62176E-02 ppm1      7.235 ppm2      1.959 CV     1
 ASSI {  656}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.500     0.800     0.800 peak   656 spectrum    3 weight  0.10000E+01 volume  0.62176E-02 ppm1      8.472 ppm2      1.903 CV     1
 ASSI { 1329}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.900     0.900 peak  1329 spectrum    3 weight  0.10000E+01 volume  0.62296E-02 ppm1      7.994 ppm2      2.290 CV     1
 ASSI {  484}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      2.500     0.800     0.800 peak   484 spectrum    3 weight  0.10000E+01 volume  0.62296E-02 ppm1      7.790 ppm2      0.815 CV     1
 ASSI {  576}
   (( segid "    " and resid 97   and name HE22))
   (( segid "    " and resid 97   and name HB2 ))
      4.300     2.300     1.700 peak   576 spectrum    3 weight  0.10000E+01 volume  0.62375E-03 ppm1      7.185 ppm2      1.928 CV     1
 ASSI {  939}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      2.200     0.600     0.600 peak   939 spectrum    3 weight  0.10000E+01 volume  0.62375E-02 ppm1      8.687 ppm2      4.357 CV     1
 ASSI { 1334}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      4.300     2.300     1.700 peak  1334 spectrum    3 weight  0.10000E+01 volume  0.62775E-03 ppm1      8.263 ppm2      3.901 CV     1
 ASSI { 1336}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG3 ))
      3.500     1.600     1.600 peak  1336 spectrum    3 weight  0.10000E+01 volume  0.63251E-03 ppm1      6.946 ppm2      2.169 CV     1
 ASSI {  169}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      3.900     1.900     1.900 peak   169 spectrum    3 weight  0.10000E+01 volume  0.14237E-02 ppm1      8.896 ppm2      7.591 CV     1
 ASSI { 1337}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.900     3.900     2.100 peak  1337 spectrum    3 weight  0.10000E+01 volume  0.63570E-03 ppm1      9.020 ppm2      0.947 CV     1
 ASSI { 1339}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
      4.200     2.200     1.800 peak  1339 spectrum    3 weight  0.10000E+01 volume  0.64365E-03 ppm1      7.165 ppm2      0.828 CV     1
 OR { 1339}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
 ASSI { 1342}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.700     1.700     1.700 peak  1342 spectrum    3 weight  0.10000E+01 volume  0.64763E-03 ppm1      6.792 ppm2      3.942 CV     1
 ASSI {  515}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HE21))
      5.000     3.200     1.000 peak   515 spectrum    3 weight  0.10000E+01 volume  0.64923E-03 ppm1      8.722 ppm2      6.845 CV     1
 ASSI { 1346}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.000     2.000     2.000 peak  1346 spectrum    3 weight  0.10000E+01 volume  0.65002E-03 ppm1      9.004 ppm2      1.691 CV     1
 ASSI {  527}
   (( segid "    " and resid 92   and name HE21))
   (( segid "    " and resid 92   and name HG3 ))
      4.100     2.100     1.900 peak   527 spectrum    3 weight  0.10000E+01 volume  0.65400E-03 ppm1      6.845 ppm2      2.743 CV     1
 ASSI { 1351}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.100     2.100     1.900 peak  1351 spectrum    3 weight  0.10000E+01 volume  0.65479E-03 ppm1      7.786 ppm2      0.792 CV     1
 ASSI {  588}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
      2.800     1.000     1.000 peak   588 spectrum    3 weight  0.10000E+01 volume  0.65797E-02 ppm1      6.792 ppm2      2.122 CV     1
 ASSI {   39}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak    39 spectrum    3 weight  0.10000E+01 volume  0.65876E-03 ppm1      7.120 ppm2      1.837 CV     1
 ASSI { 1353}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak  1353 spectrum    3 weight  0.10000E+01 volume  0.66353E-03 ppm1      9.005 ppm2      8.179 CV     1
 ASSI { 1404}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      4.000     2.000     2.000 peak  1404 spectrum    3 weight  0.10000E+01 volume  0.66513E-03 ppm1      7.727 ppm2      2.076 CV     1
 ASSI { 1354}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.200     2.200     1.800 peak  1354 spectrum    3 weight  0.10000E+01 volume  0.66592E-03 ppm1      6.945 ppm2      0.159 CV     1
 ASSI { 1356}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.100     2.100     1.900 peak  1356 spectrum    3 weight  0.10000E+01 volume  0.66753E-03 ppm1      7.490 ppm2      7.884 CV     1
 ASSI {  245}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   245 spectrum    3 weight  0.10000E+01 volume  0.66911E-02 ppm1      7.608 ppm2      3.829 CV     1
 ASSI {  947}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      3.500     1.500     1.500 peak   947 spectrum    3 weight  0.10000E+01 volume  0.67151E-03 ppm1      8.431 ppm2      2.175 CV     1
 ASSI { 1364}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG13))
      4.700     2.700     1.300 peak  1364 spectrum    3 weight  0.10000E+01 volume  0.67507E-03 ppm1      8.016 ppm2      1.643 CV     1
 ASSI { 1365}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak  1365 spectrum    3 weight  0.10000E+01 volume  0.67586E-03 ppm1      7.151 ppm2      3.456 CV     1
 ASSI { 1367}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.100     2.100     1.900 peak  1367 spectrum    3 weight  0.10000E+01 volume  0.67668E-03 ppm1      6.267 ppm2      4.855 CV     1
 ASSI {  987}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak   987 spectrum    3 weight  0.10000E+01 volume  0.67668E-03 ppm1      6.980 ppm2      8.782 CV     1
 ASSI {  748}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak   748 spectrum    3 weight  0.10000E+01 volume  0.67987E-03 ppm1      9.268 ppm2      2.104 CV     1
 ASSI { 1368}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HD1%)
      4.100     2.100     1.900 peak  1368 spectrum    3 weight  0.10000E+01 volume  0.68065E-03 ppm1      7.023 ppm2      0.827 CV     1
 ASSI { 1369}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.000     2.000     2.000 peak  1369 spectrum    3 weight  0.10000E+01 volume  0.68302E-03 ppm1      7.732 ppm2      2.299 CV     1
 ASSI {  869}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak   869 spectrum    3 weight  0.10000E+01 volume  0.68343E-02 ppm1      8.895 ppm2      3.650 CV     1
 ASSI { 1370}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.600     1.700     1.700 peak  1370 spectrum    3 weight  0.10000E+01 volume  0.68384E-03 ppm1      9.052 ppm2      3.202 CV     1
 ASSI { 1966}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      4.000     2.000     2.000 peak  1966 spectrum    3 weight  0.10000E+01 volume  0.69179E-03 ppm1      8.474 ppm2      1.389 CV     1
 ASSI {  803}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.500     2.500     1.500 peak   803 spectrum    3 weight  0.10000E+01 volume  0.69577E-03 ppm1      8.023 ppm2      2.637 CV     1
 ASSI {  199}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.400     0.700     0.700 peak   199 spectrum    3 weight  0.10000E+01 volume  0.69618E-02 ppm1      7.738 ppm2      2.014 CV     1
 ASSI {  855}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   855 spectrum    3 weight  0.10000E+01 volume  0.69854E-02 ppm1      8.286 ppm2      4.957 CV     1
 ASSI {   40}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 9    and name HB3 ))
      4.200     2.300     1.800 peak    40 spectrum    3 weight  0.10000E+01 volume  0.69933E-03 ppm1      6.760 ppm2      2.109 CV     1
 ASSI { 1382}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak  1382 spectrum    3 weight  0.10000E+01 volume  0.70372E-03 ppm1      8.148 ppm2      7.142 CV     1
 ASSI { 1384}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.900     1.900     1.900 peak  1384 spectrum    3 weight  0.10000E+01 volume  0.70611E-03 ppm1      7.489 ppm2      3.717 CV     1
 ASSI {  583}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 97   and name HE22))
      2.100     0.500     0.500 peak   583 spectrum    3 weight  0.10000E+01 volume  0.71129E-02 ppm1      6.643 ppm2      7.185 CV     1
 ASSI { 2003}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  2003 spectrum    3 weight  0.10000E+01 volume  0.71725E-03 ppm1      7.044 ppm2      4.845 CV     1
 ASSI { 1385}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.000     2.000     2.000 peak  1385 spectrum    3 weight  0.10000E+01 volume  0.71725E-03 ppm1      7.608 ppm2      1.529 CV     1
 ASSI {  725}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   725 spectrum    3 weight  0.10000E+01 volume  0.72122E-02 ppm1      7.707 ppm2      8.000 CV     1
 ASSI { 1386}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.600     1.600     1.600 peak  1386 spectrum    3 weight  0.10000E+01 volume  0.72201E-03 ppm1      8.472 ppm2      3.679 CV     1
 ASSI {  198}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   198 spectrum    3 weight  0.10000E+01 volume  0.72242E-02 ppm1      7.738 ppm2      3.926 CV     1
 ASSI { 1388}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.200     2.200     1.800 peak  1388 spectrum    3 weight  0.10000E+01 volume  0.72280E-03 ppm1      7.897 ppm2      4.477 CV     1
 ASSI { 1391}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.600     1.600     1.600 peak  1391 spectrum    3 weight  0.10000E+01 volume  0.72640E-03 ppm1      7.634 ppm2      3.890 CV     1
 ASSI { 1390}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      4.500     2.500     1.500 peak  1390 spectrum    3 weight  0.10000E+01 volume  0.72640E-03 ppm1      7.235 ppm2      0.762 CV     1
 ASSI { 1392}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak  1392 spectrum    3 weight  0.10000E+01 volume  0.72760E-03 ppm1      9.697 ppm2      9.435 CV     1
 ASSI { 1393}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.400     1.700 peak  1393 spectrum    3 weight  0.10000E+01 volume  0.57762E-03 ppm1      9.095 ppm2      7.517 CV     1
 ASSI { 1395}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak  1395 spectrum    3 weight  0.10000E+01 volume  0.73078E-03 ppm1      9.090 ppm2      7.142 CV     1
 ASSI { 1396}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      4.100     2.100     1.900 peak  1396 spectrum    3 weight  0.10000E+01 volume  0.73195E-03 ppm1      7.151 ppm2      2.296 CV     1
 ASSI {  938}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   938 spectrum    3 weight  0.10000E+01 volume  0.73236E-02 ppm1      8.687 ppm2      4.535 CV     1
 ASSI { 1927}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      3.900     1.900     1.900 peak  1927 spectrum    3 weight  0.10000E+01 volume  0.73315E-03 ppm1      7.491 ppm2      0.838 CV     1
 ASSI { 1397}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.200     2.200     1.800 peak  1397 spectrum    3 weight  0.10000E+01 volume  0.73435E-03 ppm1      7.165 ppm2      1.316 CV     1
 ASSI { 1400}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak  1400 spectrum    3 weight  0.10000E+01 volume  0.73993E-03 ppm1      7.257 ppm2      3.715 CV     1
 ASSI {  424}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      3.500     1.500     1.500 peak   424 spectrum    3 weight  0.10000E+01 volume  0.73993E-03 ppm1      9.937 ppm2      7.269 CV     1
 ASSI {  606}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.200     0.600     0.600 peak   606 spectrum    3 weight  0.10000E+01 volume  0.74589E-02 ppm1      8.197 ppm2      2.073 CV     1
 ASSI { 1402}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.100     2.100     1.900 peak  1402 spectrum    3 weight  0.10000E+01 volume  0.75107E-03 ppm1      8.286 ppm2      0.167 CV     1
 ASSI {  524}
   (( segid "    " and resid 92   and name HE22))
   (( segid "    " and resid 92   and name HB3 ))
      4.000     2.000     2.000 peak   524 spectrum    3 weight  0.10000E+01 volume  0.75107E-03 ppm1      7.340 ppm2      2.340 CV     1
 ASSI { 1403}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG3 ))
      3.300     1.300     1.300 peak  1403 spectrum    3 weight  0.10000E+01 volume  0.75227E-03 ppm1      7.235 ppm2      1.344 CV     1
 ASSI { 1408}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.600     1.600     1.600 peak  1408 spectrum    3 weight  0.10000E+01 volume  0.77173E-03 ppm1      7.166 ppm2      1.809 CV     1
 ASSI {  496}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      4.300     2.300     1.700 peak   496 spectrum    3 weight  0.10000E+01 volume  0.77173E-03 ppm1      8.016 ppm2      2.290 CV     1
 ASSI { 1949}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.700     1.700     1.700 peak  1949 spectrum    3 weight  0.10000E+01 volume  0.77851E-03 ppm1      9.941 ppm2      0.960 CV     1
 ASSI { 2001}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      3.600     1.600     1.600 peak  2001 spectrum    3 weight  0.10000E+01 volume  0.78965E-03 ppm1      9.051 ppm2      2.823 CV     1
 ASSI {  112}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.200     2.200     1.800 peak   112 spectrum    3 weight  0.10000E+01 volume  0.78965E-03 ppm1      9.335 ppm2      0.498 CV     1
 ASSI {  846}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   846 spectrum    3 weight  0.10000E+01 volume  0.79123E-02 ppm1      9.020 ppm2      4.911 CV     1
 ASSI {  483}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HG1%)
      2.800     1.000     1.000 peak   483 spectrum    3 weight  0.10000E+01 volume  0.79403E-02 ppm1      7.790 ppm2      0.780 CV     1
 ASSI {  860}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   860 spectrum    3 weight  0.10000E+01 volume  0.79520E-02 ppm1      8.274 ppm2      4.805 CV     1
 ASSI {  625}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   625 spectrum    3 weight  0.10000E+01 volume  0.79520E-02 ppm1      7.727 ppm2      4.084 CV     1
 ASSI { 1419}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.200     2.200     1.800 peak  1419 spectrum    3 weight  0.10000E+01 volume  0.80198E-03 ppm1      7.608 ppm2      1.644 CV     1
 ASSI {  278}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HE% )
      3.900     1.900     1.900 peak   278 spectrum    3 weight  0.10000E+01 volume  0.80874E-03 ppm1      8.274 ppm2      6.791 CV     1
 ASSI {  764}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   764 spectrum    3 weight  0.10000E+01 volume  0.81233E-03 ppm1      7.166 ppm2      8.876 CV     1
 ASSI {  523}
   (( segid "    " and resid 92   and name HE21))
   (( segid "    " and resid 92   and name HB3 ))
      5.400     3.700     0.600 peak   523 spectrum    3 weight  0.10000E+01 volume  0.81949E-04 ppm1      6.845 ppm2      2.340 CV     1
 ASSI {  587}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.200     0.600     0.600 peak   587 spectrum    3 weight  0.10000E+01 volume  0.82584E-02 ppm1      6.792 ppm2      2.075 CV     1
 ASSI {  382}
   (( segid "    " and resid 67   and name HD22))
   (( segid "    " and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak   382 spectrum    3 weight  0.10000E+01 volume  0.83381E-03 ppm1      6.796 ppm2      2.733 CV     1
 ASSI { 1430}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.100     2.100     1.900 peak  1430 spectrum    3 weight  0.10000E+01 volume  0.83697E-03 ppm1      7.548 ppm2      1.236 CV     1
 ASSI {  218}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 38   and name HE21))
      2.000     0.500     0.500 peak   218 spectrum    3 weight  0.10000E+01 volume  0.83738E-02 ppm1      7.383 ppm2      6.737 CV     1
 ASSI { 1433}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.700     1.700     1.700 peak  1433 spectrum    3 weight  0.10000E+01 volume  0.83937E-03 ppm1      8.782 ppm2      1.633 CV     1
 ASSI { 1434}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak  1434 spectrum    3 weight  0.10000E+01 volume  0.84375E-03 ppm1      8.541 ppm2      7.001 CV     1
 ASSI {  702}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.600     1.600 peak   702 spectrum    3 weight  0.10000E+01 volume  0.85410E-03 ppm1      7.937 ppm2      3.874 CV     1
 ASSI { 1440}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.200     2.200     1.800 peak  1440 spectrum    3 weight  0.10000E+01 volume  0.85647E-03 ppm1      8.876 ppm2      1.488 CV     1
 ASSI { 1441}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      3.900     1.900     1.900 peak  1441 spectrum    3 weight  0.10000E+01 volume  0.85729E-03 ppm1      8.138 ppm2      0.944 CV     1
 ASSI {  380}
   (( segid "    " and resid 67   and name HD22))
   (( segid "    " and resid 67   and name HA  ))
      3.900     1.900     1.900 peak   380 spectrum    3 weight  0.10000E+01 volume  0.88233E-03 ppm1      6.796 ppm2      4.251 CV     1
 ASSI { 1454}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      4.400     2.400     1.600 peak  1454 spectrum    3 weight  0.10000E+01 volume  0.88792E-03 ppm1      9.334 ppm2      1.090 CV     1
 ASSI { 1456}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG13))
      4.000     2.000     2.000 peak  1456 spectrum    3 weight  0.10000E+01 volume  0.89148E-03 ppm1      7.551 ppm2      1.436 CV     1
 ASSI { 1457}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.500     1.600     1.600 peak  1457 spectrum    3 weight  0.10000E+01 volume  0.89707E-03 ppm1      7.745 ppm2      8.140 CV     1
 ASSI {  795}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak   795 spectrum    3 weight  0.10000E+01 volume  0.91177E-03 ppm1      8.412 ppm2      9.655 CV     1
 ASSI { 1463}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      3.800     3.800     2.200 peak  1463 spectrum    3 weight  0.10000E+01 volume  0.91177E-03 ppm1      8.603 ppm2      2.075 CV     1
 ASSI {   92}
   (( segid "    " and resid 15   and name HD22))
   (( segid "    " and resid 15   and name HB2 ))
      4.100     2.100     1.900 peak    92 spectrum    3 weight  0.10000E+01 volume  0.91495E-03 ppm1      8.674 ppm2      1.905 CV     1
 ASSI {  787}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA1 ))
      3.900     1.900     1.900 peak   787 spectrum    3 weight  0.10000E+01 volume  0.91855E-03 ppm1      8.895 ppm2      3.810 CV     1
 ASSI { 1114}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.200     0.600     0.600 peak  1114 spectrum    3 weight  0.10000E+01 volume  0.91893E-02 ppm1      8.415 ppm2      4.406 CV     1
 ASSI { 1993}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      3.800     1.800     1.800 peak  1993 spectrum    3 weight  0.10000E+01 volume  0.91972E-03 ppm1      8.543 ppm2      0.946 CV     1
 ASSI { 1465}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.800     1.800     1.800 peak  1465 spectrum    3 weight  0.10000E+01 volume  0.92092E-03 ppm1      7.789 ppm2      1.425 CV     1
 ASSI { 1466}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.300     1.400     1.400 peak  1466 spectrum    3 weight  0.10000E+01 volume  0.92290E-03 ppm1      7.729 ppm2      2.883 CV     1
 ASSI { 1987}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.000     1.100     1.100 peak  1987 spectrum    3 weight  0.10000E+01 volume  0.92290E-03 ppm1      9.072 ppm2      1.613 CV     1
 ASSI { 1472}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.100     2.100     1.900 peak  1472 spectrum    3 weight  0.10000E+01 volume  0.92969E-03 ppm1      9.077 ppm2      0.654 CV     1
 ASSI {  223}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.200     0.600     0.600 peak   223 spectrum    3 weight  0.10000E+01 volume  0.93047E-02 ppm1      7.151 ppm2      0.842 CV     1
 ASSI { 1473}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  1473 spectrum    3 weight  0.10000E+01 volume  0.93085E-03 ppm1      9.004 ppm2      1.837 CV     1
 ASSI {  328}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      3.900     1.900     1.900 peak   328 spectrum    3 weight  0.10000E+01 volume  0.93883E-03 ppm1      6.981 ppm2      7.474 CV     1
 ASSI {  270}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HE% )
      3.600     1.600     1.600 peak   270 spectrum    3 weight  0.10000E+01 volume  0.94120E-03 ppm1      7.787 ppm2      7.066 CV     1
 ASSI { 1091}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.200     0.600     0.600 peak  1091 spectrum    3 weight  0.10000E+01 volume  0.94360E-02 ppm1      7.228 ppm2      7.507 CV     1
 ASSI { 1479}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.900     1.900     1.900 peak  1479 spectrum    3 weight  0.10000E+01 volume  0.94678E-03 ppm1      7.789 ppm2      3.674 CV     1
 ASSI { 1481}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.200     1.300     1.300 peak  1481 spectrum    3 weight  0.10000E+01 volume  0.94798E-03 ppm1      7.732 ppm2      2.483 CV     1
 ASSI { 1938}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.500     1.600     1.600 peak  1938 spectrum    3 weight  0.10000E+01 volume  0.95593E-03 ppm1      8.271 ppm2      0.167 CV     1
 ASSI {  623}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      2.200     0.600     0.600 peak   623 spectrum    3 weight  0.10000E+01 volume  0.96508E-02 ppm1      8.602 ppm2      1.454 CV     1
 ASSI {  958}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak   958 spectrum    3 weight  0.10000E+01 volume  0.96947E-03 ppm1     10.962 ppm2      9.083 CV     1
 ASSI {  961}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak   961 spectrum    3 weight  0.10000E+01 volume  0.96947E-03 ppm1     10.962 ppm2      9.068 CV     1
 ASSI { 1918}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.200     1.300     1.300 peak  1918 spectrum    3 weight  0.10000E+01 volume  0.98060E-03 ppm1      8.678 ppm2      1.494 CV     1
 ASSI {  155}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.400     1.400     1.400 peak   155 spectrum    3 weight  0.10000E+01 volume  0.99212E-03 ppm1      8.677 ppm2      3.967 CV     1
 ASSI {   41}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 9    and name HB3 ))
      3.900     1.900     1.900 peak    41 spectrum    3 weight  0.10000E+01 volume  0.99530E-03 ppm1      7.120 ppm2      2.109 CV     1
 ASSI { 1489}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.700     1.700     1.700 peak  1489 spectrum    3 weight  0.10000E+01 volume  0.99849E-03 ppm1      6.945 ppm2      1.249 CV     1
 ASSI { 1492}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      4.600     2.700     1.400 peak  1492 spectrum    3 weight  0.10000E+01 volume  0.10001E-02 ppm1     11.408 ppm2      1.362 CV     1
 ASSI {  642}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HE% )
      4.000     2.000     2.000 peak   642 spectrum    3 weight  0.10000E+01 volume  0.10144E-02 ppm1      7.227 ppm2      6.751 CV     1
 ASSI { 1111}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.300     0.600     0.600 peak  1111 spectrum    3 weight  0.10000E+01 volume  0.10188E-01 ppm1      8.384 ppm2      4.338 CV     1
 ASSI { 1497}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      3.800     1.800     1.800 peak  1497 spectrum    3 weight  0.10000E+01 volume  0.10224E-02 ppm1      9.088 ppm2      0.849 CV     1
 ASSI { 1498}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      4.400     2.400     1.600 peak  1498 spectrum    3 weight  0.10000E+01 volume  0.10224E-02 ppm1      8.845 ppm2      1.886 CV     1
 ASSI {  236}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      2.200     0.600     0.600 peak   236 spectrum    3 weight  0.10000E+01 volume  0.10228E-01 ppm1      9.087 ppm2      1.527 CV     1
 ASSI {  867}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   867 spectrum    3 weight  0.10000E+01 volume  0.10271E-02 ppm1      8.146 ppm2      8.895 CV     1
 ASSI { 1500}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.200     2.200     1.800 peak  1500 spectrum    3 weight  0.10000E+01 volume  0.10303E-02 ppm1      9.004 ppm2      0.924 CV     1
 ASSI { 1950}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      5.700     4.000     0.300 peak  1950 spectrum    3 weight  0.10000E+01 volume  0.10383E-03 ppm1      9.942 ppm2      0.517 CV     1
 ASSI {  312}
   (( segid "    " and resid 54   and name HE22))
   (( segid "    " and resid 54   and name HA  ))
      4.500     2.500     1.500 peak   312 spectrum    3 weight  0.10000E+01 volume  0.10446E-02 ppm1      7.740 ppm2      4.558 CV     1
 ASSI { 1505}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak  1505 spectrum    3 weight  0.10000E+01 volume  0.10478E-02 ppm1      9.435 ppm2      5.484 CV     1
 ASSI {  788}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
      3.000     1.200     1.200 peak   788 spectrum    3 weight  0.10000E+01 volume  0.10510E-02 ppm1      8.895 ppm2      3.870 CV     1
 ASSI {  797}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.400     1.400     1.400 peak   797 spectrum    3 weight  0.10000E+01 volume  0.10510E-02 ppm1      8.412 ppm2      4.070 CV     1
 ASSI { 1506}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1506 spectrum    3 weight  0.10000E+01 volume  0.10510E-02 ppm1      6.690 ppm2      2.290 CV     1
 ASSI { 1507}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 88   and name HG12))
      3.900     3.900     2.100 peak  1507 spectrum    3 weight  0.10000E+01 volume  0.10510E-02 ppm1      8.153 ppm2      1.471 CV     1
 ASSI {  758}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.200     2.300     1.800 peak   758 spectrum    3 weight  0.10000E+01 volume  0.10562E-02 ppm1      8.541 ppm2      2.347 CV     1
 ASSI { 1922}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.500     2.500     3.500 peak  1922 spectrum    3 weight  0.10000E+01 volume  0.10689E-02 ppm1      8.680 ppm2      4.361 CV     1
 ASSI { 1514}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      4.000     2.000     2.000 peak  1514 spectrum    3 weight  0.10000E+01 volume  0.10737E-02 ppm1      7.898 ppm2      1.805 CV     1
 ASSI { 1515}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.000     2.000     2.000 peak  1515 spectrum    3 weight  0.10000E+01 volume  0.10848E-02 ppm1      9.435 ppm2      0.645 CV     1
 ASSI {   75}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.200     0.600     0.600 peak    75 spectrum    3 weight  0.10000E+01 volume  0.13414E-01 ppm1      7.704 ppm2      1.414 CV     1
 ASSI { 1519}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      4.300     2.300     1.700 peak  1519 spectrum    3 weight  0.10000E+01 volume  0.11007E-02 ppm1      7.898 ppm2      0.742 CV     1
 ASSI {  239}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      2.200     0.600     0.600 peak   239 spectrum    3 weight  0.10000E+01 volume  0.11019E-01 ppm1      7.493 ppm2      1.640 CV     1
 ASSI {  426}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HE1 ))
      3.800     1.800     1.800 peak   426 spectrum    3 weight  0.10000E+01 volume  0.11071E-02 ppm1      9.941 ppm2      9.988 CV     1
 ASSI { 1443}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      3.500     1.500     1.500 peak  1443 spectrum    3 weight  0.10000E+01 volume  0.11071E-02 ppm1      9.068 ppm2      3.455 CV     1
 ASSI { 1930}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.900     1.900     1.900 peak  1930 spectrum    3 weight  0.10000E+01 volume  0.11214E-02 ppm1      7.494 ppm2      3.522 CV     1
 ASSI {  346}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HB% )
      2.300     0.600     0.600 peak   346 spectrum    3 weight  0.10000E+01 volume  0.11246E-01 ppm1      7.403 ppm2      1.575 CV     1
 ASSI { 1523}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
      3.200     1.300     1.300 peak  1523 spectrum    3 weight  0.10000E+01 volume  0.11294E-02 ppm1      8.541 ppm2      3.878 CV     1
 ASSI { 1524}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak  1524 spectrum    3 weight  0.10000E+01 volume  0.11358E-02 ppm1      9.052 ppm2      4.577 CV     1
 ASSI { 1529}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA2 ))
      3.700     1.700     1.700 peak  1529 spectrum    3 weight  0.10000E+01 volume  0.11711E-02 ppm1      7.347 ppm2      3.864 CV     1
 ASSI {  213}
   (( segid "    " and resid 38   and name HE21))
   (( segid "    " and resid 38   and name HG2 ))
      3.400     1.400     1.400 peak   213 spectrum    3 weight  0.10000E+01 volume  0.11711E-02 ppm1      6.737 ppm2      2.304 CV     1
 ASSI { 1530}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.200     1.300     1.300 peak  1530 spectrum    3 weight  0.10000E+01 volume  0.11743E-02 ppm1      7.347 ppm2      1.482 CV     1
 ASSI {  844}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak   844 spectrum    3 weight  0.10000E+01 volume  0.12014E-02 ppm1      7.835 ppm2      9.020 CV     1
 ASSI {  902}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak   902 spectrum    3 weight  0.10000E+01 volume  0.12062E-02 ppm1      7.403 ppm2      3.706 CV     1
 ASSI { 1537}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.500     1.500 peak  1537 spectrum    3 weight  0.10000E+01 volume  0.12093E-02 ppm1      9.088 ppm2      3.469 CV     1
 ASSI { 1035}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.100     1.200     1.200 peak  1035 spectrum    3 weight  0.10000E+01 volume  0.12221E-02 ppm1      7.634 ppm2      1.846 CV     1
 ASSI { 1540}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 47   and name HE% )
      3.100     1.200     1.200 peak  1540 spectrum    3 weight  0.10000E+01 volume  0.12332E-02 ppm1      9.085 ppm2      7.058 CV     1
 ASSI { 1541}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      2.500     2.500     3.500 peak  1541 spectrum    3 weight  0.10000E+01 volume  0.12380E-02 ppm1      9.090 ppm2      0.730 CV     1
 ASSI { 1543}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.200     1.300     1.300 peak  1543 spectrum    3 weight  0.10000E+01 volume  0.12428E-02 ppm1      8.602 ppm2      4.033 CV     1
 ASSI {  884}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.000     0.500     0.500 peak   884 spectrum    3 weight  0.10000E+01 volume  0.12455E-01 ppm1      7.016 ppm2      6.996 CV     1
 ASSI { 2004}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      3.900     1.900     1.900 peak  2004 spectrum    3 weight  0.10000E+01 volume  0.12495E-02 ppm1      6.976 ppm2      0.857 CV     1
 ASSI { 1973}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.000     2.000     2.000 peak  1973 spectrum    3 weight  0.10000E+01 volume  0.12495E-02 ppm1      7.788 ppm2      1.553 CV     1
 ASSI { 1548}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak  1548 spectrum    3 weight  0.10000E+01 volume  0.12527E-02 ppm1     10.962 ppm2      4.316 CV     1
 ASSI { 1550}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.600     1.700     1.700 peak  1550 spectrum    3 weight  0.10000E+01 volume  0.12670E-02 ppm1      7.346 ppm2      4.527 CV     1
 ASSI { 1553}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  1553 spectrum    3 weight  0.10000E+01 volume  0.12925E-02 ppm1      7.898 ppm2      4.298 CV     1
 ASSI {  671}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      3.100     1.200     1.200 peak   671 spectrum    3 weight  0.10000E+01 volume  0.13211E-02 ppm1      8.133 ppm2      4.319 CV     1
 ASSI { 1988}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG  ))
      3.200     1.300     1.300 peak  1988 spectrum    3 weight  0.10000E+01 volume  0.13275E-02 ppm1      9.072 ppm2      1.554 CV     1
 ASSI { 1559}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.400     1.400     1.400 peak  1559 spectrum    3 weight  0.10000E+01 volume  0.13291E-02 ppm1      7.258 ppm2      4.589 CV     1
 ASSI {  416}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      3.000     1.200     1.200 peak   416 spectrum    3 weight  0.10000E+01 volume  0.13549E-02 ppm1      8.431 ppm2      1.615 CV     1
 OR {  416}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1562}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      4.000     2.000     2.000 peak  1562 spectrum    3 weight  0.10000E+01 volume  0.13613E-02 ppm1      9.068 ppm2      0.798 CV     1
 ASSI { 1564}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak  1564 spectrum    3 weight  0.10000E+01 volume  0.13677E-02 ppm1      7.993 ppm2      4.846 CV     1
 ASSI { 1566}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      3.900     3.900     2.100 peak  1566 spectrum    3 weight  0.10000E+01 volume  0.13708E-02 ppm1      7.256 ppm2      1.372 CV     1
 ASSI {   85}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD21))
      3.200     1.300     1.300 peak    85 spectrum    3 weight  0.10000E+01 volume  0.13724E-02 ppm1      6.945 ppm2      7.360 CV     1
 ASSI { 1085}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      2.200     0.600     0.600 peak  1085 spectrum    3 weight  0.10000E+01 volume  0.13756E-01 ppm1      7.727 ppm2      1.454 CV     1
 ASSI {  848}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak   848 spectrum    3 weight  0.10000E+01 volume  0.13804E-02 ppm1      9.027 ppm2      7.800 CV     1
 ASSI {  128}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.100     1.200     1.200 peak   128 spectrum    3 weight  0.10000E+01 volume  0.13867E-02 ppm1      9.435 ppm2      2.347 CV     1
 ASSI { 1571}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HD2 ))
      3.000     1.100     1.100 peak  1571 spectrum    3 weight  0.10000E+01 volume  0.13919E-02 ppm1      9.004 ppm2      3.360 CV     1
 ASSI { 1573}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.100     3.100     2.900 peak  1573 spectrum    3 weight  0.10000E+01 volume  0.13963E-02 ppm1      7.729 ppm2      1.224 CV     1
 ASSI { 1574}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  1574 spectrum    3 weight  0.10000E+01 volume  0.13963E-02 ppm1      9.073 ppm2      4.532 CV     1
 ASSI { 1578}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.700     1.700     1.700 peak  1578 spectrum    3 weight  0.10000E+01 volume  0.14373E-02 ppm1      8.533 ppm2      4.258 CV     1
 ASSI {  183}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 35   and name HB3 ))
      3.400     1.400     1.400 peak   183 spectrum    3 weight  0.10000E+01 volume  0.14417E-02 ppm1      6.690 ppm2      2.637 CV     1
 ASSI { 1998}
   (( segid "    " and resid 9    and name HE22))
   (  segid "    " and resid 5    and name HG2%)
      4.200     2.200     1.800 peak  1998 spectrum    3 weight  0.10000E+01 volume  0.14552E-02 ppm1      7.120 ppm2      0.707 CV     1
 ASSI { 1580}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HD3 ))
      3.900     1.900     1.900 peak  1580 spectrum    3 weight  0.10000E+01 volume  0.14619E-02 ppm1      9.004 ppm2      3.861 CV     1
 ASSI { 1581}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      3.800     1.800     1.800 peak  1581 spectrum    3 weight  0.10000E+01 volume  0.14687E-02 ppm1      7.681 ppm2      1.525 CV     1
 ASSI {   44}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 9    and name HG3 ))
      2.700     0.900     0.900 peak    44 spectrum    3 weight  0.10000E+01 volume  0.14735E-02 ppm1      6.760 ppm2      2.335 CV     1
 ASSI { 1572}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HD3 ))
      3.700     3.700     2.300 peak  1572 spectrum    3 weight  0.10000E+01 volume  0.14981E-02 ppm1      7.727 ppm2      1.686 CV     1
 ASSI { 1587}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      3.500     1.600     1.600 peak  1587 spectrum    3 weight  0.10000E+01 volume  0.15049E-02 ppm1      8.602 ppm2      1.114 CV     1
 ASSI {  922}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.500     1.500     1.500 peak   922 spectrum    3 weight  0.10000E+01 volume  0.15073E-02 ppm1      9.097 ppm2      3.009 CV     1
 ASSI { 1591}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.100     1.200     1.200 peak  1591 spectrum    3 weight  0.10000E+01 volume  0.15184E-02 ppm1      9.052 ppm2      0.835 CV     1
 ASSI { 1914}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.900     1.900     1.900 peak  1914 spectrum    3 weight  0.10000E+01 volume  0.15252E-02 ppm1      8.380 ppm2      0.243 CV     1
 ASSI { 1594}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.200     1.300     1.300 peak  1594 spectrum    3 weight  0.10000E+01 volume  0.15319E-02 ppm1      8.154 ppm2      0.861 CV     1
 ASSI {  903}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.900     1.900     1.900 peak   903 spectrum    3 weight  0.10000E+01 volume  0.14663E-02 ppm1      7.407 ppm2      1.685 CV     1
 ASSI {  850}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.100     0.600     0.600 peak   850 spectrum    3 weight  0.10000E+01 volume  0.15729E-01 ppm1      7.787 ppm2      4.210 CV     1
 ASSI { 1598}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      4.100     2.100     1.900 peak  1598 spectrum    3 weight  0.10000E+01 volume  0.15884E-02 ppm1      7.150 ppm2      0.943 CV     1
 ASSI { 1602}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     2.400     3.600 peak  1602 spectrum    3 weight  0.10000E+01 volume  0.15884E-02 ppm1      7.605 ppm2      4.261 CV     1
 ASSI {  137}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   137 spectrum    3 weight  0.10000E+01 volume  0.15932E-02 ppm1      7.169 ppm2      4.811 CV     1
 ASSI {  508}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HD% )
      3.800     1.800     1.800 peak   508 spectrum    3 weight  0.10000E+01 volume  0.15976E-02 ppm1      8.745 ppm2      6.880 CV     1
 ASSI { 1106}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.100     0.600     0.600 peak  1106 spectrum    3 weight  0.10000E+01 volume  0.16211E-01 ppm1      8.472 ppm2      4.490 CV     1
 ASSI { 1605}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 99   and name HG  ))
      3.200     1.300     1.300 peak  1605 spectrum    3 weight  0.10000E+01 volume  0.16223E-02 ppm1      7.255 ppm2      1.740 CV     1
 ASSI { 1608}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.100     1.200     1.200 peak  1608 spectrum    3 weight  0.10000E+01 volume  0.16382E-02 ppm1      7.166 ppm2      1.488 CV     1
 ASSI {  941}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak   941 spectrum    3 weight  0.10000E+01 volume  0.16406E-02 ppm1      9.052 ppm2      2.200 CV     1
 ASSI {  339}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak   339 spectrum    3 weight  0.10000E+01 volume  0.16787E-02 ppm1      8.189 ppm2      3.706 CV     1
 ASSI { 1614}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak  1614 spectrum    3 weight  0.10000E+01 volume  0.16994E-02 ppm1      9.088 ppm2      3.929 CV     1
 ASSI { 1985}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      3.300     1.400     1.400 peak  1985 spectrum    3 weight  0.10000E+01 volume  0.17014E-02 ppm1      9.071 ppm2      0.185 CV     1
 ASSI {   53}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.000     1.100     1.100 peak    53 spectrum    3 weight  0.10000E+01 volume  0.17173E-02 ppm1      7.851 ppm2      1.502 CV     1
 ASSI {  463}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   463 spectrum    3 weight  0.10000E+01 volume  0.17197E-02 ppm1      6.980 ppm2      4.714 CV     1
 ASSI { 1619}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
      3.900     1.900     1.900 peak  1619 spectrum    3 weight  0.10000E+01 volume  0.17356E-02 ppm1      6.980 ppm2      0.789 CV     1
 ASSI { 1621}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.300     2.300     3.700 peak  1621 spectrum    3 weight  0.10000E+01 volume  0.17491E-02 ppm1      7.402 ppm2      1.812 CV     1
 ASSI { 1625}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.400     1.400     1.400 peak  1625 spectrum    3 weight  0.10000E+01 volume  0.17579E-02 ppm1      7.704 ppm2      0.794 CV     1
 ASSI {  353}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   353 spectrum    3 weight  0.10000E+01 volume  0.18009E-02 ppm1      9.071 ppm2      4.300 CV     1
 ASSI {  272}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   272 spectrum    3 weight  0.10000E+01 volume  0.18395E-02 ppm1      8.286 ppm2      4.805 CV     1
 ASSI {  626}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      2.100     0.500     0.500 peak   626 spectrum    3 weight  0.10000E+01 volume  0.19099E-01 ppm1      7.727 ppm2      1.479 CV     1
 ASSI { 1642}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 53   and name HD2%)
      3.800     1.800     1.800 peak  1642 spectrum    3 weight  0.10000E+01 volume  0.19592E-02 ppm1      8.876 ppm2      1.057 CV     1
 ASSI { 1056}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.800     1.000     1.000 peak  1056 spectrum    3 weight  0.10000E+01 volume  0.20006E-02 ppm1      7.789 ppm2      6.792 CV     1
 ASSI {  717}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     2.700     3.300 peak   717 spectrum    3 weight  0.10000E+01 volume  0.79123E-02 ppm1      7.896 ppm2      1.799 CV     1
 ASSI { 1945}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
      5.100     3.300     0.900 peak  1945 spectrum    3 weight  0.10000E+01 volume  0.20368E-03 ppm1      9.083 ppm2      2.287 CV     1
 ASSI {  177}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HE21))
      4.300     2.300     1.700 peak   177 spectrum    3 weight  0.10000E+01 volume  0.20805E-03 ppm1      7.993 ppm2      6.690 CV     1
 ASSI { 1653}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1653 spectrum    3 weight  0.10000E+01 volume  0.21004E-03 ppm1      7.605 ppm2      9.085 CV     1
 ASSI {  516}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HE22))
      6.000     4.600     0.000 peak   516 spectrum    3 weight  0.10000E+01 volume  0.21084E-03 ppm1      8.722 ppm2      7.340 CV     1
 ASSI {  744}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      4.300     2.300     1.700 peak   744 spectrum    3 weight  0.10000E+01 volume  0.26215E-03 ppm1      8.918 ppm2      1.837 CV     1
 ASSI { 1658}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      3.900     1.900     1.900 peak  1658 spectrum    3 weight  0.10000E+01 volume  0.21255E-02 ppm1      8.745 ppm2      0.821 CV     1
 ASSI { 1995}
   (( segid "    " and resid 92   and name HE22))
   (  segid "    " and resid 88   and name HG2%)
      3.100     1.200     1.200 peak  1995 spectrum    3 weight  0.10000E+01 volume  0.21318E-02 ppm1      7.350 ppm2      0.949 CV     1
 ASSI {  577}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 97   and name HB3 ))
      4.300     2.300     1.700 peak   577 spectrum    3 weight  0.10000E+01 volume  0.21362E-03 ppm1      6.643 ppm2      2.062 CV     1
 ASSI {  316}
   (( segid "    " and resid 54   and name HE22))
   (( segid "    " and resid 54   and name HB3 ))
      4.100     2.100     1.900 peak   316 spectrum    3 weight  0.10000E+01 volume  0.21605E-02 ppm1      7.740 ppm2      2.255 CV     1
 ASSI { 1130}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 98   and name HN  ))
      3.700     1.700     1.700 peak  1130 spectrum    3 weight  0.10000E+01 volume  0.21828E-02 ppm1      6.640 ppm2      6.816 CV     1
 ASSI { 2020}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG12))
      2.800     1.000     1.000 peak  2020 spectrum    3 weight  0.10000E+01 volume  0.22150E-02 ppm1      7.938 ppm2      1.550 CV     1
 OR { 2020}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG13))
 ASSI { 1204}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.400     2.400     1.600 peak  1204 spectrum    3 weight  0.10000E+01 volume  0.22357E-03 ppm1      8.745 ppm2      8.016 CV     1
 ASSI {  575}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 97   and name HB2 ))
      5.000     3.200     1.000 peak   575 spectrum    3 weight  0.10000E+01 volume  0.22396E-03 ppm1      6.643 ppm2      1.928 CV     1
 ASSI { 1667}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.900     3.000     1.100 peak  1667 spectrum    3 weight  0.10000E+01 volume  0.22436E-03 ppm1      8.895 ppm2      0.184 CV     1
 ASSI {  184}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HB3 ))
      3.600     1.600     1.600 peak   184 spectrum    3 weight  0.10000E+01 volume  0.22564E-02 ppm1      7.040 ppm2      2.637 CV     1
 ASSI {  104}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      3.700     1.700     1.700 peak   104 spectrum    3 weight  0.10000E+01 volume  0.22659E-02 ppm1      7.729 ppm2      1.097 CV     1
 ASSI {  847}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      3.100     3.100     2.900 peak   847 spectrum    3 weight  0.10000E+01 volume  0.22691E-02 ppm1      9.020 ppm2      1.441 CV     1
 ASSI {  615}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG2 ))
      3.600     1.600     1.600 peak   615 spectrum    3 weight  0.10000E+01 volume  0.23172E-02 ppm1      8.533 ppm2      2.342 CV     1
 ASSI { 1958}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
      3.600     1.700     1.700 peak  1958 spectrum    3 weight  0.10000E+01 volume  0.23236E-02 ppm1      7.023 ppm2      2.490 CV     1
 ASSI { 1678}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.600     1.600     1.600 peak  1678 spectrum    3 weight  0.10000E+01 volume  0.23268E-02 ppm1      7.897 ppm2      0.800 CV     1
 ASSI {  139}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.600     0.800     0.800 peak   139 spectrum    3 weight  0.10000E+01 volume  0.52551E-02 ppm1      7.171 ppm2      3.704 CV     1
 ASSI { 1992}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 50   and name HG1%)
      4.900     3.000     1.100 peak  1992 spectrum    3 weight  0.10000E+01 volume  0.23550E-03 ppm1      9.443 ppm2      0.457 CV     1
 ASSI { 1683}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      5.600     3.900     0.400 peak  1683 spectrum    3 weight  0.10000E+01 volume  0.23550E-03 ppm1      8.922 ppm2      6.884 CV     1
 ASSI {  775}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   775 spectrum    3 weight  0.10000E+01 volume  0.23554E-02 ppm1      8.677 ppm2      7.347 CV     1
 ASSI { 1687}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.400     2.400     1.600 peak  1687 spectrum    3 weight  0.10000E+01 volume  0.23670E-03 ppm1      6.795 ppm2      8.171 CV     1
 ASSI { 1688}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  1688 spectrum    3 weight  0.10000E+01 volume  0.23872E-02 ppm1      8.023 ppm2      2.281 CV     1
 ASSI {  519}
   (( segid "    " and resid 92   and name HE21))
   (( segid "    " and resid 92   and name HA  ))
      5.300     3.500     0.700 peak   519 spectrum    3 weight  0.10000E+01 volume  0.24067E-03 ppm1      6.845 ppm2      3.894 CV     1
 ASSI { 1694}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.800     2.900     1.200 peak  1694 spectrum    3 weight  0.10000E+01 volume  0.24306E-03 ppm1      9.261 ppm2      0.171 CV     1
 ASSI { 1982}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      3.300     3.300     2.700 peak  1982 spectrum    3 weight  0.10000E+01 volume  0.24385E-02 ppm1      8.439 ppm2      1.499 CV     1
 ASSI {  358}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.100     1.200     1.200 peak   358 spectrum    3 weight  0.10000E+01 volume  0.37650E-02 ppm1      7.231 ppm2      1.481 CV     1
 ASSI { 1679}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      5.200     3.400     0.800 peak  1679 spectrum    3 weight  0.10000E+01 volume  0.24465E-03 ppm1      7.015 ppm2      0.183 CV     1
 ASSI {  904}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.800     1.000     1.000 peak   904 spectrum    3 weight  0.10000E+01 volume  0.22691E-02 ppm1      7.407 ppm2      2.017 CV     1
 ASSI { 1699}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.500     2.500     1.500 peak  1699 spectrum    3 weight  0.10000E+01 volume  0.36241E-03 ppm1      7.653 ppm2      4.843 CV     1
 ASSI { 1920}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      4.200     4.200     1.800 peak  1920 spectrum    3 weight  0.10000E+01 volume  0.24624E-03 ppm1      8.678 ppm2      0.853 CV     1
 ASSI {  383}
   (( segid "    " and resid 67   and name HD21))
   (( segid "    " and resid 67   and name HB3 ))
      2.700     0.900     0.900 peak   383 spectrum    3 weight  0.10000E+01 volume  0.24863E-02 ppm1      7.511 ppm2      3.199 CV     1
 ASSI {   47}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 9    and name HE21))
      1.700     0.300     0.500 peak    47 spectrum    3 weight  0.10000E+01 volume  0.25277E-01 ppm1      7.120 ppm2      6.760 CV     1
 ASSI { 1712}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.800     2.900     1.200 peak  1712 spectrum    3 weight  0.10000E+01 volume  0.25380E-03 ppm1      9.000 ppm2      7.005 CV     1
 ASSI { 1718}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak  1718 spectrum    3 weight  0.10000E+01 volume  0.25818E-03 ppm1      6.984 ppm2      9.685 CV     1
 ASSI { 1719}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 114  and name HB% )
      4.500     2.600     1.500 peak  1719 spectrum    3 weight  0.10000E+01 volume  0.25937E-03 ppm1      6.794 ppm2      1.392 CV     1
 ASSI {  306}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      3.400     1.500     1.500 peak   306 spectrum    3 weight  0.10000E+01 volume  0.25985E-02 ppm1      7.020 ppm2      2.425 CV     1
 ASSI {  186}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HE21))
      1.600     0.300     0.600 peak   186 spectrum    3 weight  0.10000E+01 volume  0.25997E-01 ppm1      7.040 ppm2      6.690 CV     1
 ASSI {  318}
   (( segid "    " and resid 54   and name HE22))
   (( segid "    " and resid 54   and name HG2 ))
      3.300     1.400     1.400 peak   318 spectrum    3 weight  0.10000E+01 volume  0.26016E-02 ppm1      7.740 ppm2      2.421 CV     1
 ASSI {  110}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      3.300     1.300     1.300 peak   110 spectrum    3 weight  0.10000E+01 volume  0.26430E-02 ppm1      9.335 ppm2      0.849 CV     1
 ASSI { 1722}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      4.700     2.700     1.300 peak  1722 spectrum    3 weight  0.10000E+01 volume  0.26494E-03 ppm1      7.989 ppm2      4.088 CV     1
 ASSI { 1725}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.400     2.400     1.600 peak  1725 spectrum    3 weight  0.10000E+01 volume  0.26574E-03 ppm1      8.260 ppm2      6.990 CV     1
 ASSI { 1728}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.700     2.800     1.300 peak  1728 spectrum    3 weight  0.10000E+01 volume  0.26653E-03 ppm1      7.732 ppm2      3.715 CV     1
 ASSI { 1731}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      4.600     2.700     1.400 peak  1731 spectrum    3 weight  0.10000E+01 volume  0.26892E-03 ppm1      8.438 ppm2      3.848 CV     1
 ASSI { 1735}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.500     2.500     1.500 peak  1735 spectrum    3 weight  0.10000E+01 volume  0.27250E-03 ppm1      8.286 ppm2      5.785 CV     1
 ASSI { 1940}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HE% )
      4.700     2.800     1.300 peak  1940 spectrum    3 weight  0.10000E+01 volume  0.27290E-03 ppm1      8.276 ppm2      7.076 CV     1
 ASSI { 1736}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HE% )
      4.900     3.100     1.100 peak  1736 spectrum    3 weight  0.10000E+01 volume  0.27329E-03 ppm1      8.719 ppm2      6.727 CV     1
 ASSI {  784}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      4.200     2.200     1.800 peak   784 spectrum    3 weight  0.10000E+01 volume  0.27409E-03 ppm1      8.980 ppm2      3.435 CV     1
 ASSI { 1738}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.600     2.700     1.400 peak  1738 spectrum    3 weight  0.10000E+01 volume  0.27488E-03 ppm1     11.410 ppm2      7.641 CV     1
 ASSI {  960}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      4.700     2.700     1.300 peak   960 spectrum    3 weight  0.10000E+01 volume  0.27568E-03 ppm1     10.962 ppm2      1.841 CV     1
 ASSI { 1967}
   (( segid "    " and resid 9    and name HE21))
   (  segid "    " and resid 12   and name HD1%)
      4.900     3.000     1.100 peak  1967 spectrum    3 weight  0.10000E+01 volume  0.27846E-03 ppm1      6.760 ppm2     -0.332 CV     1
 ASSI {  573}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 97   and name HA  ))
      5.100     3.200     0.900 peak   573 spectrum    3 weight  0.10000E+01 volume  0.27846E-03 ppm1      6.643 ppm2      3.817 CV     1
 ASSI { 1742}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.300     2.300     1.700 peak  1742 spectrum    3 weight  0.10000E+01 volume  0.27926E-03 ppm1      6.945 ppm2      4.316 CV     1
 ASSI { 1113}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
      3.200     1.300     1.300 peak  1113 spectrum    3 weight  0.10000E+01 volume  0.27978E-02 ppm1      8.384 ppm2      2.080 CV     1
 ASSI { 1744}
   (( segid "    " and resid 38   and name HE21))
   (  segid "    " and resid 37   and name HG2%)
      4.500     2.500     1.500 peak  1744 spectrum    3 weight  0.10000E+01 volume  0.28005E-03 ppm1      6.737 ppm2      1.044 CV     1
 ASSI { 1745}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.400     1.700 peak  1745 spectrum    3 weight  0.10000E+01 volume  0.28005E-03 ppm1      8.283 ppm2      9.330 CV     1
 ASSI { 1748}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      4.600     2.600     1.400 peak  1748 spectrum    3 weight  0.10000E+01 volume  0.28204E-03 ppm1      7.788 ppm2      0.302 CV     1
 ASSI { 1750}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.500     2.500     1.500 peak  1750 spectrum    3 weight  0.10000E+01 volume  0.28324E-03 ppm1      7.403 ppm2      0.796 CV     1
 ASSI { 1753}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.400     2.500     1.600 peak  1753 spectrum    3 weight  0.10000E+01 volume  0.28403E-03 ppm1      7.256 ppm2      4.839 CV     1
 ASSI { 1754}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      5.200     3.300     0.800 peak  1754 spectrum    3 weight  0.10000E+01 volume  0.28563E-03 ppm1      8.745 ppm2      1.895 CV     1
 ASSI {  521}
   (( segid "    " and resid 92   and name HE21))
   (( segid "    " and resid 92   and name HB2 ))
      5.000     3.100     1.000 peak   521 spectrum    3 weight  0.10000E+01 volume  0.28563E-03 ppm1      6.845 ppm2      2.172 CV     1
 ASSI { 1757}
   (( segid "    " and resid 54   and name HE21))
   (  segid "    " and resid 52   and name HG2%)
      5.000     3.100     1.000 peak  1757 spectrum    3 weight  0.10000E+01 volume  0.28602E-03 ppm1      6.804 ppm2      0.651 CV     1
 ASSI { 1759}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HG3 ))
      5.600     4.000     0.400 peak  1759 spectrum    3 weight  0.10000E+01 volume  0.28642E-03 ppm1      8.722 ppm2      1.980 CV     1
 ASSI {  381}
   (( segid "    " and resid 67   and name HD21))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.900     0.900 peak   381 spectrum    3 weight  0.10000E+01 volume  0.28881E-02 ppm1      7.507 ppm2      2.717 CV     1
 ASSI { 1760}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      4.200     2.200     1.800 peak  1760 spectrum    3 weight  0.10000E+01 volume  0.28921E-03 ppm1      8.899 ppm2      7.467 CV     1
 ASSI { 1761}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.100     3.100     2.900 peak  1761 spectrum    3 weight  0.10000E+01 volume  0.28921E-03 ppm1      8.606 ppm2      9.035 CV     1
 ASSI {   90}
   (( segid "    " and resid 15   and name HD22))
   (( segid "    " and resid 15   and name HA  ))
      4.700     2.700     1.300 peak    90 spectrum    3 weight  0.10000E+01 volume  0.29199E-03 ppm1      8.679 ppm2      5.156 CV     1
 ASSI {  537}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
      2.400     0.700     0.700 peak   537 spectrum    3 weight  0.10000E+01 volume  0.29331E-02 ppm1      7.492 ppm2      1.775 CV     1
 ASSI { 1768}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.200     2.200     1.800 peak  1768 spectrum    3 weight  0.10000E+01 volume  0.29556E-03 ppm1      6.987 ppm2      4.265 CV     1
 ASSI { 1763}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HB3 ))
      3.100     3.100     2.900 peak  1763 spectrum    3 weight  0.10000E+01 volume  0.29635E-03 ppm1      7.727 ppm2      2.193 CV     1
 ASSI { 1771}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.300     3.300     2.700 peak  1771 spectrum    3 weight  0.10000E+01 volume  0.29694E-02 ppm1      7.732 ppm2      1.694 CV     1
 ASSI {  805}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak   805 spectrum    3 weight  0.10000E+01 volume  0.29828E-02 ppm1      8.155 ppm2      8.009 CV     1
 ASSI { 1773}
   (( segid "    " and resid 54   and name HE22))
   (  segid "    " and resid 52   and name HG2%)
      5.100     3.300     0.900 peak  1773 spectrum    3 weight  0.10000E+01 volume  0.29916E-03 ppm1      7.743 ppm2      0.654 CV     1
 ASSI { 1776}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.200     2.200     1.800 peak  1776 spectrum    3 weight  0.10000E+01 volume  0.30234E-03 ppm1      8.745 ppm2      7.482 CV     1
 ASSI { 1779}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak  1779 spectrum    3 weight  0.10000E+01 volume  0.30416E-02 ppm1      7.258 ppm2      1.669 CV     1
 ASSI {  883}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.000     1.100     1.100 peak   883 spectrum    3 weight  0.10000E+01 volume  0.30460E-02 ppm1      7.017 ppm2      2.452 CV     1
 ASSI { 1815}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.900     3.100     1.100 peak  1815 spectrum    3 weight  0.10000E+01 volume  0.30471E-03 ppm1      8.685 ppm2      0.179 CV     1
 ASSI { 1783}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.800     2.900     1.200 peak  1783 spectrum    3 weight  0.10000E+01 volume  0.30591E-03 ppm1      7.165 ppm2      3.393 CV     1
 ASSI { 1784}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 68   and name HE1 ))
      4.100     2.100     1.900 peak  1784 spectrum    3 weight  0.10000E+01 volume  0.30670E-03 ppm1      8.785 ppm2      9.542 CV     1
 ASSI { 1925}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      3.200     1.200     1.200 peak  1925 spectrum    3 weight  0.10000E+01 volume  0.30687E-02 ppm1      7.737 ppm2      1.051 CV     1
 ASSI { 1939}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HG1%)
      4.800     2.900     1.200 peak  1939 spectrum    3 weight  0.10000E+01 volume  0.30752E-03 ppm1      8.271 ppm2      0.472 CV     1
 ASSI {  425}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HE3 ))
      4.900     3.100     1.100 peak   425 spectrum    3 weight  0.10000E+01 volume  0.30752E-03 ppm1      9.937 ppm2      6.999 CV     1
 ASSI { 1953}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.300     2.400     1.700 peak  1953 spectrum    3 weight  0.10000E+01 volume  0.32301E-03 ppm1      7.807 ppm2      8.762 CV     1
 ASSI {  762}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.000     2.000     2.000 peak   762 spectrum    3 weight  0.10000E+01 volume  0.30790E-03 ppm1      8.884 ppm2      1.779 CV     1
 ASSI { 1788}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      4.100     2.100     1.900 peak  1788 spectrum    3 weight  0.10000E+01 volume  0.31266E-03 ppm1      9.020 ppm2      1.106 CV     1
 ASSI { 1789}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HE% )
      4.300     2.300     1.700 peak  1789 spectrum    3 weight  0.10000E+01 volume  0.31348E-03 ppm1      9.091 ppm2      6.627 CV     1
 ASSI {  507}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HE% )
      5.200     3.400     0.800 peak   507 spectrum    3 weight  0.10000E+01 volume  0.31386E-03 ppm1      8.745 ppm2      6.727 CV     1
 ASSI { 1794}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      5.100     3.200     0.900 peak  1794 spectrum    3 weight  0.10000E+01 volume  0.31468E-03 ppm1      7.732 ppm2      3.850 CV     1
 ASSI { 1039}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA1 ))
      2.800     1.000     1.000 peak  1039 spectrum    3 weight  0.10000E+01 volume  0.31503E-02 ppm1      7.896 ppm2      3.679 CV     1
 ASSI { 1795}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.300     2.300     1.700 peak  1795 spectrum    3 weight  0.10000E+01 volume  0.31784E-03 ppm1      7.493 ppm2      8.845 CV     1
 ASSI { 1796}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.700     2.800     1.300 peak  1796 spectrum    3 weight  0.10000E+01 volume  0.31825E-03 ppm1      7.999 ppm2      5.166 CV     1
 ASSI {  522}
   (( segid "    " and resid 92   and name HE22))
   (( segid "    " and resid 92   and name HB2 ))
      4.800     2.900     1.200 peak   522 spectrum    3 weight  0.10000E+01 volume  0.31944E-03 ppm1      7.340 ppm2      2.172 CV     1
 ASSI {  249}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      3.000     3.000     3.000 peak   249 spectrum    3 weight  0.10000E+01 volume  0.32090E-02 ppm1      7.837 ppm2      1.441 CV     1
 ASSI { 1804}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG  ))
      5.400     3.700     0.600 peak  1804 spectrum    3 weight  0.10000E+01 volume  0.32421E-03 ppm1      9.694 ppm2      1.639 CV     1
 ASSI { 1951}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      4.400     2.500     1.600 peak  1951 spectrum    3 weight  0.10000E+01 volume  0.32462E-03 ppm1      9.941 ppm2      1.844 CV     1
 ASSI {  864}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   864 spectrum    3 weight  0.10000E+01 volume  0.32497E-02 ppm1      8.146 ppm2      5.805 CV     1
 ASSI { 1805}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
      4.700     2.800     1.300 peak  1805 spectrum    3 weight  0.10000E+01 volume  0.32582E-03 ppm1      6.980 ppm2      1.210 CV     1
 ASSI { 1806}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      4.200     2.200     1.800 peak  1806 spectrum    3 weight  0.10000E+01 volume  0.32582E-03 ppm1      8.016 ppm2      3.334 CV     1
 ASSI {  443}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   443 spectrum    3 weight  0.10000E+01 volume  0.32587E-02 ppm1      7.897 ppm2      4.767 CV     1
 ASSI {  212}
   (( segid "    " and resid 38   and name HE22))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     6.000     0.000 peak   212 spectrum    3 weight  0.10000E+01 volume  0.32620E-04 ppm1      7.383 ppm2      2.045 CV     1
 ASSI {  851}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
      3.400     1.400     1.400 peak   851 spectrum    3 weight  0.10000E+01 volume  0.32812E-02 ppm1      7.787 ppm2      1.741 CV     1
 ASSI { 1811}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.900     3.000     1.100 peak  1811 spectrum    3 weight  0.10000E+01 volume  0.32859E-03 ppm1      7.012 ppm2      0.634 CV     1
 ASSI {  759}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak   759 spectrum    3 weight  0.10000E+01 volume  0.33017E-03 ppm1      8.541 ppm2      8.876 CV     1
 ASSI { 1813}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HE3 ))
      4.700     2.700     1.300 peak  1813 spectrum    3 weight  0.10000E+01 volume  0.33017E-03 ppm1      9.067 ppm2      7.005 CV     1
 ASSI { 1962}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 91   and name HD% )
      4.400     2.500     1.600 peak  1962 spectrum    3 weight  0.10000E+01 volume  0.33257E-03 ppm1      7.682 ppm2      6.870 CV     1
 ASSI { 1819}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.800     2.800     3.200 peak  1819 spectrum    3 weight  0.10000E+01 volume  0.33356E-02 ppm1      9.004 ppm2      2.045 CV     1
 ASSI { 1002}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak  1002 spectrum    3 weight  0.10000E+01 volume  0.33356E-02 ppm1      7.790 ppm2      3.923 CV     1
 ASSI { 1820}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.700     2.700     1.300 peak  1820 spectrum    3 weight  0.10000E+01 volume  0.33377E-03 ppm1      8.876 ppm2      2.865 CV     1
 ASSI {  342}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak   342 spectrum    3 weight  0.10000E+01 volume  0.33654E-03 ppm1      8.189 ppm2      2.297 CV     1
 ASSI { 1822}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HB3 ))
      3.100     3.100     2.900 peak  1822 spectrum    3 weight  0.10000E+01 volume  0.33695E-03 ppm1      8.603 ppm2      2.223 CV     1
 ASSI { 1003}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      2.500     0.800     0.800 peak  1003 spectrum    3 weight  0.10000E+01 volume  0.33762E-02 ppm1      7.794 ppm2      1.603 CV     1
 ASSI {  940}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak   940 spectrum    3 weight  0.10000E+01 volume  0.33806E-02 ppm1      9.055 ppm2      5.429 CV     1
 ASSI { 1824}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.900     3.000     1.100 peak  1824 spectrum    3 weight  0.10000E+01 volume  0.33894E-03 ppm1      7.705 ppm2      0.500 CV     1
 ASSI { 1828}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      4.600     2.600     1.400 peak  1828 spectrum    3 weight  0.10000E+01 volume  0.34172E-03 ppm1      8.133 ppm2      1.897 CV     1
 ASSI { 1829}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 49   and name HD% )
      3.000     3.000     3.000 peak  1829 spectrum    3 weight  0.10000E+01 volume  0.34251E-03 ppm1      9.687 ppm2      6.892 CV     1
 ASSI { 1832}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      4.200     2.200     1.800 peak  1832 spectrum    3 weight  0.10000E+01 volume  0.34411E-03 ppm1      8.413 ppm2      3.450 CV     1
 ASSI { 1836}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.200     2.200     1.800 peak  1836 spectrum    3 weight  0.10000E+01 volume  0.34528E-03 ppm1      7.733 ppm2      4.271 CV     1
 ASSI { 1942}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.500     2.600     1.500 peak  1942 spectrum    3 weight  0.10000E+01 volume  0.34689E-03 ppm1      8.274 ppm2      8.906 CV     1
 ASSI { 1840}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HB3 ))
      4.600     2.600     1.400 peak  1840 spectrum    3 weight  0.10000E+01 volume  0.34768E-03 ppm1      8.133 ppm2      2.029 CV     1
 ASSI { 1841}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.600     2.700     1.400 peak  1841 spectrum    3 weight  0.10000E+01 volume  0.26374E-03 ppm1      7.405 ppm2      0.957 CV     1
 ASSI {  815}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     0.800     0.800 peak   815 spectrum    3 weight  0.10000E+01 volume  0.31865E-02 ppm1      7.152 ppm2      2.006 CV     1
 ASSI {  190}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak   190 spectrum    3 weight  0.10000E+01 volume  0.34934E-02 ppm1      8.023 ppm2      3.915 CV     1
 ASSI { 1842}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.400     2.500     1.600 peak  1842 spectrum    3 weight  0.10000E+01 volume  0.35008E-03 ppm1      7.150 ppm2      1.521 CV     1
 ASSI { 1843}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.200     2.200     1.800 peak  1843 spectrum    3 weight  0.10000E+01 volume  0.35008E-03 ppm1      7.017 ppm2      8.887 CV     1
 ASSI { 1844}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.300     2.300     1.700 peak  1844 spectrum    3 weight  0.10000E+01 volume  0.35046E-03 ppm1      7.607 ppm2      4.884 CV     1
 ASSI { 1131}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.000     3.000     3.000 peak  1131 spectrum    3 weight  0.10000E+01 volume  0.35046E-03 ppm1      8.196 ppm2     11.404 CV     1
 ASSI {  899}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak   899 spectrum    3 weight  0.10000E+01 volume  0.35119E-02 ppm1      8.189 ppm2      1.829 CV     1
 ASSI {   22}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.600     0.800     0.800 peak    22 spectrum    3 weight  0.10000E+01 volume  0.35297E-02 ppm1      7.937 ppm2      1.453 CV     1
 ASSI { 1846}
   (( segid "    " and resid 92   and name HE21))
   (( segid "    " and resid 89   and name HA  ))
      3.000     3.000     3.000 peak  1846 spectrum    3 weight  0.10000E+01 volume  0.35364E-03 ppm1      6.842 ppm2      4.099 CV     1
 ASSI { 1847}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      4.900     2.900     1.100 peak  1847 spectrum    3 weight  0.10000E+01 volume  0.35364E-03 ppm1      8.138 ppm2      1.916 CV     1
 ASSI { 1849}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      4.200     2.300     1.800 peak  1849 spectrum    3 weight  0.10000E+01 volume  0.35446E-03 ppm1      7.649 ppm2      0.320 CV     1
 ASSI { 1851}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.300     2.400     1.700 peak  1851 spectrum    3 weight  0.10000E+01 volume  0.35525E-03 ppm1      9.338 ppm2     10.962 CV     1
 ASSI { 1850}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      4.400     2.500     1.600 peak  1850 spectrum    3 weight  0.10000E+01 volume  0.35525E-03 ppm1      8.922 ppm2      0.279 CV     1
 ASSI { 1853}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak  1853 spectrum    3 weight  0.10000E+01 volume  0.35762E-03 ppm1      9.268 ppm2      9.935 CV     1
 ASSI {  754}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak   754 spectrum    3 weight  0.10000E+01 volume  0.36121E-03 ppm1      9.437 ppm2      8.519 CV     1
 ASSI { 1858}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 17   and name HG13))
      4.100     2.100     1.900 peak  1858 spectrum    3 weight  0.10000E+01 volume  0.36241E-03 ppm1      7.837 ppm2      1.102 CV     1
 ASSI { 1941}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
      4.100     2.200     1.900 peak  1941 spectrum    3 weight  0.10000E+01 volume  0.36241E-03 ppm1      8.276 ppm2      7.259 CV     1
 ASSI {  989}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   989 spectrum    3 weight  0.10000E+01 volume  0.36340E-02 ppm1      8.782 ppm2      4.714 CV     1
 ASSI {  182}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HA  ))
      5.100     3.300     0.900 peak   182 spectrum    3 weight  0.10000E+01 volume  0.36361E-03 ppm1      7.040 ppm2      3.919 CV     1
 ASSI { 1863}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      5.000     3.200     1.000 peak  1863 spectrum    3 weight  0.10000E+01 volume  0.36478E-03 ppm1      9.004 ppm2      0.796 CV     1
 ASSI {  349}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak   349 spectrum    3 weight  0.10000E+01 volume  0.36519E-02 ppm1      7.787 ppm2      1.753 CV     1
 ASSI { 1868}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      4.700     2.700     1.300 peak  1868 spectrum    3 weight  0.10000E+01 volume  0.36837E-03 ppm1      8.722 ppm2      4.456 CV     1
 ASSI { 1870}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.100     2.100     1.900 peak  1870 spectrum    3 weight  0.10000E+01 volume  0.36837E-03 ppm1      8.722 ppm2      7.634 CV     1
 ASSI {  386}
   (( segid "    " and resid 67   and name HD22))
   (( segid "    " and resid 67   and name HD21))
      1.700     0.300     0.500 peak   386 spectrum    3 weight  0.10000E+01 volume  0.37226E-01 ppm1      6.791 ppm2      7.500 CV     1
 ASSI { 1875}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     2.900     3.100 peak  1875 spectrum    3 weight  0.10000E+01 volume  0.37334E-02 ppm1      7.166 ppm2      4.633 CV     1
 ASSI { 1879}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.400     2.400     1.600 peak  1879 spectrum    3 weight  0.10000E+01 volume  0.37591E-03 ppm1      7.729 ppm2      0.173 CV     1
 ASSI {  879}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak   879 spectrum    3 weight  0.10000E+01 volume  0.37606E-02 ppm1      9.073 ppm2      7.001 CV     1
 ASSI { 1179}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.100     2.100     1.900 peak  1179 spectrum    3 weight  0.10000E+01 volume  0.37673E-03 ppm1      8.876 ppm2      9.678 CV     1
 ASSI { 1145}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      4.600     2.700     1.400 peak  1145 spectrum    3 weight  0.10000E+01 volume  0.37673E-03 ppm1      7.403 ppm2      0.179 CV     1
 ASSI { 1880}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.600     2.600     1.400 peak  1880 spectrum    3 weight  0.10000E+01 volume  0.37673E-03 ppm1      9.068 ppm2      0.974 CV     1
 ASSI { 1882}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      3.800     1.800     1.800 peak  1882 spectrum    3 weight  0.10000E+01 volume  0.37793E-03 ppm1      7.606 ppm2      2.059 CV     1
 ASSI { 1798}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.100     2.100     1.900 peak  1798 spectrum    3 weight  0.10000E+01 volume  0.37872E-03 ppm1      8.538 ppm2      7.727 CV     1
 ASSI {  761}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   761 spectrum    3 weight  0.10000E+01 volume  0.37875E-02 ppm1      8.876 ppm2      4.527 CV     1
 ASSI { 1886}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.500     2.500     1.500 peak  1886 spectrum    3 weight  0.10000E+01 volume  0.38191E-03 ppm1      8.154 ppm2      2.286 CV     1
 ASSI { 1887}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.000     2.000     2.000 peak  1887 spectrum    3 weight  0.10000E+01 volume  0.38229E-03 ppm1      7.898 ppm2      4.503 CV     1
 ASSI {  313}
   (( segid "    " and resid 54   and name HE21))
   (( segid "    " and resid 54   and name HB2 ))
      5.200     3.300     0.800 peak   313 spectrum    3 weight  0.10000E+01 volume  0.38269E-03 ppm1      6.804 ppm2      1.799 CV     1
 ASSI {  598}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
      2.600     0.800     0.800 peak   598 spectrum    3 weight  0.10000E+01 volume  0.38506E-02 ppm1      9.035 ppm2      2.134 CV     1
 ASSI {  749}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.400     1.600 peak   749 spectrum    3 weight  0.10000E+01 volume  0.38588E-03 ppm1      9.268 ppm2      9.435 CV     1
 ASSI { 1890}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 111  and name HB3 ))
      2.000     2.000     4.000 peak  1890 spectrum    3 weight  0.10000E+01 volume  0.38600E-02 ppm1      9.020 ppm2      2.070 CV     1
 ASSI {  952}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.400     1.600 peak   952 spectrum    3 weight  0.10000E+01 volume  0.38667E-03 ppm1      9.941 ppm2      9.083 CV     1
 ASSI { 1891}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.600     2.600     1.400 peak  1891 spectrum    3 weight  0.10000E+01 volume  0.38667E-03 ppm1      7.262 ppm2      3.815 CV     1
 ASSI { 1120}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.600     1.600     1.600 peak  1120 spectrum    3 weight  0.10000E+01 volume  0.38787E-03 ppm1      8.133 ppm2      2.582 CV     1
 ASSI {  209}
   (( segid "    " and resid 38   and name HE21))
   (( segid "    " and resid 38   and name HB2 ))
      4.800     2.800     1.200 peak   209 spectrum    3 weight  0.10000E+01 volume  0.38907E-03 ppm1      6.737 ppm2      2.014 CV     1
 ASSI { 1896}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.600     2.700     1.400 peak  1896 spectrum    3 weight  0.10000E+01 volume  0.38907E-03 ppm1      8.472 ppm2      4.091 CV     1
 ASSI { 1897}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.900     1.900     1.900 peak  1897 spectrum    3 weight  0.10000E+01 volume  0.38945E-03 ppm1      9.004 ppm2      2.483 CV     1
 ASSI {   36}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 9    and name HA  ))
      4.900     3.000     1.100 peak    36 spectrum    3 weight  0.10000E+01 volume  0.39143E-03 ppm1      6.760 ppm2      3.529 CV     1
 ASSI { 1902}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      4.200     2.200     1.800 peak  1902 spectrum    3 weight  0.10000E+01 volume  0.39304E-03 ppm1      6.945 ppm2      0.810 CV     1
 ASSI { 1903}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.800     2.900     1.200 peak  1903 spectrum    3 weight  0.10000E+01 volume  0.39304E-03 ppm1      7.025 ppm2      5.341 CV     1
 ASSI { 1904}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1904 spectrum    3 weight  0.10000E+01 volume  0.39342E-03 ppm1      7.413 ppm2      3.383 CV     1
 ASSI {  404}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak   404 spectrum    3 weight  0.10000E+01 volume  0.39567E-02 ppm1      8.692 ppm2      4.580 CV     1
 ASSI { 1905}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HE% )
      4.800     2.900     1.200 peak  1905 spectrum    3 weight  0.10000E+01 volume  0.39582E-03 ppm1      8.144 ppm2      6.771 CV     1
 ASSI { 1906}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
      4.900     3.000     1.100 peak  1906 spectrum    3 weight  0.10000E+01 volume  0.39702E-03 ppm1      7.487 ppm2      0.808 CV     1
 OR { 1906}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
 ASSI {  983}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.400     2.400     1.600 peak   983 spectrum    3 weight  0.10000E+01 volume  0.39702E-03 ppm1      6.359 ppm2      6.980 CV     1
 ASSI {   59}
   (( segid "    " and resid 10   and name HE  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.900     1.900     1.900 peak    59 spectrum    3 weight  0.10000E+01 volume  0.59671E-03 ppm1      7.372 ppm2      1.804 CV     1
 OR {   59}
   (( segid "    " and resid 10   and name HE  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  545}
   (( segid "    " and resid 93   and name HE  ))
   (( segid "    " and resid 93   and name HB3 ))
      3.300     1.400     1.400 peak   545 spectrum    3 weight  0.10000E+01 volume  0.79085E-03 ppm1      7.732 ppm2      1.881 CV     1
 ASSI {  546}
   (( segid "    " and resid 93   and name HE  ))
   (( segid "    " and resid 93   and name HG2 ))
      3.500     1.600     1.600 peak   546 spectrum    3 weight  0.10000E+01 volume  0.13629E-02 ppm1      7.732 ppm2      1.775 CV     1
 ASSI {  543}
   (( segid "    " and resid 93   and name HE  ))
   (( segid "    " and resid 93   and name HA  ))
      4.100     2.100     1.900 peak   543 spectrum    3 weight  0.10000E+01 volume  0.38191E-03 ppm1      7.732 ppm2      4.457 CV     1
 ASSI { 1175}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.700     2.800     1.300 peak  1175 spectrum    3 weight  0.10000E+01 volume  0.42645E-03 ppm1      6.985 ppm2      0.905 CV     1
 ASSI { 1244}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      2.900     2.900     3.100 peak  1244 spectrum    3 weight  0.10000E+01 volume  0.50481E-03 ppm1      7.897 ppm2      0.493 CV     1
 ASSI {  250}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
      2.600     0.900     0.900 peak   250 spectrum    3 weight  0.10000E+01 volume  0.52153E-02 ppm1      7.837 ppm2      2.079 CV     1
 OR {  250}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1316}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      4.300     2.300     1.700 peak  1316 spectrum    3 weight  0.10000E+01 volume  0.60545E-03 ppm1      7.677 ppm2      2.055 CV     1
 ASSI { 1319}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 71   and name HE% )
      3.900     3.900     2.100 peak  1319 spectrum    3 weight  0.10000E+01 volume  0.61422E-03 ppm1      9.091 ppm2      7.376 CV     1
 ASSI { 1350}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.900     1.900     1.900 peak  1350 spectrum    3 weight  0.10000E+01 volume  0.65160E-03 ppm1      9.435 ppm2      0.833 CV     1
 ASSI { 1357}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      2.600     2.600     3.400 peak  1357 spectrum    3 weight  0.10000E+01 volume  0.68144E-02 ppm1      8.416 ppm2      1.471 CV     1
 ASSI { 1429}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HZ3 ))
      4.000     2.000     2.000 peak  1429 spectrum    3 weight  0.10000E+01 volume  0.83580E-03 ppm1      7.897 ppm2      7.187 CV     1
 ASSI { 1461}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.300     2.300     1.700 peak  1461 spectrum    3 weight  0.10000E+01 volume  0.90502E-03 ppm1      7.704 ppm2      1.847 CV     1
 ASSI { 1486}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak  1486 spectrum    3 weight  0.10000E+01 volume  0.98578E-03 ppm1      6.941 ppm2      7.709 CV     1
 ASSI { 1491}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.900     1.900     1.900 peak  1491 spectrum    3 weight  0.10000E+01 volume  0.10001E-02 ppm1      6.945 ppm2      1.424 CV     1
 ASSI { 1501}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  1501 spectrum    3 weight  0.10000E+01 volume  0.10335E-02 ppm1      7.730 ppm2      4.968 CV     1
 ASSI { 1644}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      3.500     1.500     1.500 peak  1644 spectrum    3 weight  0.10000E+01 volume  0.19719E-02 ppm1      8.023 ppm2      2.052 CV     1
 ASSI { 1665}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      2.900     1.000     1.000 peak  1665 spectrum    3 weight  0.10000E+01 volume  0.22213E-02 ppm1      7.837 ppm2      0.951 CV     1
 ASSI { 1726}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.300     2.300     1.700 peak  1726 spectrum    3 weight  0.10000E+01 volume  0.26574E-03 ppm1      8.285 ppm2      0.486 CV     1
 ASSI { 1775}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.400     2.400     1.600 peak  1775 spectrum    3 weight  0.10000E+01 volume  0.30234E-03 ppm1     11.408 ppm2      4.170 CV     1
 ASSI { 1782}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      5.100     3.300     0.900 peak  1782 spectrum    3 weight  0.10000E+01 volume  0.30591E-03 ppm1      8.438 ppm2      3.658 CV     1
 ASSI { 1800}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      4.000     2.000     2.000 peak  1800 spectrum    3 weight  0.10000E+01 volume  0.32143E-03 ppm1      8.383 ppm2      0.844 CV     1
 ASSI { 1816}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      5.100     3.200     0.900 peak  1816 spectrum    3 weight  0.10000E+01 volume  0.33178E-03 ppm1      7.258 ppm2      2.441 CV     1
 ASSI { 1826}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HE21))
      4.900     3.000     1.100 peak  1826 spectrum    3 weight  0.10000E+01 volume  0.34131E-03 ppm1      7.154 ppm2      6.718 CV     1
 ASSI { 1948}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      2.600     0.800     0.800 peak  1948 spectrum    3 weight  0.10000E+01 volume  0.37194E-02 ppm1      9.941 ppm2      0.838 CV     1
 ASSI {  571}
   (( segid "    " and resid 97   and name HE21))
   (( segid "    " and resid 97   and name HN  ))
      4.500     2.500     1.500 peak   571 spectrum    3 weight  0.10000E+01 volume  0.40418E-03 ppm1      6.643 ppm2     11.407 CV     1
 ASSI { 1189}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     2.900     3.100 peak  1189 spectrum    3 weight  0.10000E+01 volume  0.44118E-03 ppm1      9.068 ppm2      1.881 CV     1
 ASSI {  677}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HG3 ))
      4.400     2.500     1.600 peak   677 spectrum    3 weight  0.10000E+01 volume  0.44396E-03 ppm1      7.968 ppm2      2.217 CV     1
 OR {  677}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HG2 ))
 ASSI {   97}
   (( segid "    " and resid 15   and name HD21))
   (( segid "    " and resid 15   and name HD22))
      2.300     0.600     0.600 peak    97 spectrum    3 weight  0.10000E+01 volume  0.48014E-02 ppm1      7.360 ppm2      8.674 CV     1
 ASSI {  531}
   (( segid "    " and resid 92   and name HE21))
   (( segid "    " and resid 92   and name HE22))
      1.600     0.300     0.600 peak   531 spectrum    3 weight  0.10000E+01 volume  0.50402E-01 ppm1      6.845 ppm2      7.340 CV     1
 ASSI { 1252}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 71   and name HE% )
      4.500     2.600     1.500 peak  1252 spectrum    3 weight  0.10000E+01 volume  0.51040E-03 ppm1      9.077 ppm2      7.369 CV     1
 ASSI { 1278}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HD2 ))
      3.700     1.700     1.700 peak  1278 spectrum    3 weight  0.10000E+01 volume  0.55018E-03 ppm1      6.267 ppm2      3.156 CV     1
 OR { 1278}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HD3 ))
 ASSI { 1303}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     2.800     3.200 peak  1303 spectrum    3 weight  0.10000E+01 volume  0.58239E-03 ppm1      8.782 ppm2      4.070 CV     1
 ASSI { 1344}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HG3 ))
      3.900     1.900     1.900 peak  1344 spectrum    3 weight  0.10000E+01 volume  0.64923E-03 ppm1      7.413 ppm2      2.279 CV     1
 OR { 1344}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1378}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.800     1.800 peak  1378 spectrum    3 weight  0.10000E+01 volume  0.69696E-03 ppm1      7.787 ppm2      4.406 CV     1
 ASSI {  413}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.700     2.700     3.300 peak   413 spectrum    3 weight  0.10000E+01 volume  0.70930E-03 ppm1      9.052 ppm2      2.567 CV     1
 ASSI {  645}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   645 spectrum    3 weight  0.10000E+01 volume  0.74867E-02 ppm1      7.501 ppm2      4.332 CV     1
 ASSI { 1913}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak  1913 spectrum    3 weight  0.10000E+01 volume  0.76378E-03 ppm1      8.381 ppm2      0.522 CV     1
 ASSI { 1428}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.600     1.700     1.700 peak  1428 spectrum    3 weight  0.10000E+01 volume  0.83022E-03 ppm1      7.502 ppm2      7.727 CV     1
 ASSI { 1435}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.600     2.600     3.400 peak  1435 spectrum    3 weight  0.10000E+01 volume  0.84495E-03 ppm1      6.268 ppm2      1.457 CV     1
 ASSI {  890}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.400     1.400     1.400 peak   890 spectrum    3 weight  0.10000E+01 volume  0.85845E-03 ppm1      9.004 ppm2      2.368 CV     1
 ASSI { 1445}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.300     2.400     1.700 peak  1445 spectrum    3 weight  0.10000E+01 volume  0.86643E-03 ppm1      7.786 ppm2      0.527 CV     1
 ASSI { 1455}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     3.800     2.200 peak  1455 spectrum    3 weight  0.10000E+01 volume  0.88909E-03 ppm1      7.787 ppm2      0.991 CV     1
 ASSI { 1502}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  1502 spectrum    3 weight  0.10000E+01 volume  0.10351E-02 ppm1      9.057 ppm2      9.261 CV     1
 ASSI { 1513}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.500     1.500     1.500 peak  1513 spectrum    3 weight  0.10000E+01 volume  0.10721E-02 ppm1      7.501 ppm2      3.931 CV     1
 ASSI { 1917}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.100     1.200     1.200 peak  1917 spectrum    3 weight  0.10000E+01 volume  0.14552E-02 ppm1      8.677 ppm2      1.814 CV     1
 ASSI { 1603}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak  1603 spectrum    3 weight  0.10000E+01 volume  0.16020E-02 ppm1      8.189 ppm2      4.274 CV     1
 ASSI {  648}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HD3 ))
      3.400     1.400     1.400 peak   648 spectrum    3 weight  0.10000E+01 volume  0.16135E-02 ppm1      7.501 ppm2      1.696 CV     1
 OR {  648}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HD2 ))
 ASSI { 1634}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HD% )
      3.700     1.700     1.700 peak  1634 spectrum    3 weight  0.10000E+01 volume  0.18279E-02 ppm1      7.504 ppm2      7.308 CV     1
 ASSI { 1636}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.200     3.200     2.800 peak  1636 spectrum    3 weight  0.10000E+01 volume  0.18598E-02 ppm1      7.347 ppm2      1.807 CV     1
 ASSI { 1909}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.800     1.800     1.800 peak  1909 spectrum    3 weight  0.10000E+01 volume  0.18641E-02 ppm1      7.940 ppm2      0.517 CV     1
 ASSI { 1647}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.500     1.500     1.500 peak  1647 spectrum    3 weight  0.10000E+01 volume  0.20101E-02 ppm1      7.257 ppm2      3.406 CV     1
 ASSI { 1675}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      2.800     1.000     1.000 peak  1675 spectrum    3 weight  0.10000E+01 volume  0.22946E-02 ppm1      8.687 ppm2      7.248 CV     1
 ASSI { 1177}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      5.100     3.300     0.900 peak  1177 spectrum    3 weight  0.10000E+01 volume  0.27488E-03 ppm1      8.876 ppm2      0.179 CV     1
 ASSI { 1755}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      3.100     3.100     2.900 peak  1755 spectrum    3 weight  0.10000E+01 volume  0.28563E-02 ppm1      8.782 ppm2      3.848 CV     1
 ASSI { 1767}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      4.300     2.400     1.700 peak  1767 spectrum    3 weight  0.10000E+01 volume  0.29398E-03 ppm1      7.501 ppm2      4.477 CV     1
 ASSI { 1769}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      4.700     2.800     1.300 peak  1769 spectrum    3 weight  0.10000E+01 volume  0.29556E-03 ppm1      8.270 ppm2      0.829 CV     1
 ASSI {  180}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   180 spectrum    3 weight  0.10000E+01 volume  0.39024E-03 ppm1      7.040 ppm2      7.993 CV     1
 ASSI { 1205}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      4.100     2.100     1.900 peak  1205 spectrum    3 weight  0.10000E+01 volume  0.45469E-03 ppm1      8.154 ppm2      4.078 CV     1
 ASSI {  254}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.500     0.800     0.800 peak   254 spectrum    3 weight  0.10000E+01 volume  0.58677E-02 ppm1      9.020 ppm2      1.804 CV     1
 OR {  254}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1348}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.700     2.700     3.300 peak  1348 spectrum    3 weight  0.10000E+01 volume  0.65081E-03 ppm1      7.347 ppm2      1.999 CV     1
 ASSI {  256}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HD2 ))
      3.900     1.900     1.900 peak   256 spectrum    3 weight  0.10000E+01 volume  0.69577E-03 ppm1      9.020 ppm2      3.181 CV     1
 OR {  256}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HD3 ))
 ASSI { 1379}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HD2 ))
      3.800     1.800     1.800 peak  1379 spectrum    3 weight  0.10000E+01 volume  0.69816E-03 ppm1      7.788 ppm2      3.177 CV     1
 ASSI { 1450}
   (( segid "    " and resid 67   and name HD21))
   (( segid "    " and resid 68   and name HZ3 ))
      3.400     1.400     1.400 peak  1450 spectrum    3 weight  0.10000E+01 volume  0.87795E-03 ppm1      7.494 ppm2      7.117 CV     1
 ASSI { 1467}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak  1467 spectrum    3 weight  0.10000E+01 volume  0.91972E-03 ppm1      7.236 ppm2      2.346 CV     1
 ASSI { 1569}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HD3 ))
      3.500     1.500     1.500 peak  1569 spectrum    3 weight  0.10000E+01 volume  0.13772E-02 ppm1      7.257 ppm2      3.506 CV     1
 ASSI {  852}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.900     1.000     1.000 peak   852 spectrum    3 weight  0.10000E+01 volume  0.32134E-02 ppm1      7.787 ppm2      1.804 CV     1
 OR {  852}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 1859}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.400     2.400     1.600 peak  1859 spectrum    3 weight  0.10000E+01 volume  0.36361E-03 ppm1      9.052 ppm2      1.628 CV     1
 OR { 1859}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak  1086 spectrum    3 weight  0.10000E+01 volume  0.50759E-02 ppm1      7.742 ppm2      7.520 CV     1
 ASSI {  967}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak   967 spectrum    3 weight  0.10000E+01 volume  0.55851E-02 ppm1      7.897 ppm2      9.068 CV     1
 ASSI { 1304}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.800     1.800     1.800 peak  1304 spectrum    3 weight  0.10000E+01 volume  0.58318E-03 ppm1      7.786 ppm2      6.975 CV     1
 ASSI { 1232}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak  1232 spectrum    3 weight  0.10000E+01 volume  0.66592E-03 ppm1      8.411 ppm2      8.885 CV     1
 ASSI { 1096}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.300     0.700     0.700 peak  1096 spectrum    3 weight  0.10000E+01 volume  0.68501E-02 ppm1      7.501 ppm2      7.224 CV     1
 ASSI { 1401}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.600     1.600     1.600 peak  1401 spectrum    3 weight  0.10000E+01 volume  0.74230E-03 ppm1      7.638 ppm2      7.240 CV     1
 ASSI {  872}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak   872 spectrum    3 weight  0.10000E+01 volume  0.81350E-03 ppm1      9.698 ppm2      8.893 CV     1
 ASSI {  853}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak   853 spectrum    3 weight  0.10000E+01 volume  0.81669E-03 ppm1      7.787 ppm2      8.286 CV     1
 ASSI { 1462}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.600     1.600     1.600 peak  1462 spectrum    3 weight  0.10000E+01 volume  0.83381E-03 ppm1      7.228 ppm2      7.727 CV     1
 ASSI {  736}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.800     1.800 peak   736 spectrum    3 weight  0.10000E+01 volume  0.93883E-03 ppm1      7.729 ppm2      9.335 CV     1
 ASSI { 1527}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak  1527 spectrum    3 weight  0.10000E+01 volume  0.11632E-02 ppm1      9.071 ppm2      7.255 CV     1
 ASSI { 1916}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.100     3.300     0.900 peak  1916 spectrum    3 weight  0.10000E+01 volume  0.12053E-03 ppm1      7.893 ppm2      6.764 CV     1
 ASSI { 1033}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.900     0.900 peak  1033 spectrum    3 weight  0.10000E+01 volume  0.30822E-02 ppm1      7.635 ppm2      7.483 CV     1
 ASSI { 1877}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.300     2.300     1.700 peak  1877 spectrum    3 weight  0.10000E+01 volume  0.32421E-03 ppm1      8.597 ppm2      7.513 CV     1
 ASSI {  948}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.500     1.600 peak   948 spectrum    3 weight  0.10000E+01 volume  0.36361E-03 ppm1      8.431 ppm2      9.941 CV     1
 ASSI { 1861}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.300     2.300     1.700 peak  1861 spectrum    3 weight  0.10000E+01 volume  0.36361E-03 ppm1      8.745 ppm2      7.255 CV     1
 ASSI { 1872}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.200     2.200     1.800 peak  1872 spectrum    3 weight  0.10000E+01 volume  0.37036E-03 ppm1      7.785 ppm2      8.186 CV     1
 ASSI {  925}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   925 spectrum    3 weight  0.10000E+01 volume  0.37606E-02 ppm1      7.651 ppm2      9.091 CV     1
 ASSI {  828}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak   828 spectrum    3 weight  0.10000E+01 volume  0.38600E-02 ppm1      7.493 ppm2      9.087 CV     1
 ASSI { 1893}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.300     2.300     1.700 peak  1893 spectrum    3 weight  0.10000E+01 volume  0.38667E-03 ppm1     11.408 ppm2      7.876 CV     1
 ASSI {  975}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      5.800     4.100     0.200 peak   975 spectrum    3 weight  0.10000E+01 volume  0.10303E-03 ppm1      7.996 ppm2      8.976 CV     1
 ASSI { 2028}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG13))
      3.400     1.500     1.500 peak  2028 spectrum    3 weight  0.10000E+01 volume  0.18574E-02 ppm1      7.899 ppm2      1.567 CV     1
 ASSI { 2034}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak  2034 spectrum    3 weight  0.10000E+01 volume  0.30313E-03 ppm1      8.916 ppm2      9.295 CV     1
 ASSI { 2035}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      4.700     2.700     1.300 peak  2035 spectrum    3 weight  0.10000E+01 volume  0.27807E-03 ppm1      9.333 ppm2      2.858 CV     1
 ASSI { 2037}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     3.500     2.500 peak  2037 spectrum    3 weight  0.10000E+01 volume  0.20646E-02 ppm1      7.171 ppm2      4.724 CV     1
 ASSI { 2041}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 36   and name HB% )
      4.300     2.400     1.700 peak  2041 spectrum    3 weight  0.10000E+01 volume  0.86085E-03 ppm1      7.996 ppm2      1.399 CV     1
 ASSI { 2043}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak  2043 spectrum    3 weight  0.10000E+01 volume  0.47497E-02 ppm1      7.152 ppm2      7.675 CV     1
 ASSI { 2044}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak  2044 spectrum    3 weight  0.10000E+01 volume  0.47538E-02 ppm1      7.152 ppm2      7.727 CV     1
 ASSI { 2046}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.400     1.600 peak  2046 spectrum    3 weight  0.10000E+01 volume  0.50721E-03 ppm1      7.405 ppm2      9.061 CV     1
 ASSI { 2047}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.000     2.000     2.000 peak  2047 spectrum    3 weight  0.10000E+01 volume  0.10785E-02 ppm1      9.076 ppm2      8.869 CV     1
 ASSI { 2049}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      3.200     1.300     1.300 peak  2049 spectrum    3 weight  0.10000E+01 volume  0.17627E-02 ppm1      9.034 ppm2      0.841 CV     1
 ASSI { 2050}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      3.500     3.500     2.500 peak  2050 spectrum    3 weight  0.10000E+01 volume  0.21541E-02 ppm1      9.037 ppm2      1.819 CV     1
 ASSI { 2052}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.300     3.300     2.700 peak  2052 spectrum    3 weight  0.10000E+01 volume  0.19095E-02 ppm1      7.220 ppm2      1.878 CV     1
 ASSI { 2066}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      4.300     2.300     1.700 peak  2066 spectrum    3 weight  0.10000E+01 volume  0.49607E-03 ppm1      7.532 ppm2      0.322 CV     1
 ASSI { 2069}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD3 ))
      2.800     1.000     1.000 peak  2069 spectrum    3 weight  0.10000E+01 volume  0.75943E-02 ppm1      7.530 ppm2      1.692 CV     1
 ASSI { 2070}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.700     0.900     0.900 peak  2070 spectrum    3 weight  0.10000E+01 volume  0.47298E-02 ppm1      7.521 ppm2      1.819 CV     1
 ASSI { 2071}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     0.900     0.900 peak  2071 spectrum    3 weight  0.10000E+01 volume  0.33400E-02 ppm1      7.346 ppm2      4.741 CV     1
 ASSI { 2072}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.100     1.200     1.200 peak  2072 spectrum    3 weight  0.10000E+01 volume  0.39141E-02 ppm1      7.501 ppm2      1.491 CV     1
 OR { 2072}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HG3 ))
 ASSI { 2073}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.100     0.500     0.500 peak  2073 spectrum    3 weight  0.10000E+01 volume  0.14735E-01 ppm1      7.501 ppm2      1.882 CV     1
 OR { 2073}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
 ASSI { 2077}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      3.100     1.200     1.200 peak  2077 spectrum    3 weight  0.10000E+01 volume  0.13919E-02 ppm1      9.072 ppm2      0.689 CV     1
 ASSI { 2078}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HG3 ))
      2.800     2.800     3.200 peak  2078 spectrum    3 weight  0.10000E+01 volume  0.61977E-03 ppm1      8.410 ppm2      1.998 CV     1
 OR { 2078}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HG2 ))
 ASSI { 2084}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HD1 ))
      3.600     1.600     1.600 peak  2084 spectrum    3 weight  0.10000E+01 volume  0.13987E-02 ppm1      7.529 ppm2      7.347 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  17.368  15.627   5.789
    2   2H    MET   1          2H        MET   1  16.225  14.964   4.722
    3   3H    MET   1          3H        MET   1  17.880  14.841   4.378
    4    HA   MET   1           HA       MET   1  17.969  13.640   6.664
    5   1HB   MET   1          2HB       MET   1  15.136  13.182   5.708
    6   2HB   MET   1          3HB       MET   1  15.915  12.324   7.029
    7   1HG   MET   1          2HG       MET   1  16.141  14.444   8.245
    8   2HG   MET   1          3HG       MET   1  15.295  15.264   6.931
    9   1HE   MET   1          1HE       MET   1  12.482  15.550   9.331
   10   2HE   MET   1          2HE       MET   1  14.017  15.298  10.161
   11   3HE   MET   1          3HE       MET   1  13.963  16.253   8.678
   12    H    SER   2           HN       SER   2  16.260  11.198   5.744
   13    HA   SER   2           HA       SER   2  18.312   9.875   4.350
   14   1HB   SER   2          2HB       SER   2  15.375   9.155   4.503
   15   2HB   SER   2          3HB       SER   2  16.693   8.060   4.083
   16    HG   SER   2           HG       SER   2  16.010   9.181   6.569
   17    H    THR   3           HN       THR   3  18.868   9.959   2.302
   18    HA   THR   3           HA       THR   3  17.480  11.600   0.452
   19    HB   THR   3           HB       THR   3  19.929  11.449   0.492
   20    HG1  THR   3           1HG      THR   3  20.198  11.486  -1.715
   21   1HG2  THR   3          1HG2      THR   3  19.373   8.592  -0.001
   22   2HG2  THR   3          2HG2      THR   3  20.707   9.358   0.864
   23   3HG2  THR   3          3HG2      THR   3  20.724   9.287  -0.900
   24    H    THR   4           HN       THR   4  15.646   9.707   1.121
   25    HA   THR   4           HA       THR   4  14.830   8.887  -1.434
   26    HB   THR   4           HB       THR   4  16.383   7.033  -1.172
   27    HG1  THR   4           1HG      THR   4  14.935   5.826  -2.117
   28   1HG2  THR   4          1HG2      THR   4  14.841   5.825   1.065
   29   2HG2  THR   4          2HG2      THR   4  16.005   7.092   1.455
   30   3HG2  THR   4          3HG2      THR   4  16.538   5.632   0.622
   31    H    ILE   5           HN       ILE   5  14.384   8.219   2.063
   32    HA   ILE   5           HA       ILE   5  11.640   7.637   1.918
   33    HB   ILE   5           HB       ILE   5  13.308   8.720   4.177
   34   1HG1  ILE   5          2HG1      ILE   5  11.700   6.183   3.955
   35   2HG1  ILE   5          3HG1      ILE   5  13.380   6.273   3.442
   36   1HG2  ILE   5          1HG2      ILE   5  11.104   8.082   5.485
   37   2HG2  ILE   5          2HG2      ILE   5  11.337   9.700   4.817
   38   3HG2  ILE   5          3HG2      ILE   5  10.345   8.522   3.951
   39   1HD1  ILE   5          1HD1      ILE   5  12.247   6.536   6.201
   40   2HD1  ILE   5          2HD1      ILE   5  13.421   5.365   5.600
   41   3HD1  ILE   5          3HD1      ILE   5  13.887   7.053   5.807
   42    H    GLU   6           HN       GLU   6  13.317  10.751   2.176
   43    HA   GLU   6           HA       GLU   6  11.076  12.353   2.634
   44   1HB   GLU   6          2HB       GLU   6  13.517  13.056   0.991
   45   2HB   GLU   6          3HB       GLU   6  12.398  14.197   1.726
   46   1HG   GLU   6          2HG       GLU   6  13.039  13.342   3.950
   47   2HG   GLU   6          3HG       GLU   6  14.219  12.288   3.172
   48    H    LYS   7           HN       LYS   7  12.504  11.200  -0.382
   49    HA   LYS   7           HA       LYS   7  10.595  12.391  -2.124
   50   1HB   LYS   7          2HB       LYS   7  12.284   9.915  -2.553
   51   2HB   LYS   7          3HB       LYS   7  11.369  10.745  -3.797
   52   1HG   LYS   7          2HG       LYS   7  13.635  11.356  -4.061
   53   2HG   LYS   7          3HG       LYS   7  12.801  12.756  -3.391
   54   1HD   LYS   7          2HD       LYS   7  13.669  12.259  -1.186
   55   2HD   LYS   7          3HD       LYS   7  14.423  10.780  -1.786
   56   1HE   LYS   7          2HE       LYS   7  15.094  13.587  -2.672
   57   2HE   LYS   7          3HE       LYS   7  16.044  12.610  -1.554
   58   1HZ   LYS   7          1HZ       LYS   7  15.766  11.003  -3.734
   59   2HZ   LYS   7          2HZ       LYS   7  17.130  11.937  -3.366
   60   3HZ   LYS   7          3HZ       LYS   7  15.952  12.541  -4.423
   61    H    ILE   8           HN       ILE   8  10.931   9.175  -0.654
   62    HA   ILE   8           HA       ILE   8   8.739   7.961  -1.828
   63    HB   ILE   8           HB       ILE   8  10.078   7.448   0.828
   64   1HG1  ILE   8          2HG1      ILE   8  10.164   5.980  -1.813
   65   2HG1  ILE   8          3HG1      ILE   8  11.384   7.123  -1.262
   66   1HG2  ILE   8          1HG2      ILE   8   7.544   6.532   0.006
   67   2HG2  ILE   8          2HG2      ILE   8   8.666   5.176  -0.128
   68   3HG2  ILE   8          3HG2      ILE   8   8.494   6.034   1.406
   69   1HD1  ILE   8          1HD1      ILE   8  10.882   5.051   0.690
   70   2HD1  ILE   8          2HD1      ILE   8  11.378   4.397  -0.871
   71   3HD1  ILE   8          3HD1      ILE   8  12.397   5.576  -0.045
   72    H    GLN   9           HN       GLN   9   8.857   9.807   1.220
   73    HA   GLN   9           HA       GLN   9   6.170   9.343   1.891
   74   1HB   GLN   9          2HB       GLN   9   8.087  11.520   2.670
   75   2HB   GLN   9          3HB       GLN   9   6.424  11.515   3.243
   76   1HG   GLN   9          2HG       GLN   9   6.818   9.305   4.250
   77   2HG   GLN   9          3HG       GLN   9   8.499   9.389   3.722
   78   1HE2  GLN   9          1HE2      GLN   9   9.741   9.783   5.396
   79   2HE2  GLN   9          2HE2      GLN   9   9.437  10.939   6.645
   80    H    ARG  10           HN       ARG  10   7.672  11.839  -0.066
   81    HA   ARG  10           HA       ARG  10   5.334  13.362  -0.535
   82   1HB   ARG  10          2HB       ARG  10   7.751  12.932  -2.298
   83   2HB   ARG  10          3HB       ARG  10   6.512  14.144  -2.575
   84   1HG   ARG  10          2HG       ARG  10   8.318  14.023  -0.167
   85   2HG   ARG  10          3HG       ARG  10   8.545  15.071  -1.566
   86   1HD   ARG  10          2HD       ARG  10   7.532  16.372   0.155
   87   2HD   ARG  10          3HD       ARG  10   6.313  16.077  -1.080
   88    HE   ARG  10           HE       ARG  10   6.120  14.110   0.934
   89   1HH1  ARG  10          2HH1      ARG  10   5.502  17.508   0.377
   90   2HH1  ARG  10          1HH1      ARG  10   4.251  17.612   1.584
   91   1HH2  ARG  10          2HH2      ARG  10   4.494  14.242   2.548
   92   2HH2  ARG  10          1HH2      ARG  10   3.673  15.752   2.809
   93    H    GLN  11           HN       GLN  11   6.666  10.450  -1.965
   94    HA   GLN  11           HA       GLN  11   4.817  10.333  -4.143
   95   1HB   GLN  11          2HB       GLN  11   6.571   8.190  -2.938
   96   2HB   GLN  11          3HB       GLN  11   5.619   7.989  -4.403
   97   1HG   GLN  11          2HG       GLN  11   6.886   9.798  -5.463
   98   2HG   GLN  11          3HG       GLN  11   7.852   9.965  -3.997
   99   1HE2  GLN  11          1HE2      GLN  11   9.756   9.043  -4.146
  100   2HE2  GLN  11          2HE2      GLN  11  10.140   7.608  -5.033
  101    H    ILE  12           HN       ILE  12   4.970   8.745  -0.968
  102    HA   ILE  12           HA       ILE  12   2.698   7.135  -1.374
  103    HB   ILE  12           HB       ILE  12   3.678   8.222   1.274
  104   1HG1  ILE  12          2HG1      ILE  12   4.455   5.732  -0.258
  105   2HG1  ILE  12          3HG1      ILE  12   5.500   7.086   0.167
  106   1HG2  ILE  12          1HG2      ILE  12   1.391   7.223   1.215
  107   2HG2  ILE  12          2HG2      ILE  12   2.132   5.705   0.699
  108   3HG2  ILE  12          3HG2      ILE  12   2.529   6.387   2.275
  109   1HD1  ILE  12          1HD1      ILE  12   4.749   6.408   2.608
  110   2HD1  ILE  12          2HD1      ILE  12   4.546   4.841   1.825
  111   3HD1  ILE  12          3HD1      ILE  12   6.115   5.647   1.787
  112    H    ALA  13           HN       ALA  13   3.099  10.329   0.025
  113    HA   ALA  13           HA       ALA  13   0.446  10.758   0.813
  114   1HB   ALA  13          1HB       ALA  13   2.167  13.017  -0.118
  115   2HB   ALA  13          2HB       ALA  13   1.044  12.947   1.240
  116   3HB   ALA  13          3HB       ALA  13   2.596  12.113   1.334
  117    H    GLU  14           HN       GLU  14   2.075  11.429  -2.282
  118    HA   GLU  14           HA       GLU  14  -0.111  12.855  -3.360
  119   1HB   GLU  14          2HB       GLU  14   0.974  12.670  -5.533
  120   2HB   GLU  14          3HB       GLU  14   2.106  13.166  -4.285
  121   1HG   GLU  14          2HG       GLU  14   2.998  10.942  -4.166
  122   2HG   GLU  14          3HG       GLU  14   1.823  10.371  -5.344
  123    H    ASN  15           HN       ASN  15   0.754   9.430  -3.475
  124    HA   ASN  15           HA       ASN  15  -1.288   8.827  -5.401
  125   1HB   ASN  15          2HB       ASN  15   0.389   7.033  -3.639
  126   2HB   ASN  15          3HB       ASN  15  -0.786   6.431  -4.803
  127   1HD2  ASN  15          1HD2      ASN  15   2.385   6.982  -4.371
  128   2HD2  ASN  15          2HD2      ASN  15   2.885   7.219  -6.011
  129    HA   PRO  16           HA       PRO  16  -4.738   9.065  -2.723
  130   1HB   PRO  16          2HB       PRO  16  -5.921   7.281  -4.785
  131   2HB   PRO  16          3HB       PRO  16  -6.505   8.835  -4.181
  132   1HG   PRO  16          2HG       PRO  16  -5.398   8.664  -6.584
  133   2HG   PRO  16          3HG       PRO  16  -5.043  10.045  -5.527
  134   1HD   PRO  16          2HD       PRO  16  -3.373   7.638  -6.123
  135   2HD   PRO  16          3HD       PRO  16  -2.884   9.333  -5.938
  136    H    ILE  17           HN       ILE  17  -3.969   5.973  -4.206
  137    HA   ILE  17           HA       ILE  17  -4.548   4.621  -1.654
  138    HB   ILE  17           HB       ILE  17  -5.318   3.482  -4.359
  139   1HG1  ILE  17          2HG1      ILE  17  -6.750   5.448  -3.906
  140   2HG1  ILE  17          3HG1      ILE  17  -7.663   3.942  -3.857
  141   1HG2  ILE  17          1HG2      ILE  17  -6.722   1.977  -2.887
  142   2HG2  ILE  17          2HG2      ILE  17  -4.973   1.756  -2.807
  143   3HG2  ILE  17          3HG2      ILE  17  -5.806   2.632  -1.521
  144   1HD1  ILE  17          1HD1      ILE  17  -8.474   4.648  -1.910
  145   2HD1  ILE  17          2HD1      ILE  17  -6.869   4.396  -1.222
  146   3HD1  ILE  17          3HD1      ILE  17  -7.322   5.989  -1.841
  147    H    LEU  18           HN       LEU  18  -2.645   3.594  -1.110
  148    HA   LEU  18           HA       LEU  18  -0.955   2.774  -3.376
  149   1HB   LEU  18          2HB       LEU  18  -0.359   4.971  -2.275
  150   2HB   LEU  18          3HB       LEU  18   0.062   4.046  -0.849
  151    HG   LEU  18           HG       LEU  18   1.804   2.876  -2.089
  152   1HD1  LEU  18          1HD1      LEU  18   1.635   2.697  -4.300
  153   2HD1  LEU  18          2HD1      LEU  18   0.368   3.922  -4.353
  154   3HD1  LEU  18          3HD1      LEU  18   2.063   4.403  -4.423
  155   1HD2  LEU  18          1HD2      LEU  18   2.063   5.827  -2.629
  156   2HD2  LEU  18          2HD2      LEU  18   2.150   5.152  -1.003
  157   3HD2  LEU  18          3HD2      LEU  18   3.333   4.674  -2.220
  158    H    LEU  19           HN       LEU  19   0.189   0.990  -3.193
  159    HA   LEU  19           HA       LEU  19   0.041  -0.575  -0.714
  160   1HB   LEU  19          2HB       LEU  19  -1.696  -1.505  -1.953
  161   2HB   LEU  19          3HB       LEU  19  -0.875  -1.250  -3.479
  162    HG   LEU  19           HG       LEU  19   0.693  -3.064  -2.940
  163   1HD1  LEU  19          1HD1      LEU  19  -0.339  -2.772  -0.323
  164   2HD1  LEU  19          2HD1      LEU  19  -0.835  -4.366  -0.893
  165   3HD1  LEU  19          3HD1      LEU  19   0.872  -3.923  -0.891
  166   1HD2  LEU  19          1HD2      LEU  19  -2.209  -3.852  -2.765
  167   2HD2  LEU  19          2HD2      LEU  19  -1.327  -3.454  -4.243
  168   3HD2  LEU  19          3HD2      LEU  19  -0.871  -4.874  -3.298
  169    H    TYR  20           HN       TYR  20   2.033  -1.259  -0.157
  170    HA   TYR  20           HA       TYR  20   4.039  -1.330  -2.289
  171   1HB   TYR  20          2HB       TYR  20   4.262  -1.114   0.690
  172   2HB   TYR  20          3HB       TYR  20   5.642  -1.584  -0.302
  173    HD1  TYR  20           1HD      TYR  20   2.961   1.053  -0.548
  174    HD2  TYR  20           2HD      TYR  20   7.107   0.110  -0.661
  175    HE1  TYR  20           1HE      TYR  20   3.483   3.396  -1.047
  176    HE2  TYR  20           2HE      TYR  20   7.637   2.454  -1.148
  177    HH   TYR  20           HH       TYR  20   6.169   4.822  -0.612
  178    H    MET  21           HN       MET  21   4.500  -3.164  -3.181
  179    HA   MET  21           HA       MET  21   4.814  -5.532  -1.549
  180   1HB   MET  21          2HB       MET  21   3.508  -6.884  -3.206
  181   2HB   MET  21          3HB       MET  21   2.550  -5.827  -2.188
  182   1HG   MET  21          2HG       MET  21   2.438  -4.216  -4.052
  183   2HG   MET  21          3HG       MET  21   3.301  -5.378  -5.067
  184   1HE   MET  21          1HE       MET  21   0.608  -5.895  -6.944
  185   2HE   MET  21          2HE       MET  21  -0.458  -4.871  -5.982
  186   3HE   MET  21          3HE       MET  21   1.212  -4.380  -6.272
  187    H    LYS  22           HN       LYS  22   5.276  -7.387  -3.650
  188    HA   LYS  22           HA       LYS  22   7.694  -6.159  -4.777
  189   1HB   LYS  22          2HB       LYS  22   8.000  -8.238  -3.461
  190   2HB   LYS  22          3HB       LYS  22   6.982  -9.093  -4.614
  191   1HG   LYS  22          2HG       LYS  22   8.574  -8.705  -6.381
  192   2HG   LYS  22          3HG       LYS  22   9.566  -7.714  -5.311
  193   1HD   LYS  22          2HD       LYS  22   9.953  -9.668  -3.878
  194   2HD   LYS  22          3HD       LYS  22   8.982 -10.654  -4.974
  195   1HE   LYS  22          2HE       LYS  22  10.555 -10.203  -6.783
  196   2HE   LYS  22          3HE       LYS  22  11.516  -9.193  -5.704
  197   1HZ   LYS  22          1HZ       LYS  22  11.438 -12.058  -5.951
  198   2HZ   LYS  22          2HZ       LYS  22  11.337 -11.520  -4.345
  199   3HZ   LYS  22          3HZ       LYS  22  12.647 -11.053  -5.311
  200    H    GLY  23           HN       GLY  23   7.640  -5.517  -6.777
  201   1HA   GLY  23          1HA       GLY  23   5.493  -6.506  -8.500
  202   2HA   GLY  23          2HA       GLY  23   6.468  -5.066  -8.783
  203    H    SER  24           HN       SER  24   6.767  -8.621  -8.612
  204    HA   SER  24           HA       SER  24   9.015  -8.586 -10.440
  205   1HB   SER  24          2HB       SER  24   7.347 -10.891  -9.398
  206   2HB   SER  24          3HB       SER  24   8.836 -11.050 -10.330
  207    HG   SER  24           HG       SER  24   9.969 -10.085  -8.653
  208    HA   PRO  25           HA       PRO  25   6.703  -8.298 -14.191
  209   1HB   PRO  25          2HB       PRO  25   8.643 -10.324 -15.215
  210   2HB   PRO  25          3HB       PRO  25   8.177  -8.764 -15.906
  211   1HG   PRO  25          2HG       PRO  25  10.513  -9.032 -14.674
  212   2HG   PRO  25          3HG       PRO  25   9.540  -7.565 -14.450
  213   1HD   PRO  25          2HD       PRO  25   9.931  -9.884 -12.602
  214   2HD   PRO  25          3HD       PRO  25   9.776  -8.155 -12.228
  215    H    LYS  26           HN       LYS  26   7.744 -11.543 -13.193
  216    HA   LYS  26           HA       LYS  26   5.681 -12.968 -14.522
  217   1HB   LYS  26          2HB       LYS  26   6.269 -14.831 -12.971
  218   2HB   LYS  26          3HB       LYS  26   7.638 -14.174 -13.854
  219   1HG   LYS  26          2HG       LYS  26   8.382 -12.973 -11.909
  220   2HG   LYS  26          3HG       LYS  26   6.941 -13.456 -11.014
  221   1HD   LYS  26          2HD       LYS  26   8.912 -14.803 -10.407
  222   2HD   LYS  26          3HD       LYS  26   7.624 -15.782 -11.108
  223   1HE   LYS  26          2HE       LYS  26   9.796 -16.450 -11.982
  224   2HE   LYS  26          3HE       LYS  26   8.785 -15.778 -13.258
  225   1HZ   LYS  26          1HZ       LYS  26  10.280 -14.217 -13.660
  226   2HZ   LYS  26          2HZ       LYS  26  11.342 -15.020 -12.612
  227   3HZ   LYS  26          3HZ       LYS  26  10.370 -13.761 -12.028
  228    H    LEU  27           HN       LEU  27   5.888 -11.456 -11.346
  229    HA   LEU  27           HA       LEU  27   3.002 -11.725 -11.006
  230   1HB   LEU  27          2HB       LEU  27   4.355 -13.770 -10.065
  231   2HB   LEU  27          3HB       LEU  27   4.826 -12.641  -8.805
  232    HG   LEU  27           HG       LEU  27   1.988 -13.498  -9.431
  233   1HD1  LEU  27          1HD1      LEU  27   3.294 -14.116  -6.851
  234   2HD1  LEU  27          2HD1      LEU  27   2.116 -15.040  -7.783
  235   3HD1  LEU  27          3HD1      LEU  27   3.814 -15.042  -8.258
  236   1HD2  LEU  27          1HD2      LEU  27   1.252 -12.248  -7.596
  237   2HD2  LEU  27          2HD2      LEU  27   2.892 -11.978  -7.005
  238   3HD2  LEU  27          3HD2      LEU  27   2.335 -11.160  -8.466
  239    HA   PRO  28           HA       PRO  28   4.404  -7.694  -9.516
  240   1HB   PRO  28          2HB       PRO  28   1.944  -6.564  -9.452
  241   2HB   PRO  28          3HB       PRO  28   2.901  -6.707 -10.920
  242   1HG   PRO  28          2HG       PRO  28   0.587  -8.314  -9.966
  243   2HG   PRO  28          3HG       PRO  28   1.026  -7.838 -11.616
  244   1HD   PRO  28          2HD       PRO  28   1.463 -10.316 -10.562
  245   2HD   PRO  28          3HD       PRO  28   2.410  -9.618 -11.883
  246    H    SER  29           HN       SER  29   3.765  -9.906  -7.644
  247    HA   SER  29           HA       SER  29   3.612  -8.305  -5.313
  248   1HB   SER  29          2HB       SER  29   1.200  -8.520  -5.998
  249   2HB   SER  29          3HB       SER  29   1.334 -10.239  -5.656
  250    HG   SER  29           HG       SER  29   0.930  -8.211  -3.967
  251    H    CYS  30           HN       CYS  30   5.529  -9.961  -6.248
  252    HA   CYS  30           HA       CYS  30   5.312 -12.648  -5.426
  253   1HB   CYS  30          2HB       CYS  30   6.843 -11.791  -7.191
  254   2HB   CYS  30          3HB       CYS  30   7.815 -11.078  -5.911
  255    HG   CYS  30           HG       CYS  30   8.638 -13.455  -4.791
  256    H    GLY  31           HN       GLY  31   4.502 -11.973  -3.206
  257   1HA   GLY  31          1HA       GLY  31   6.503 -12.689  -1.314
  258   2HA   GLY  31          2HA       GLY  31   6.086 -10.987  -1.154
  259    H    PHE  32           HN       PHE  32   5.006 -11.035   0.782
  260    HA   PHE  32           HA       PHE  32   2.956 -12.998   1.288
  261   1HB   PHE  32          2HB       PHE  32   3.811 -10.533   2.778
  262   2HB   PHE  32          3HB       PHE  32   2.399 -11.464   3.242
  263    HD1  PHE  32           1HD      PHE  32   6.030 -11.853   2.574
  264    HD2  PHE  32           2HD      PHE  32   2.588 -13.204   4.677
  265    HE1  PHE  32           1HE      PHE  32   7.441 -13.413   3.860
  266    HE2  PHE  32           2HE      PHE  32   3.994 -14.758   5.987
  267    HZ   PHE  32           HZ       PHE  32   6.421 -14.862   5.573
  268    H    SER  33           HN       SER  33   3.174  -9.753   0.148
  269    HA   SER  33           HA       SER  33   0.626  -8.804   0.379
  270   1HB   SER  33          2HB       SER  33   1.220  -7.544  -1.745
  271   2HB   SER  33          3HB       SER  33   2.353  -7.407  -0.395
  272    HG   SER  33           HG       SER  33   2.584  -8.917  -2.777
  273    H    ALA  34           HN       ALA  34   1.695 -11.406  -1.597
  274    HA   ALA  34           HA       ALA  34   0.017 -11.448  -3.745
  275   1HB   ALA  34          1HB       ALA  34   1.829 -13.139  -2.863
  276   2HB   ALA  34          2HB       ALA  34   0.408 -14.003  -2.277
  277   3HB   ALA  34          3HB       ALA  34   0.577 -13.646  -3.997
  278    H    GLN  35           HN       GLN  35  -0.829 -12.517  -0.410
  279    HA   GLN  35           HA       GLN  35  -3.461 -13.245  -1.356
  280   1HB   GLN  35          2HB       GLN  35  -3.931 -14.156   0.714
  281   2HB   GLN  35          3HB       GLN  35  -2.184 -14.328   0.655
  282   1HG   GLN  35          2HG       GLN  35  -3.546 -12.050   2.047
  283   2HG   GLN  35          3HG       GLN  35  -3.170 -13.579   2.831
  284   1HE2  GLN  35          1HE2      GLN  35  -2.134 -10.535   2.255
  285   2HE2  GLN  35          2HE2      GLN  35  -0.449 -10.738   2.592
  286    H    ALA  36           HN       ALA  36  -1.980 -10.533   0.254
  287    HA   ALA  36           HA       ALA  36  -4.341  -9.235   1.101
  288   1HB   ALA  36          1HB       ALA  36  -1.746  -7.849   0.514
  289   2HB   ALA  36          2HB       ALA  36  -2.971  -7.437   1.715
  290   3HB   ALA  36          3HB       ALA  36  -1.973  -8.877   1.930
  291    H    VAL  37           HN       VAL  37  -2.335  -8.845  -1.782
  292    HA   VAL  37           HA       VAL  37  -3.470  -6.566  -2.865
  293    HB   VAL  37           HB       VAL  37  -1.470  -7.623  -3.789
  294   1HG1  VAL  37          1HG1      VAL  37  -3.257  -9.712  -5.009
  295   2HG1  VAL  37          2HG1      VAL  37  -1.500  -9.597  -5.120
  296   3HG1  VAL  37          3HG1      VAL  37  -2.263  -9.971  -3.575
  297   1HG2  VAL  37          1HG2      VAL  37  -1.785  -6.914  -5.938
  298   2HG2  VAL  37          2HG2      VAL  37  -3.349  -7.719  -6.090
  299   3HG2  VAL  37          3HG2      VAL  37  -3.214  -6.211  -5.181
  300    H    GLN  38           HN       GLN  38  -4.590  -9.880  -2.998
  301    HA   GLN  38           HA       GLN  38  -6.654  -9.542  -4.880
  302   1HB   GLN  38          2HB       GLN  38  -6.841 -11.464  -2.571
  303   2HB   GLN  38          3HB       GLN  38  -7.417 -11.671  -4.217
  304   1HG   GLN  38          2HG       GLN  38  -4.546 -11.700  -3.304
  305   2HG   GLN  38          3HG       GLN  38  -5.518 -13.096  -3.763
  306   1HE2  GLN  38          1HE2      GLN  38  -6.460 -10.823  -5.901
  307   2HE2  GLN  38          2HE2      GLN  38  -5.311 -11.084  -7.160
  308    H    ALA  39           HN       ALA  39  -6.596  -9.371  -1.352
  309    HA   ALA  39           HA       ALA  39  -9.316  -8.928  -0.902
  310   1HB   ALA  39          1HB       ALA  39  -8.050  -9.535   0.965
  311   2HB   ALA  39          2HB       ALA  39  -6.859  -8.265   0.684
  312   3HB   ALA  39          3HB       ALA  39  -8.476  -7.848   1.261
  313    H    LEU  40           HN       LEU  40  -6.672  -6.621  -1.364
  314    HA   LEU  40           HA       LEU  40  -8.064  -4.276  -0.765
  315   1HB   LEU  40          2HB       LEU  40  -5.549  -4.859  -1.475
  316   2HB   LEU  40          3HB       LEU  40  -6.126  -4.256  -3.006
  317    HG   LEU  40           HG       LEU  40  -5.907  -2.752  -0.408
  318   1HD1  LEU  40          1HD1      LEU  40  -3.999  -2.021  -1.240
  319   2HD1  LEU  40          2HD1      LEU  40  -4.213  -3.075  -2.638
  320   3HD1  LEU  40          3HD1      LEU  40  -4.824  -1.417  -2.679
  321   1HD2  LEU  40          1HD2      LEU  40  -7.779  -2.300  -2.567
  322   2HD2  LEU  40          2HD2      LEU  40  -7.661  -1.516  -0.990
  323   3HD2  LEU  40          3HD2      LEU  40  -6.692  -0.929  -2.346
  324    H    ALA  41           HN       ALA  41  -7.341  -5.696  -3.919
  325    HA   ALA  41           HA       ALA  41  -8.884  -3.951  -5.471
  326   1HB   ALA  41          1HB       ALA  41  -7.165  -5.280  -6.483
  327   2HB   ALA  41          2HB       ALA  41  -7.968  -6.774  -6.002
  328   3HB   ALA  41          3HB       ALA  41  -8.708  -5.725  -7.211
  329    H    ALA  42           HN       ALA  42  -9.643  -6.819  -3.679
  330    HA   ALA  42           HA       ALA  42 -12.186  -7.299  -4.925
  331   1HB   ALA  42          1HB       ALA  42 -10.694  -8.890  -3.479
  332   2HB   ALA  42          2HB       ALA  42 -11.626  -8.214  -2.144
  333   3HB   ALA  42          3HB       ALA  42 -12.450  -9.048  -3.461
  334    H    CYS  43           HN       CYS  43 -11.197  -5.789  -1.873
  335    HA   CYS  43           HA       CYS  43 -13.812  -5.100  -1.064
  336   1HB   CYS  43          2HB       CYS  43 -11.071  -4.535  -0.187
  337   2HB   CYS  43          3HB       CYS  43 -12.277  -3.356   0.290
  338    HG   CYS  43           HG       CYS  43 -13.603  -6.182   0.973
  339    H    GLY  44           HN       GLY  44 -11.194  -2.986  -2.320
  340   1HA   GLY  44          1HA       GLY  44 -13.253  -0.949  -2.770
  341   2HA   GLY  44          2HA       GLY  44 -11.525  -0.660  -2.682
  342    H    GLU  45           HN       GLU  45 -11.429   0.475  -4.536
  343    HA   GLU  45           HA       GLU  45 -12.003  -0.939  -7.034
  344   1HB   GLU  45          2HB       GLU  45 -11.596   1.976  -6.417
  345   2HB   GLU  45          3HB       GLU  45 -11.442   1.360  -8.056
  346   1HG   GLU  45          2HG       GLU  45 -13.894   1.043  -6.344
  347   2HG   GLU  45          3HG       GLU  45 -13.660   2.322  -7.535
  348    H    ARG  46           HN       ARG  46 -10.171   0.750  -8.467
  349    HA   ARG  46           HA       ARG  46  -7.854  -0.839  -8.298
  350   1HB   ARG  46          2HB       ARG  46  -6.954   0.919  -9.971
  351   2HB   ARG  46          3HB       ARG  46  -8.218  -0.198 -10.462
  352   1HG   ARG  46          2HG       ARG  46  -8.660   2.050 -11.232
  353   2HG   ARG  46          3HG       ARG  46  -9.888   1.495 -10.098
  354   1HD   ARG  46          2HD       ARG  46  -8.799   2.766  -8.316
  355   2HD   ARG  46          3HD       ARG  46  -7.593   3.341  -9.467
  356    HE   ARG  46           HE       ARG  46 -10.210   4.389  -9.078
  357   1HH1  ARG  46          2HH1      ARG  46  -7.755   3.873 -11.547
  358   2HH1  ARG  46          1HH1      ARG  46  -8.443   5.053 -12.627
  359   1HH2  ARG  46          2HH2      ARG  46 -11.081   5.919 -10.484
  360   2HH2  ARG  46          1HH2      ARG  46 -10.346   6.192 -12.039
  361    H    PHE  47           HN       PHE  47  -5.740  -0.168  -7.961
  362    HA   PHE  47           HA       PHE  47  -5.398   2.100  -6.144
  363   1HB   PHE  47          2HB       PHE  47  -4.380   0.630  -4.456
  364   2HB   PHE  47          3HB       PHE  47  -6.052   0.181  -4.764
  365    HD1  PHE  47           1HD      PHE  47  -6.595  -2.012  -5.241
  366    HD2  PHE  47           2HD      PHE  47  -2.559  -0.727  -5.709
  367    HE1  PHE  47           1HE      PHE  47  -5.891  -4.348  -5.594
  368    HE2  PHE  47           2HE      PHE  47  -1.860  -3.054  -6.079
  369    HZ   PHE  47           HZ       PHE  47  -3.526  -4.864  -6.027
  370    H    ALA  48           HN       ALA  48  -3.140   2.529  -5.682
  371    HA   ALA  48           HA       ALA  48  -1.413   1.707  -7.902
  372   1HB   ALA  48          1HB       ALA  48   0.081   3.557  -6.769
  373   2HB   ALA  48          2HB       ALA  48  -1.212   3.981  -7.890
  374   3HB   ALA  48          3HB       ALA  48  -1.477   4.106  -6.150
  375    H    TYR  49           HN       TYR  49   0.598   0.802  -7.495
  376    HA   TYR  49           HA       TYR  49   1.067  -0.052  -4.715
  377   1HB   TYR  49          2HB       TYR  49   1.140  -2.313  -5.270
  378   2HB   TYR  49          3HB       TYR  49  -0.186  -1.751  -6.277
  379    HD1  TYR  49           1HD      TYR  49  -0.109  -2.101  -8.616
  380    HD2  TYR  49           2HD      TYR  49   3.410  -2.504  -6.279
  381    HE1  TYR  49           1HE      TYR  49   1.071  -3.063 -10.560
  382    HE2  TYR  49           2HE      TYR  49   4.612  -3.413  -8.196
  383    HH   TYR  49           HH       TYR  49   4.285  -3.214 -10.856
  384    H    VAL  50           HN       VAL  50   3.274  -0.493  -4.285
  385    HA   VAL  50           HA       VAL  50   5.134   0.335  -6.419
  386    HB   VAL  50           HB       VAL  50   5.445   0.853  -3.442
  387   1HG1  VAL  50          1HG1      VAL  50   7.168   1.518  -5.814
  388   2HG1  VAL  50          2HG1      VAL  50   7.304   2.370  -4.276
  389   3HG1  VAL  50          3HG1      VAL  50   7.601   0.633  -4.349
  390   1HG2  VAL  50          1HG2      VAL  50   4.531   2.622  -5.689
  391   2HG2  VAL  50          2HG2      VAL  50   3.786   2.347  -4.114
  392   3HG2  VAL  50          3HG2      VAL  50   5.271   3.288  -4.234
  393    H    ASP  51           HN       ASP  51   6.761  -1.000  -6.839
  394    HA   ASP  51           HA       ASP  51   6.954  -3.496  -5.432
  395   1HB   ASP  51          2HB       ASP  51   8.839  -3.962  -6.980
  396   2HB   ASP  51          3HB       ASP  51   7.348  -3.540  -7.808
  397    H    ILE  52           HN       ILE  52   8.264  -3.997  -3.841
  398    HA   ILE  52           HA       ILE  52  10.537  -2.311  -3.228
  399    HB   ILE  52           HB       ILE  52   9.638  -2.435  -0.731
  400   1HG1  ILE  52          2HG1      ILE  52   7.223  -1.688  -0.825
  401   2HG1  ILE  52          3HG1      ILE  52   7.201  -2.289  -2.479
  402   1HG2  ILE  52          1HG2      ILE  52   9.917  -0.275  -0.957
  403   2HG2  ILE  52          2HG2      ILE  52  10.010  -0.509  -2.709
  404   3HG2  ILE  52          3HG2      ILE  52   8.460  -0.141  -1.946
  405   1HD1  ILE  52          1HD1      ILE  52   8.214  -4.280  -0.676
  406   2HD1  ILE  52          2HD1      ILE  52   6.626  -3.695  -0.173
  407   3HD1  ILE  52          3HD1      ILE  52   6.851  -4.349  -1.796
  408    H    LEU  53           HN       LEU  53   8.806  -5.325  -2.585
  409    HA   LEU  53           HA       LEU  53  10.929  -6.446  -1.033
  410   1HB   LEU  53          2HB       LEU  53   8.892  -7.904  -2.731
  411   2HB   LEU  53          3HB       LEU  53  10.038  -8.675  -1.662
  412    HG   LEU  53           HG       LEU  53   8.347  -8.690  -0.205
  413   1HD1  LEU  53          1HD1      LEU  53   9.801  -7.086   0.823
  414   2HD1  LEU  53          2HD1      LEU  53   9.006  -5.770  -0.045
  415   3HD1  LEU  53          3HD1      LEU  53   8.119  -6.684   1.177
  416   1HD2  LEU  53          1HD2      LEU  53   7.054  -6.413  -1.692
  417   2HD2  LEU  53          2HD2      LEU  53   6.683  -8.128  -1.872
  418   3HD2  LEU  53          3HD2      LEU  53   6.332  -7.302  -0.352
  419    H    GLN  54           HN       GLN  54  10.666  -5.474  -4.210
  420    HA   GLN  54           HA       GLN  54  12.748  -7.270  -5.175
  421   1HB   GLN  54          2HB       GLN  54  10.797  -7.000  -6.619
  422   2HB   GLN  54          3HB       GLN  54  11.026  -5.259  -6.643
  423   1HG   GLN  54          2HG       GLN  54  13.188  -7.061  -7.643
  424   2HG   GLN  54          3HG       GLN  54  11.794  -6.703  -8.657
  425   1HE2  GLN  54          1HE2      GLN  54  11.778  -3.984  -7.194
  426   2HE2  GLN  54          2HE2      GLN  54  12.966  -3.063  -8.037
  427    H    ASN  55           HN       ASN  55  12.161  -3.746  -4.756
  428    HA   ASN  55           HA       ASN  55  14.849  -3.049  -5.541
  429   1HB   ASN  55          2HB       ASN  55  12.715  -1.410  -4.148
  430   2HB   ASN  55          3HB       ASN  55  14.258  -0.775  -4.707
  431   1HD2  ASN  55          1HD2      ASN  55  11.110  -0.914  -5.446
  432   2HD2  ASN  55          2HD2      ASN  55  11.187  -0.838  -7.176
  433    HA   PRO  56           HA       PRO  56  16.580  -4.332  -1.648
  434   1HB   PRO  56          2HB       PRO  56  18.881  -2.816  -2.763
  435   2HB   PRO  56          3HB       PRO  56  18.837  -4.449  -2.089
  436   1HG   PRO  56          2HG       PRO  56  19.005  -4.104  -4.694
  437   2HG   PRO  56          3HG       PRO  56  17.906  -5.337  -4.040
  438   1HD   PRO  56          2HD       PRO  56  17.268  -2.588  -5.065
  439   2HD   PRO  56          3HD       PRO  56  16.426  -4.120  -5.338
  440    H    ASP  57           HN       ASP  57  17.240  -1.048  -2.870
  441    HA   ASP  57           HA       ASP  57  17.993  -0.002  -0.345
  442   1HB   ASP  57          2HB       ASP  57  16.970   1.511  -2.760
  443   2HB   ASP  57          3HB       ASP  57  17.820   2.216  -1.393
  444    H    ILE  58           HN       ILE  58  15.074   0.483  -2.247
  445    HA   ILE  58           HA       ILE  58  13.706   2.053  -0.380
  446    HB   ILE  58           HB       ILE  58  12.456   0.278  -2.488
  447   1HG1  ILE  58          2HG1      ILE  58  13.553   3.091  -2.756
  448   2HG1  ILE  58          3HG1      ILE  58  14.279   1.645  -3.449
  449   1HG2  ILE  58          1HG2      ILE  58  11.451   2.977  -1.753
  450   2HG2  ILE  58          2HG2      ILE  58  10.568   1.553  -2.307
  451   3HG2  ILE  58          3HG2      ILE  58  11.145   1.642  -0.642
  452   1HD1  ILE  58          1HD1      ILE  58  12.875   1.636  -5.189
  453   2HD1  ILE  58          2HD1      ILE  58  11.481   2.060  -4.196
  454   3HD1  ILE  58          3HD1      ILE  58  12.585   3.320  -4.749
  455    H    ARG  59           HN       ARG  59  13.884  -1.395  -0.871
  456    HA   ARG  59           HA       ARG  59  11.807  -2.300   0.756
  457   1HB   ARG  59          2HB       ARG  59  13.042  -3.726  -0.782
  458   2HB   ARG  59          3HB       ARG  59  14.499  -3.536   0.174
  459   1HG   ARG  59          2HG       ARG  59  13.502  -4.772   1.996
  460   2HG   ARG  59          3HG       ARG  59  11.979  -4.892   1.107
  461   1HD   ARG  59          2HD       ARG  59  13.068  -6.171  -0.643
  462   2HD   ARG  59          3HD       ARG  59  14.625  -5.988   0.159
  463    HE   ARG  59           HE       ARG  59  12.641  -7.930   0.716
  464   1HH1  ARG  59          2HH1      ARG  59  15.149  -6.001   2.239
  465   2HH1  ARG  59          1HH1      ARG  59  15.296  -7.067   3.602
  466   1HH2  ARG  59          2HH2      ARG  59  12.846  -9.319   2.511
  467   2HH2  ARG  59          1HH2      ARG  59  14.004  -8.957   3.755
  468    H    ALA  60           HN       ALA  60  15.040  -1.198   1.606
  469    HA   ALA  60           HA       ALA  60  14.796  -2.303   4.256
  470   1HB   ALA  60          1HB       ALA  60  17.110  -0.801   4.234
  471   2HB   ALA  60          2HB       ALA  60  16.971  -2.525   3.883
  472   3HB   ALA  60          3HB       ALA  60  16.945  -1.351   2.566
  473    H    GLU  61           HN       GLU  61  15.292   1.030   3.006
  474    HA   GLU  61           HA       GLU  61  15.295   2.059   5.659
  475   1HB   GLU  61          2HB       GLU  61  15.010   3.629   3.094
  476   2HB   GLU  61          3HB       GLU  61  15.551   4.242   4.658
  477   1HG   GLU  61          2HG       GLU  61  17.469   2.622   4.528
  478   2HG   GLU  61          3HG       GLU  61  16.994   2.319   2.859
  479    H    LEU  62           HN       LEU  62  13.084   2.591   2.993
  480    HA   LEU  62           HA       LEU  62  11.314   4.268   4.208
  481   1HB   LEU  62          2HB       LEU  62  10.928   4.308   2.060
  482   2HB   LEU  62          3HB       LEU  62  11.445   2.639   1.847
  483    HG   LEU  62           HG       LEU  62   9.192   1.885   2.606
  484   1HD1  LEU  62          1HD1      LEU  62   8.849   4.675   3.180
  485   2HD1  LEU  62          2HD1      LEU  62   7.645   4.127   2.011
  486   3HD1  LEU  62          3HD1      LEU  62   7.801   3.310   3.566
  487   1HD2  LEU  62          1HD2      LEU  62   8.176   3.156   0.447
  488   2HD2  LEU  62          2HD2      LEU  62   9.915   3.306   0.199
  489   3HD2  LEU  62          3HD2      LEU  62   9.191   1.714   0.408
  490    HA   PRO  63           HA       PRO  63   8.455   0.498   5.415
  491   1HB   PRO  63          2HB       PRO  63   9.934  -1.602   6.394
  492   2HB   PRO  63          3HB       PRO  63   9.234  -1.551   4.770
  493   1HG   PRO  63          2HG       PRO  63  12.013  -0.870   5.656
  494   2HG   PRO  63          3HG       PRO  63  11.488  -1.835   4.260
  495   1HD   PRO  63          2HD       PRO  63  12.238   0.684   3.926
  496   2HD   PRO  63          3HD       PRO  63  10.818   0.055   3.058
  497    H    LYS  64           HN       LYS  64  11.665   0.797   6.835
  498    HA   LYS  64           HA       LYS  64  10.904   0.513   9.512
  499   1HB   LYS  64          2HB       LYS  64  13.279   1.966   8.345
  500   2HB   LYS  64          3HB       LYS  64  13.067   1.609  10.055
  501   1HG   LYS  64          2HG       LYS  64  12.952  -0.802   9.468
  502   2HG   LYS  64          3HG       LYS  64  13.352  -0.368   7.810
  503   1HD   LYS  64          2HD       LYS  64  15.078   0.290  10.190
  504   2HD   LYS  64          3HD       LYS  64  15.283  -1.149   9.201
  505   1HE   LYS  64          2HE       LYS  64  16.863   0.498   8.489
  506   2HE   LYS  64          3HE       LYS  64  15.644   0.319   7.232
  507   1HZ   LYS  64          1HZ       LYS  64  15.527   2.467   9.273
  508   2HZ   LYS  64          2HZ       LYS  64  14.678   2.363   7.810
  509   3HZ   LYS  64          3HZ       LYS  64  16.344   2.647   7.798
  510    H    TYR  65           HN       TYR  65  10.870   3.268   7.364
  511    HA   TYR  65           HA       TYR  65  10.498   5.215   9.374
  512   1HB   TYR  65          2HB       TYR  65  10.590   6.664   7.671
  513   2HB   TYR  65          3HB       TYR  65  10.828   5.291   6.610
  514    HD1  TYR  65           1HD      TYR  65   7.757   6.771   8.241
  515    HD2  TYR  65           2HD      TYR  65   9.714   5.636   4.617
  516    HE1  TYR  65           1HE      TYR  65   5.768   7.440   6.962
  517    HE2  TYR  65           2HE      TYR  65   7.711   6.304   3.348
  518    HH   TYR  65           HH       TYR  65   4.770   7.412   4.962
  519    H    ALA  66           HN       ALA  66   8.175   3.184   7.528
  520    HA   ALA  66           HA       ALA  66   5.924   4.484   8.766
  521   1HB   ALA  66          1HB       ALA  66   5.548   3.550   6.655
  522   2HB   ALA  66          2HB       ALA  66   6.244   1.999   7.123
  523   3HB   ALA  66          3HB       ALA  66   4.689   2.503   7.784
  524    H    ASN  67           HN       ASN  67   7.188   1.152   9.046
  525    HA   ASN  67           HA       ASN  67   7.392   1.177  11.788
  526   1HB   ASN  67          2HB       ASN  67   4.958   1.198  11.946
  527   2HB   ASN  67          3HB       ASN  67   4.853  -0.225  10.914
  528   1HD2  ASN  67          1HD2      ASN  67   4.339  -1.943  12.052
  529   2HD2  ASN  67          2HD2      ASN  67   4.920  -2.340  13.635
  530    H    TRP  68           HN       TRP  68   6.275  -1.007   9.284
  531    HA   TRP  68           HA       TRP  68   7.369  -3.376  10.116
  532   1HB   TRP  68          2HB       TRP  68   6.634  -2.301   7.422
  533   2HB   TRP  68          3HB       TRP  68   7.415  -3.873   7.548
  534    HD1  TRP  68           1HD      TRP  68   5.764  -5.730   7.409
  535    HE1  TRP  68           1HE      TRP  68   3.328  -6.145   8.112
  536    HE3  TRP  68           3HE      TRP  68   4.737  -1.207   9.575
  537    HZ2  TRP  68           2HZ      TRP  68   1.248  -4.761   9.405
  538    HZ3  TRP  68           3HZ      TRP  68   2.495  -0.840  10.513
  539    HH2  TRP  68           2HH      TRP  68   0.786  -2.577  10.428
  540    HA   PRO  69           HA       PRO  69  11.768  -3.310   9.277
  541   1HB   PRO  69          2HB       PRO  69  11.461  -6.107   8.431
  542   2HB   PRO  69          3HB       PRO  69  12.398  -5.446   9.774
  543   1HG   PRO  69          2HG       PRO  69  10.161  -6.876  10.183
  544   2HG   PRO  69          3HG       PRO  69  10.611  -5.519  11.232
  545   1HD   PRO  69          2HD       PRO  69   8.601  -5.611   9.009
  546   2HD   PRO  69          3HD       PRO  69   8.482  -4.839  10.607
  547    H    THR  70           HN       THR  70   9.504  -4.893   7.112
  548    HA   THR  70           HA       THR  70  10.674  -3.533   4.818
  549    HB   THR  70           HB       THR  70  10.571  -5.616   3.440
  550    HG1  THR  70           1HG      THR  70  10.642  -7.091   5.849
  551   1HG2  THR  70          1HG2      THR  70  12.492  -5.278   5.706
  552   2HG2  THR  70          2HG2      THR  70  12.749  -5.068   3.970
  553   3HG2  THR  70          3HG2      THR  70  12.631  -6.691   4.653
  554    H    PHE  71           HN       PHE  71   8.739  -5.818   3.516
  555    HA   PHE  71           HA       PHE  71   6.232  -4.469   4.207
  556   1HB   PHE  71          2HB       PHE  71   7.225  -4.864   1.367
  557   2HB   PHE  71          3HB       PHE  71   5.659  -4.198   1.813
  558    HD1  PHE  71           1HD      PHE  71   5.426  -1.884   2.250
  559    HD2  PHE  71           2HD      PHE  71   9.304  -3.611   2.010
  560    HE1  PHE  71           1HE      PHE  71   6.428   0.367   2.288
  561    HE2  PHE  71           2HE      PHE  71  10.306  -1.383   2.051
  562    HZ   PHE  71           HZ       PHE  71   8.872   0.615   2.180
  563    HA   PRO  72           HA       PRO  72   4.539  -5.082   1.515
  564   1HB   PRO  72          2HB       PRO  72   1.995  -5.962   1.813
  565   2HB   PRO  72          3HB       PRO  72   3.122  -6.649   0.638
  566   1HG   PRO  72          2HG       PRO  72   2.381  -7.651   3.361
  567   2HG   PRO  72          3HG       PRO  72   2.548  -8.555   1.844
  568   1HD   PRO  72          2HD       PRO  72   4.482  -8.539   3.712
  569   2HD   PRO  72          3HD       PRO  72   4.853  -8.603   1.976
  570    H    GLN  73           HN       GLN  73   3.198  -3.329   1.890
  571    HA   GLN  73           HA       GLN  73   1.829  -3.066   4.438
  572   1HB   GLN  73          2HB       GLN  73   3.784  -0.927   3.578
  573   2HB   GLN  73          3HB       GLN  73   2.769  -0.924   5.004
  574   1HG   GLN  73          2HG       GLN  73   4.032  -2.831   5.892
  575   2HG   GLN  73          3HG       GLN  73   5.097  -2.745   4.484
  576   1HE2  GLN  73          1HE2      GLN  73   6.926  -1.733   4.892
  577   2HE2  GLN  73          2HE2      GLN  73   7.144  -0.417   5.991
  578    H    LEU  74           HN       LEU  74  -0.011  -2.017   4.144
  579    HA   LEU  74           HA       LEU  74  -0.587  -0.865   1.525
  580   1HB   LEU  74          2HB       LEU  74  -2.022  -2.657   2.400
  581   2HB   LEU  74          3HB       LEU  74  -2.407  -1.681   3.797
  582    HG   LEU  74           HG       LEU  74  -4.205  -1.833   2.039
  583   1HD1  LEU  74          1HD1      LEU  74  -4.962   0.018   2.983
  584   2HD1  LEU  74          2HD1      LEU  74  -3.329   0.428   3.507
  585   3HD1  LEU  74          3HD1      LEU  74  -3.918   0.988   1.940
  586   1HD2  LEU  74          1HD2      LEU  74  -2.605  -1.700   0.132
  587   2HD2  LEU  74          2HD2      LEU  74  -3.995  -0.621   0.011
  588   3HD2  LEU  74          3HD2      LEU  74  -2.421   0.018   0.487
  589    H    TRP  75           HN       TRP  75  -1.167   1.246   1.222
  590    HA   TRP  75           HA       TRP  75  -1.250   2.987   3.603
  591   1HB   TRP  75          2HB       TRP  75   0.031   3.565   0.938
  592   2HB   TRP  75          3HB       TRP  75  -0.168   4.736   2.225
  593    HD1  TRP  75           1HD      TRP  75   1.686   1.370   1.623
  594    HE1  TRP  75           1HE      TRP  75   3.840   1.413   3.043
  595    HE3  TRP  75           3HE      TRP  75   0.922   5.760   4.081
  596    HZ2  TRP  75           2HZ      TRP  75   5.028   3.102   4.976
  597    HZ3  TRP  75           3HZ      TRP  75   2.622   6.531   5.703
  598    HH2  TRP  75           2HH      TRP  75   4.629   5.220   6.133
  599    H    VAL  76           HN       VAL  76  -3.015   4.176   3.748
  600    HA   VAL  76           HA       VAL  76  -4.734   4.558   1.363
  601    HB   VAL  76           HB       VAL  76  -5.501   4.602   4.305
  602   1HG1  VAL  76          1HG1      VAL  76  -7.071   5.980   3.394
  603   2HG1  VAL  76          2HG1      VAL  76  -7.009   5.196   1.815
  604   3HG1  VAL  76          3HG1      VAL  76  -7.851   4.411   3.155
  605   1HG2  VAL  76          1HG2      VAL  76  -6.529   2.509   4.021
  606   2HG2  VAL  76          2HG2      VAL  76  -6.339   2.565   2.270
  607   3HG2  VAL  76          3HG2      VAL  76  -4.926   2.357   3.303
  608    H    ASP  77           HN       ASP  77  -4.715   6.640   0.627
  609    HA   ASP  77           HA       ASP  77  -4.393   8.913   0.511
  610   1HB   ASP  77          2HB       ASP  77  -6.313   8.774   2.135
  611   2HB   ASP  77          3HB       ASP  77  -5.118   8.846   3.427
  612    H    GLY  78           HN       GLY  78  -2.343   7.087   1.255
  613   1HA   GLY  78          1HA       GLY  78  -0.063   7.196   1.597
  614   2HA   GLY  78          2HA       GLY  78  -0.243   8.913   1.892
  615    H    GLU  79           HN       GLU  79  -2.048   6.528   3.715
  616    HA   GLU  79           HA       GLU  79  -0.208   6.913   5.953
  617   1HB   GLU  79          2HB       GLU  79  -3.215   6.953   6.149
  618   2HB   GLU  79          3HB       GLU  79  -2.118   6.929   7.523
  619   1HG   GLU  79          2HG       GLU  79  -1.151   9.066   6.715
  620   2HG   GLU  79          3HG       GLU  79  -2.387   9.100   5.459
  621    H    LEU  80           HN       LEU  80   0.402   5.160   6.986
  622    HA   LEU  80           HA       LEU  80   0.062   2.700   5.753
  623   1HB   LEU  80          2HB       LEU  80   2.081   3.253   6.918
  624   2HB   LEU  80          3HB       LEU  80   1.215   3.435   8.438
  625    HG   LEU  80           HG       LEU  80   0.678   0.993   8.332
  626   1HD1  LEU  80          1HD1      LEU  80   2.511  -0.182   6.813
  627   2HD1  LEU  80          2HD1      LEU  80   0.889   0.195   6.227
  628   3HD1  LEU  80          3HD1      LEU  80   2.238   1.263   5.835
  629   1HD2  LEU  80          1HD2      LEU  80   2.569   0.488   9.483
  630   2HD2  LEU  80          2HD2      LEU  80   3.632   1.189   8.262
  631   3HD2  LEU  80          3HD2      LEU  80   2.778   2.237   9.394
  632    H    VAL  81           HN       VAL  81  -1.192   1.028   6.015
  633    HA   VAL  81           HA       VAL  81  -3.041   0.927   8.312
  634    HB   VAL  81           HB       VAL  81  -3.371  -0.210   5.523
  635   1HG1  VAL  81          1HG1      VAL  81  -5.734  -0.749   6.560
  636   2HG1  VAL  81          2HG1      VAL  81  -4.388  -1.879   6.723
  637   3HG1  VAL  81          3HG1      VAL  81  -4.809  -0.809   8.062
  638   1HG2  VAL  81          1HG2      VAL  81  -4.093   1.944   5.306
  639   2HG2  VAL  81          2HG2      VAL  81  -5.584   1.194   5.880
  640   3HG2  VAL  81          3HG2      VAL  81  -4.551   2.081   7.003
  641    H    GLY  82           HN       GLY  82  -1.244  -1.127   6.031
  642   1HA   GLY  82          1HA       GLY  82   0.377  -2.652   7.405
  643   2HA   GLY  82          2HA       GLY  82  -1.146  -3.296   8.008
  644    H    GLY  83           HN       GLY  83   1.135  -4.267   6.099
  645   1HA   GLY  83          1HA       GLY  83  -0.217  -4.429   3.593
  646   2HA   GLY  83          2HA       GLY  83   1.359  -5.086   3.961
  647    H    CYS  84           HN       CYS  84   1.115  -7.146   5.531
  648    HA   CYS  84           HA       CYS  84  -0.098  -8.952   3.730
  649   1HB   CYS  84          2HB       CYS  84   0.779 -10.699   5.349
  650   2HB   CYS  84          3HB       CYS  84   1.969  -9.602   4.658
  651    HG   CYS  84           HG       CYS  84   1.856 -10.354   7.674
  652    H    ASP  85           HN       ASP  85  -0.550  -9.033   7.256
  653    HA   ASP  85           HA       ASP  85  -2.987 -10.523   6.940
  654   1HB   ASP  85          2HB       ASP  85  -1.715  -9.379   9.437
  655   2HB   ASP  85          3HB       ASP  85  -3.050 -10.527   9.405
  656    H    ILE  86           HN       ILE  86  -2.131  -7.289   7.941
  657    HA   ILE  86           HA       ILE  86  -4.519  -6.456   8.999
  658    HB   ILE  86           HB       ILE  86  -2.597  -4.755   7.399
  659   1HG1  ILE  86          2HG1      ILE  86  -1.485  -5.986   9.218
  660   2HG1  ILE  86          3HG1      ILE  86  -1.552  -4.262   9.562
  661   1HG2  ILE  86          1HG2      ILE  86  -4.965  -3.896   8.015
  662   2HG2  ILE  86          2HG2      ILE  86  -4.319  -3.797   9.654
  663   3HG2  ILE  86          3HG2      ILE  86  -3.564  -2.877   8.352
  664   1HD1  ILE  86          1HD1      ILE  86  -3.841  -5.634  10.655
  665   2HD1  ILE  86          2HD1      ILE  86  -2.326  -6.333  11.229
  666   3HD1  ILE  86          3HD1      ILE  86  -2.642  -4.612  11.453
  667    H    VAL  87           HN       VAL  87  -3.497  -6.286   5.592
  668    HA   VAL  87           HA       VAL  87  -5.777  -4.995   4.608
  669    HB   VAL  87           HB       VAL  87  -3.951  -6.950   3.193
  670   1HG1  VAL  87          1HG1      VAL  87  -5.868  -5.003   1.922
  671   2HG1  VAL  87          2HG1      VAL  87  -4.891  -6.236   1.125
  672   3HG1  VAL  87          3HG1      VAL  87  -6.237  -6.711   2.159
  673   1HG2  VAL  87          1HG2      VAL  87  -2.797  -5.068   2.370
  674   2HG2  VAL  87          2HG2      VAL  87  -4.061  -3.960   2.907
  675   3HG2  VAL  87          3HG2      VAL  87  -3.026  -4.756   4.091
  676    H    ILE  88           HN       ILE  88  -5.079  -8.503   4.854
  677    HA   ILE  88           HA       ILE  88  -7.520  -9.344   3.757
  678    HB   ILE  88           HB       ILE  88  -5.755 -10.753   5.757
  679   1HG1  ILE  88          2HG1      ILE  88  -4.735 -10.317   3.549
  680   2HG1  ILE  88          3HG1      ILE  88  -5.007 -12.038   3.811
  681   1HG2  ILE  88          1HG2      ILE  88  -7.608 -12.340   4.106
  682   2HG2  ILE  88          2HG2      ILE  88  -7.132 -12.542   5.793
  683   3HG2  ILE  88          3HG2      ILE  88  -8.370 -11.360   5.361
  684   1HD1  ILE  88          1HD1      ILE  88  -6.323 -10.170   1.918
  685   2HD1  ILE  88          2HD1      ILE  88  -5.753 -11.822   1.672
  686   3HD1  ILE  88          3HD1      ILE  88  -7.257 -11.529   2.548
  687    H    GLU  89           HN       GLU  89  -6.618  -8.847   7.187
  688    HA   GLU  89           HA       GLU  89  -9.108  -9.663   8.196
  689   1HB   GLU  89          2HB       GLU  89  -7.109  -9.374   9.617
  690   2HB   GLU  89          3HB       GLU  89  -7.229  -7.630   9.410
  691   1HG   GLU  89          2HG       GLU  89  -9.417  -7.648  10.508
  692   2HG   GLU  89          3HG       GLU  89  -9.293  -9.394  10.711
  693    H    MET  90           HN       MET  90  -7.926  -6.353   7.560
  694    HA   MET  90           HA       MET  90 -10.362  -5.096   8.191
  695   1HB   MET  90          2HB       MET  90  -8.042  -4.156   6.520
  696   2HB   MET  90          3HB       MET  90  -9.408  -3.131   6.942
  697   1HG   MET  90          2HG       MET  90  -8.916  -3.606   9.345
  698   2HG   MET  90          3HG       MET  90  -7.448  -4.424   8.817
  699   1HE   MET  90          1HE       MET  90  -8.286  -0.124   7.611
  700   2HE   MET  90          2HE       MET  90  -9.433  -1.457   7.721
  701   3HE   MET  90          3HE       MET  90  -9.008  -0.539   9.166
  702    H    TYR  91           HN       TYR  91  -9.243  -6.587   5.293
  703    HA   TYR  91           HA       TYR  91 -11.189  -5.709   3.427
  704   1HB   TYR  91          2HB       TYR  91  -9.381  -6.925   2.570
  705   2HB   TYR  91          3HB       TYR  91  -9.449  -8.120   3.849
  706    HD1  TYR  91           1HD      TYR  91 -11.430  -6.985   0.871
  707    HD2  TYR  91           2HD      TYR  91 -10.233 -10.187   3.391
  708    HE1  TYR  91           1HE      TYR  91 -12.503  -8.563  -0.648
  709    HE2  TYR  91           2HE      TYR  91 -11.301 -11.790   1.891
  710    HH   TYR  91           HH       TYR  91 -13.519 -11.216  -0.166
  711    H    GLN  92           HN       GLN  92 -11.093  -8.523   5.591
  712    HA   GLN  92           HA       GLN  92 -13.727  -9.398   5.052
  713   1HB   GLN  92          2HB       GLN  92 -12.056  -9.829   7.538
  714   2HB   GLN  92          3HB       GLN  92 -13.473 -10.765   7.076
  715   1HG   GLN  92          2HG       GLN  92 -12.299 -11.532   5.066
  716   2HG   GLN  92          3HG       GLN  92 -10.876 -10.614   5.554
  717   1HE2  GLN  92          1HE2      GLN  92 -12.080 -13.590   5.422
  718   2HE2  GLN  92          2HE2      GLN  92 -11.278 -14.323   6.773
  719    H    ARG  93           HN       ARG  93 -12.331  -7.248   7.454
  720    HA   ARG  93           HA       ARG  93 -14.583  -6.763   9.059
  721   1HB   ARG  93          2HB       ARG  93 -12.314  -4.883   8.369
  722   2HB   ARG  93          3HB       ARG  93 -13.425  -4.697   9.713
  723   1HG   ARG  93          2HG       ARG  93 -11.537  -7.006   9.365
  724   2HG   ARG  93          3HG       ARG  93 -11.225  -5.588  10.366
  725   1HD   ARG  93          2HD       ARG  93 -13.557  -7.460  10.732
  726   2HD   ARG  93          3HD       ARG  93 -12.055  -7.547  11.646
  727    HE   ARG  93           HE       ARG  93 -14.232  -5.792  12.126
  728   1HH1  ARG  93          2HH1      ARG  93 -10.732  -5.986  12.273
  729   2HH1  ARG  93          1HH1      ARG  93 -10.569  -4.650  13.373
  730   1HH2  ARG  93          2HH2      ARG  93 -14.026  -4.055  13.599
  731   2HH2  ARG  93          1HH2      ARG  93 -12.448  -3.575  14.153
  732    H    GLY  94           HN       GLY  94 -13.582  -5.394   5.981
  733   1HA   GLY  94          1HA       GLY  94 -15.004  -4.289   4.443
  734   2HA   GLY  94          2HA       GLY  94 -16.161  -4.020   5.739
  735    H    GLU  95           HN       GLU  95 -13.904  -3.097   7.497
  736    HA   GLU  95           HA       GLU  95 -14.242  -0.359   7.138
  737   1HB   GLU  95          2HB       GLU  95 -12.072  -1.804   8.658
  738   2HB   GLU  95          3HB       GLU  95 -12.490  -0.104   8.846
  739   1HG   GLU  95          2HG       GLU  95 -14.741  -0.749   9.562
  740   2HG   GLU  95          3HG       GLU  95 -14.295  -2.445   9.405
  741    H    LEU  96           HN       LEU  96 -11.819  -2.476   5.825
  742    HA   LEU  96           HA       LEU  96  -9.829  -0.601   5.158
  743   1HB   LEU  96          2HB       LEU  96  -9.514  -3.050   5.166
  744   2HB   LEU  96          3HB       LEU  96 -10.555  -3.184   3.768
  745    HG   LEU  96           HG       LEU  96  -7.951  -1.651   3.697
  746   1HD1  LEU  96          1HD1      LEU  96  -7.650  -4.055   2.324
  747   2HD1  LEU  96          2HD1      LEU  96  -6.883  -3.593   3.844
  748   3HD1  LEU  96          3HD1      LEU  96  -8.400  -4.495   3.859
  749   1HD2  LEU  96          1HD2      LEU  96  -9.043  -3.026   1.328
  750   2HD2  LEU  96          2HD2      LEU  96  -9.966  -1.635   1.896
  751   3HD2  LEU  96          3HD2      LEU  96  -8.267  -1.449   1.467
  752    H    GLN  97           HN       GLN  97 -12.389  -1.989   3.171
  753    HA   GLN  97           HA       GLN  97 -12.020  -0.237   0.971
  754   1HB   GLN  97          2HB       GLN  97 -14.365  -0.914   0.346
  755   2HB   GLN  97          3HB       GLN  97 -13.189  -2.199   0.473
  756   1HG   GLN  97          2HG       GLN  97 -14.056  -2.705   2.734
  757   2HG   GLN  97          3HG       GLN  97 -15.296  -1.477   2.480
  758   1HE2  GLN  97          1HE2      GLN  97 -14.583  -4.689   2.256
  759   2HE2  GLN  97          2HE2      GLN  97 -15.809  -5.173   1.131
  760    H    GLN  98           HN       GLN  98 -13.664   0.096   3.966
  761    HA   GLN  98           HA       GLN  98 -15.377   2.246   3.292
  762   1HB   GLN  98          2HB       GLN  98 -14.146   1.328   5.883
  763   2HB   GLN  98          3HB       GLN  98 -15.172   2.740   5.802
  764   1HG   GLN  98          2HG       GLN  98 -15.968  -0.054   5.029
  765   2HG   GLN  98          3HG       GLN  98 -16.404   0.767   6.528
  766   1HE2  GLN  98          1HE2      GLN  98 -17.621  -0.145   3.684
  767   2HE2  GLN  98          2HE2      GLN  98 -18.799   1.103   3.433
  768    H    LEU  99           HN       LEU  99 -12.087   2.031   4.519
  769    HA   LEU  99           HA       LEU  99 -11.607   4.846   4.564
  770   1HB   LEU  99          2HB       LEU  99  -9.537   2.671   4.271
  771   2HB   LEU  99          3HB       LEU  99  -9.322   4.268   4.960
  772    HG   LEU  99           HG       LEU  99 -10.867   1.976   6.172
  773   1HD1  LEU  99          1HD1      LEU  99  -9.066   1.543   7.448
  774   2HD1  LEU  99          2HD1      LEU  99  -8.181   2.363   6.161
  775   3HD1  LEU  99          3HD1      LEU  99  -8.642   3.247   7.617
  776   1HD2  LEU  99          1HD2      LEU  99 -11.037   4.830   6.632
  777   2HD2  LEU  99          2HD2      LEU  99 -12.015   3.522   7.297
  778   3HD2  LEU  99          3HD2      LEU  99 -10.501   3.978   8.079
  779    H    ILE 100           HN       ILE 100 -10.828   2.210   2.317
  780    HA   ILE 100           HA       ILE 100  -9.383   3.747   0.474
  781    HB   ILE 100           HB       ILE 100 -11.032   1.270  -0.067
  782   1HG1  ILE 100          2HG1      ILE 100  -9.255   0.934   1.607
  783   2HG1  ILE 100          3HG1      ILE 100  -8.910   0.068   0.114
  784   1HG2  ILE 100          1HG2      ILE 100  -9.762   3.040  -1.878
  785   2HG2  ILE 100          2HG2      ILE 100  -8.809   1.554  -1.826
  786   3HG2  ILE 100          3HG2      ILE 100 -10.527   1.485  -2.218
  787   1HD1  ILE 100          1HD1      ILE 100  -7.653   2.480  -0.264
  788   2HD1  ILE 100          2HD1      ILE 100  -7.402   2.155   1.451
  789   3HD1  ILE 100          3HD1      ILE 100  -6.888   0.975   0.245
  790    H    LYS 101           HN       LYS 101 -12.843   2.932   0.558
  791    HA   LYS 101           HA       LYS 101 -13.614   4.089  -1.833
  792   1HB   LYS 101          2HB       LYS 101 -15.150   2.742  -0.517
  793   2HB   LYS 101          3HB       LYS 101 -15.135   3.938   0.777
  794   1HG   LYS 101          2HG       LYS 101 -16.076   5.576  -0.793
  795   2HG   LYS 101          3HG       LYS 101 -16.191   4.313  -2.001
  796   1HD   LYS 101          2HD       LYS 101 -18.339   4.613  -0.966
  797   2HD   LYS 101          3HD       LYS 101 -17.679   3.050  -0.490
  798   1HE   LYS 101          2HE       LYS 101 -17.037   3.926   1.662
  799   2HE   LYS 101          3HE       LYS 101 -17.524   5.553   1.185
  800   1HZ   LYS 101          1HZ       LYS 101 -19.151   3.336   2.095
  801   2HZ   LYS 101          2HZ       LYS 101 -19.778   4.161   0.752
  802   3HZ   LYS 101          3HZ       LYS 101 -19.439   5.006   2.183
  803    H    GLU 102           HN       GLU 102 -13.642   5.560   1.404
  804    HA   GLU 102           HA       GLU 102 -14.554   8.047   0.500
  805   1HB   GLU 102          2HB       GLU 102 -14.639   7.293   2.863
  806   2HB   GLU 102          3HB       GLU 102 -12.895   7.508   2.970
  807   1HG   GLU 102          2HG       GLU 102 -13.119   9.875   2.573
  808   2HG   GLU 102          3HG       GLU 102 -14.853   9.700   2.308
  809    H    THR 103           HN       THR 103 -11.308   6.845   1.118
  810    HA   THR 103           HA       THR 103  -9.911   9.212   0.523
  811    HB   THR 103           HB       THR 103  -8.987   6.359   0.249
  812    HG1  THR 103           1HG      THR 103  -9.480   6.568   2.350
  813   1HG2  THR 103          1HG2      THR 103  -7.403   8.890   0.623
  814   2HG2  THR 103          2HG2      THR 103  -7.548   7.992  -0.890
  815   3HG2  THR 103          3HG2      THR 103  -6.758   7.253   0.505
  816    H    ALA 104           HN       ALA 104 -10.739   6.409  -1.522
  817    HA   ALA 104           HA       ALA 104  -9.462   7.372  -3.825
  818   1HB   ALA 104          1HB       ALA 104 -11.205   5.190  -3.146
  819   2HB   ALA 104          2HB       ALA 104 -11.652   5.889  -4.703
  820   3HB   ALA 104          3HB       ALA 104 -10.006   5.315  -4.434
  821    H    ALA 105           HN       ALA 105 -12.787   7.695  -2.652
  822    HA   ALA 105           HA       ALA 105 -13.841   9.064  -4.846
  823   1HB   ALA 105          1HB       ALA 105 -15.626   8.608  -3.605
  824   2HB   ALA 105          2HB       ALA 105 -14.660   8.457  -2.137
  825   3HB   ALA 105          3HB       ALA 105 -15.227  10.043  -2.660
  826    H    LYS 106           HN       LYS 106 -12.289  10.333  -1.890
  827    HA   LYS 106           HA       LYS 106 -12.725  13.032  -2.653
  828   1HB   LYS 106          2HB       LYS 106 -11.146  13.596  -0.792
  829   2HB   LYS 106          3HB       LYS 106 -12.548  12.647  -0.337
  830   1HG   LYS 106          2HG       LYS 106 -10.974  11.546   0.836
  831   2HG   LYS 106          3HG       LYS 106 -10.854  10.653  -0.675
  832   1HD   LYS 106          2HD       LYS 106  -8.646  11.151   0.103
  833   2HD   LYS 106          3HD       LYS 106  -8.967  12.137  -1.326
  834   1HE   LYS 106          2HE       LYS 106  -9.401  14.069   0.037
  835   2HE   LYS 106          3HE       LYS 106  -9.312  13.101   1.508
  836   1HZ   LYS 106          1HZ       LYS 106  -6.952  12.623   0.887
  837   2HZ   LYS 106          2HZ       LYS 106  -7.271  14.233   1.305
  838   3HZ   LYS 106          3HZ       LYS 106  -7.088  13.806  -0.327
  839    H    TYR 107           HN       TYR 107 -10.091  10.790  -3.284
  840    HA   TYR 107           HA       TYR 107  -8.444  12.893  -4.383
  841   1HB   TYR 107          2HB       TYR 107  -8.168   9.914  -4.377
  842   2HB   TYR 107          3HB       TYR 107  -7.131  10.924  -5.370
  843    HD1  TYR 107           1HD      TYR 107  -7.722   9.593  -2.066
  844    HD2  TYR 107           2HD      TYR 107  -5.688  12.628  -4.250
  845    HE1  TYR 107           1HE      TYR 107  -6.204   9.906  -0.195
  846    HE2  TYR 107           2HE      TYR 107  -4.151  12.954  -2.370
  847    HH   TYR 107           HH       TYR 107  -4.679  11.514   0.715
  848    H    LYS 108           HN       LYS 108 -10.418  10.249  -5.822
  849    HA   LYS 108           HA       LYS 108 -10.001  11.536  -8.419
  850   1HB   LYS 108          2HB       LYS 108 -10.972   8.779  -7.769
  851   2HB   LYS 108          3HB       LYS 108 -11.059   9.458  -9.380
  852   1HG   LYS 108          2HG       LYS 108  -9.154   8.065  -9.296
  853   2HG   LYS 108          3HG       LYS 108  -8.590   9.733  -9.341
  854   1HD   LYS 108          2HD       LYS 108  -7.327   8.342  -7.752
  855   2HD   LYS 108          3HD       LYS 108  -8.167   9.679  -6.957
  856   1HE   LYS 108          2HE       LYS 108  -8.435   7.637  -5.683
  857   2HE   LYS 108          3HE       LYS 108  -9.973   8.190  -6.349
  858   1HZ   LYS 108          1HZ       LYS 108 -10.100   6.430  -7.787
  859   2HZ   LYS 108          2HZ       LYS 108  -9.260   5.689  -6.514
  860   3HZ   LYS 108          3HZ       LYS 108  -8.418   6.225  -7.877
  861    H    SER 109           HN       SER 109 -12.427  10.183  -9.391
  862    HA   SER 109           HA       SER 109 -14.330  12.257  -8.871
  863   1HB   SER 109          2HB       SER 109 -15.771  10.874 -10.385
  864   2HB   SER 109          3HB       SER 109 -14.210  11.297 -11.089
  865    HG   SER 109           HG       SER 109 -15.234   8.831 -10.429
  866    H    GLU 110           HN       GLU 110 -16.647  10.558  -8.904
  867    HA   GLU 110           HA       GLU 110 -16.873  10.080  -6.093
  868   1HB   GLU 110          2HB       GLU 110 -18.820   9.502  -8.325
  869   2HB   GLU 110          3HB       GLU 110 -19.189   9.435  -6.606
  870   1HG   GLU 110          2HG       GLU 110 -18.349  11.879  -8.147
  871   2HG   GLU 110          3HG       GLU 110 -19.979  11.502  -7.595
  872    H    GLU 111           HN       GLU 111 -14.909   8.473  -6.574
  873    HA   GLU 111           HA       GLU 111 -15.307   5.903  -7.573
  874   1HB   GLU 111          2HB       GLU 111 -13.637   6.709  -5.179
  875   2HB   GLU 111          3HB       GLU 111 -13.436   5.245  -6.129
  876   1HG   GLU 111          2HG       GLU 111 -13.126   8.005  -7.266
  877   2HG   GLU 111          3HG       GLU 111 -11.796   7.085  -6.567
  878    HA   PRO 112           HA       PRO 112 -18.101   4.597  -4.334
  879   1HB   PRO 112          2HB       PRO 112 -19.419   2.788  -5.774
  880   2HB   PRO 112          3HB       PRO 112 -19.663   4.517  -6.030
  881   1HG   PRO 112          2HG       PRO 112 -18.226   2.534  -7.692
  882   2HG   PRO 112          3HG       PRO 112 -19.002   4.051  -8.173
  883   1HD   PRO 112          2HD       PRO 112 -16.227   3.586  -7.698
  884   2HD   PRO 112          3HD       PRO 112 -17.023   5.125  -8.069
  885    H    ASP 113           HN       ASP 113 -15.541   3.573  -4.190
  886    HA   ASP 113           HA       ASP 113 -15.002   1.014  -4.823
  887   1HB   ASP 113          2HB       ASP 113 -14.111   2.365  -2.267
  888   2HB   ASP 113          3HB       ASP 113 -13.339   0.962  -3.003
  889    H    ALA 114           HN       ALA 114 -15.903   1.809  -1.466
  890    HA   ALA 114           HA       ALA 114 -16.612  -0.935  -0.960
  891   1HB   ALA 114          1HB       ALA 114 -16.063  -0.267   1.096
  892   2HB   ALA 114          2HB       ALA 114 -16.137   1.433   0.626
  893   3HB   ALA 114          3HB       ALA 114 -17.601   0.598   1.152
  894    H    GLU 115           HN       GLU 115 -18.368   2.129  -1.037
  895    HA   GLU 115           HA       GLU 115 -20.667   0.963  -2.249
  896   1HB   GLU 115          2HB       GLU 115 -21.112   0.220   0.003
  897   2HB   GLU 115          3HB       GLU 115 -20.791   1.824   0.646
  898   1HG   GLU 115          2HG       GLU 115 -22.760   2.690  -0.464
  899   2HG   GLU 115          3HG       GLU 115 -23.064   1.111  -1.191
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  23.587   8.423   1.384
    2   2H    MET   1          2H        MET   1  22.612   9.053   0.149
    3   3H    MET   1          3H        MET   1  24.285   8.941  -0.070
    4    HA   MET   1           HA       MET   1  23.164   7.191  -1.283
    5   1HB   MET   1          2HB       MET   1  24.656   6.202   1.165
    6   2HB   MET   1          3HB       MET   1  24.415   5.294  -0.318
    7   1HG   MET   1          2HG       MET   1  25.736   6.945  -1.543
    8   2HG   MET   1          3HG       MET   1  25.986   7.844  -0.047
    9   1HE   MET   1          1HE       MET   1  27.931   5.102   2.072
   10   2HE   MET   1          2HE       MET   1  27.401   6.784   2.088
   11   3HE   MET   1          3HE       MET   1  26.211   5.487   2.012
   12    H    SER   2           HN       SER   2  20.969   8.060  -0.012
   13    HA   SER   2           HA       SER   2  19.545   5.672   0.649
   14   1HB   SER   2          2HB       SER   2  18.918   6.397   2.955
   15   2HB   SER   2          3HB       SER   2  20.630   5.997   2.810
   16    HG   SER   2           HG       SER   2  20.175   8.615   2.258
   17    H    THR   3           HN       THR   3  17.378   5.968   0.338
   18    HA   THR   3           HA       THR   3  16.521   8.441  -0.827
   19    HB   THR   3           HB       THR   3  14.788   6.126   0.069
   20    HG1  THR   3           1HG      THR   3  15.886   5.043  -1.381
   21   1HG2  THR   3          1HG2      THR   3  13.677   8.274  -0.599
   22   2HG2  THR   3          2HG2      THR   3  13.246   6.890  -1.606
   23   3HG2  THR   3          3HG2      THR   3  14.401   8.086  -2.198
   24    H    THR   4           HN       THR   4  15.727  10.162   0.258
   25    HA   THR   4           HA       THR   4  15.560  10.072   3.088
   26    HB   THR   4           HB       THR   4  14.788  12.442   2.878
   27    HG1  THR   4           1HG      THR   4  15.109  13.245   0.595
   28   1HG2  THR   4          1HG2      THR   4  17.298  11.332   2.394
   29   2HG2  THR   4          2HG2      THR   4  16.948  13.006   2.827
   30   3HG2  THR   4          3HG2      THR   4  17.093  12.545   1.130
   31    H    ILE   5           HN       ILE   5  13.868   9.784   4.393
   32    HA   ILE   5           HA       ILE   5  11.404   8.816   3.445
   33    HB   ILE   5           HB       ILE   5  12.359   9.712   6.141
   34   1HG1  ILE   5          2HG1      ILE   5  11.193   7.089   5.259
   35   2HG1  ILE   5          3HG1      ILE   5  12.898   7.461   5.002
   36   1HG2  ILE   5          1HG2      ILE   5  10.298   9.400   7.151
   37   2HG2  ILE   5          2HG2      ILE   5   9.871  10.275   5.676
   38   3HG2  ILE   5          3HG2      ILE   5   9.641   8.527   5.763
   39   1HD1  ILE   5          1HD1      ILE   5  11.591   7.543   7.703
   40   2HD1  ILE   5          2HD1      ILE   5  12.330   6.086   7.033
   41   3HD1  ILE   5          3HD1      ILE   5  13.315   7.520   7.327
   42    H    GLU   6           HN       GLU   6  12.494  12.026   4.228
   43    HA   GLU   6           HA       GLU   6  10.081  13.398   4.388
   44   1HB   GLU   6          2HB       GLU   6  11.375  15.361   3.560
   45   2HB   GLU   6          3HB       GLU   6  12.167  14.505   4.876
   46   1HG   GLU   6          2HG       GLU   6  13.637  13.396   3.286
   47   2HG   GLU   6          3HG       GLU   6  12.829  14.223   1.956
   48    H    LYS   7           HN       LYS   7  11.949  12.470   1.494
   49    HA   LYS   7           HA       LYS   7  10.029  13.647  -0.287
   50   1HB   LYS   7          2HB       LYS   7  11.375  12.895  -2.061
   51   2HB   LYS   7          3HB       LYS   7  12.484  13.321  -0.773
   52   1HG   LYS   7          2HG       LYS   7  12.660  10.950  -0.164
   53   2HG   LYS   7          3HG       LYS   7  11.629  10.566  -1.541
   54   1HD   LYS   7          2HD       LYS   7  14.328  11.913  -1.648
   55   2HD   LYS   7          3HD       LYS   7  13.977  10.249  -2.113
   56   1HE   LYS   7          2HE       LYS   7  12.544  11.024  -3.909
   57   2HE   LYS   7          3HE       LYS   7  12.791  12.698  -3.412
   58   1HZ   LYS   7          1HZ       LYS   7  15.308  11.595  -3.777
   59   2HZ   LYS   7          2HZ       LYS   7  14.539  12.752  -4.745
   60   3HZ   LYS   7          3HZ       LYS   7  14.384  11.104  -5.112
   61    H    ILE   8           HN       ILE   8  10.725  10.452   0.975
   62    HA   ILE   8           HA       ILE   8   9.024   8.944  -0.629
   63    HB   ILE   8           HB       ILE   8   9.870   8.518   2.238
   64   1HG1  ILE   8          2HG1      ILE   8  10.844   7.312  -0.360
   65   2HG1  ILE   8          3HG1      ILE   8  11.680   8.558   0.561
   66   1HG2  ILE   8          1HG2      ILE   8   8.622   6.704   2.392
   67   2HG2  ILE   8          2HG2      ILE   8   7.765   7.272   0.957
   68   3HG2  ILE   8          3HG2      ILE   8   9.111   6.142   0.792
   69   1HD1  ILE   8          1HD1      ILE   8  11.505   6.750   2.476
   70   2HD1  ILE   8          2HD1      ILE   8  11.411   5.659   1.095
   71   3HD1  ILE   8          3HD1      ILE   8  12.802   6.725   1.283
   72    H    GLN   9           HN       GLN   9   8.322  10.556   2.493
   73    HA   GLN   9           HA       GLN   9   5.691   9.603   2.657
   74   1HB   GLN   9          2HB       GLN   9   7.015  11.997   3.903
   75   2HB   GLN   9          3HB       GLN   9   5.325  11.604   4.203
   76   1HG   GLN   9          2HG       GLN   9   6.028   9.397   5.042
   77   2HG   GLN   9          3HG       GLN   9   7.709   9.876   4.816
   78   1HE2  GLN   9          1HE2      GLN   9   8.608  10.342   6.670
   79   2HE2  GLN   9          2HE2      GLN   9   7.879  11.211   7.979
   80    H    ARG  10           HN       ARG  10   6.975  12.501   1.168
   81    HA   ARG  10           HA       ARG  10   4.494  13.648   0.457
   82   1HB   ARG  10          2HB       ARG  10   7.170  13.817  -0.931
   83   2HB   ARG  10          3HB       ARG  10   5.776  14.812  -1.322
   84   1HG   ARG  10          2HG       ARG  10   7.232  14.770   1.304
   85   2HG   ARG  10          3HG       ARG  10   7.355  16.022   0.073
   86   1HD   ARG  10          2HD       ARG  10   4.936  15.279   1.710
   87   2HD   ARG  10          3HD       ARG  10   5.877  16.766   1.812
   88    HE   ARG  10           HE       ARG  10   3.746  16.245   0.059
   89   1HH1  ARG  10          2HH1      ARG  10   6.838  17.883   0.164
   90   2HH1  ARG  10          1HH1      ARG  10   6.496  18.878  -1.225
   91   1HH2  ARG  10          2HH2      ARG  10   3.267  17.566  -1.709
   92   2HH2  ARG  10          1HH2      ARG  10   4.437  18.723  -2.277
   93    H    GLN  11           HN       GLN  11   6.480  11.143  -0.970
   94    HA   GLN  11           HA       GLN  11   5.055  10.945  -3.438
   95   1HB   GLN  11          2HB       GLN  11   7.342  10.093  -3.191
   96   2HB   GLN  11          3HB       GLN  11   6.779   8.902  -2.024
   97   1HG   GLN  11          2HG       GLN  11   5.412   7.852  -3.740
   98   2HG   GLN  11          3HG       GLN  11   5.942   9.056  -4.910
   99   1HE2  GLN  11          1HE2      GLN  11   7.456   8.389  -6.222
  100   2HE2  GLN  11          2HE2      GLN  11   8.658   7.190  -5.874
  101    H    ILE  12           HN       ILE  12   4.877   9.211  -0.362
  102    HA   ILE  12           HA       ILE  12   2.879   7.383  -1.191
  103    HB   ILE  12           HB       ILE  12   3.494   8.351   1.608
  104   1HG1  ILE  12          2HG1      ILE  12   4.598   6.039   0.003
  105   2HG1  ILE  12          3HG1      ILE  12   5.489   7.424   0.634
  106   1HG2  ILE  12          1HG2      ILE  12   2.196   5.765   0.797
  107   2HG2  ILE  12          2HG2      ILE  12   2.354   6.444   2.418
  108   3HG2  ILE  12          3HG2      ILE  12   1.285   7.210   1.242
  109   1HD1  ILE  12          1HD1      ILE  12   5.241   4.958   1.825
  110   2HD1  ILE  12          2HD1      ILE  12   5.813   6.441   2.587
  111   3HD1  ILE  12          3HD1      ILE  12   4.118   5.975   2.727
  112    H    ALA  13           HN       ALA  13   2.750  10.410   0.597
  113    HA   ALA  13           HA       ALA  13   0.030  10.455   1.148
  114   1HB   ALA  13          1HB       ALA  13   1.677  12.914   0.632
  115   2HB   ALA  13          2HB       ALA  13   0.296  12.733   1.712
  116   3HB   ALA  13          3HB       ALA  13   1.826  11.947   2.098
  117    H    GLU  14           HN       GLU  14   1.762  11.621  -1.730
  118    HA   GLU  14           HA       GLU  14  -0.479  12.951  -2.800
  119   1HB   GLU  14          2HB       GLU  14   0.731  13.044  -4.932
  120   2HB   GLU  14          3HB       GLU  14   1.684  13.599  -3.569
  121   1HG   GLU  14          2HG       GLU  14   2.879  11.508  -3.529
  122   2HG   GLU  14          3HG       GLU  14   1.902  10.903  -4.867
  123    H    ASN  15           HN       ASN  15   0.517   9.600  -2.997
  124    HA   ASN  15           HA       ASN  15  -1.345   9.006  -5.129
  125   1HB   ASN  15          2HB       ASN  15   0.162   7.191  -3.242
  126   2HB   ASN  15          3HB       ASN  15  -0.871   6.619  -4.548
  127   1HD2  ASN  15          1HD2      ASN  15   2.215   7.105  -3.741
  128   2HD2  ASN  15          2HD2      ASN  15   2.906   7.407  -5.297
  129    HA   PRO  16           HA       PRO  16  -4.962   9.203  -2.650
  130   1HB   PRO  16          2HB       PRO  16  -6.020   7.422  -4.786
  131   2HB   PRO  16          3HB       PRO  16  -6.651   8.968  -4.206
  132   1HG   PRO  16          2HG       PRO  16  -5.419   8.824  -6.548
  133   2HG   PRO  16          3HG       PRO  16  -5.127  10.202  -5.468
  134   1HD   PRO  16          2HD       PRO  16  -3.418   7.799  -5.985
  135   2HD   PRO  16          3HD       PRO  16  -2.943   9.498  -5.779
  136    H    ILE  17           HN       ILE  17  -4.103   6.139  -4.136
  137    HA   ILE  17           HA       ILE  17  -4.681   4.768  -1.602
  138    HB   ILE  17           HB       ILE  17  -5.426   3.610  -4.304
  139   1HG1  ILE  17          2HG1      ILE  17  -6.906   5.530  -3.902
  140   2HG1  ILE  17          3HG1      ILE  17  -7.795   4.011  -3.787
  141   1HG2  ILE  17          1HG2      ILE  17  -5.905   2.756  -1.466
  142   2HG2  ILE  17          2HG2      ILE  17  -6.808   2.086  -2.835
  143   3HG2  ILE  17          3HG2      ILE  17  -5.056   1.892  -2.753
  144   1HD1  ILE  17          1HD1      ILE  17  -6.971   4.571  -1.181
  145   2HD1  ILE  17          2HD1      ILE  17  -7.463   6.134  -1.851
  146   3HD1  ILE  17          3HD1      ILE  17  -8.590   4.769  -1.854
  147    H    LEU  18           HN       LEU  18  -2.787   3.737  -1.072
  148    HA   LEU  18           HA       LEU  18  -1.038   3.015  -3.326
  149   1HB   LEU  18          2HB       LEU  18  -0.466   5.185  -2.222
  150   2HB   LEU  18          3HB       LEU  18  -0.135   4.290  -0.753
  151    HG   LEU  18           HG       LEU  18   1.664   3.072  -1.896
  152   1HD1  LEU  18          1HD1      LEU  18   2.032   3.137  -4.110
  153   2HD1  LEU  18          2HD1      LEU  18   0.371   3.722  -4.206
  154   3HD1  LEU  18          3HD1      LEU  18   1.712   4.868  -4.217
  155   1HD2  LEU  18          1HD2      LEU  18   3.132   5.125  -2.308
  156   2HD2  LEU  18          2HD2      LEU  18   1.701   6.084  -1.933
  157   3HD2  LEU  18          3HD2      LEU  18   2.375   4.994  -0.722
  158    H    LEU  19           HN       LEU  19   0.190   1.261  -3.147
  159    HA   LEU  19           HA       LEU  19   0.045  -0.352  -0.701
  160   1HB   LEU  19          2HB       LEU  19  -1.664  -1.280  -1.994
  161   2HB   LEU  19          3HB       LEU  19  -0.806  -1.009  -3.496
  162    HG   LEU  19           HG       LEU  19   0.736  -2.834  -2.947
  163   1HD1  LEU  19          1HD1      LEU  19   0.933  -3.512  -0.823
  164   2HD1  LEU  19          2HD1      LEU  19  -0.524  -2.634  -0.347
  165   3HD1  LEU  19          3HD1      LEU  19  -0.653  -4.275  -0.988
  166   1HD2  LEU  19          1HD2      LEU  19  -0.780  -4.601  -3.433
  167   2HD2  LEU  19          2HD2      LEU  19  -2.139  -3.701  -2.757
  168   3HD2  LEU  19          3HD2      LEU  19  -1.361  -3.141  -4.238
  169    H    TYR  20           HN       TYR  20   2.083  -0.842  -0.111
  170    HA   TYR  20           HA       TYR  20   4.106  -0.998  -2.230
  171   1HB   TYR  20          2HB       TYR  20   4.291  -0.658   0.746
  172   2HB   TYR  20          3HB       TYR  20   5.676  -1.227  -0.183
  173    HD1  TYR  20           1HD      TYR  20   7.235   0.397  -0.546
  174    HD2  TYR  20           2HD      TYR  20   3.124   1.503  -0.620
  175    HE1  TYR  20           1HE      TYR  20   7.879   2.701  -1.095
  176    HE2  TYR  20           2HE      TYR  20   3.759   3.807  -1.168
  177    HH   TYR  20           HH       TYR  20   7.133   4.733  -1.707
  178    H    MET  21           HN       MET  21   4.577  -2.912  -3.017
  179    HA   MET  21           HA       MET  21   4.626  -5.207  -1.248
  180   1HB   MET  21          2HB       MET  21   3.293  -6.545  -2.847
  181   2HB   MET  21          3HB       MET  21   2.384  -5.305  -2.013
  182   1HG   MET  21          2HG       MET  21   2.501  -3.900  -4.023
  183   2HG   MET  21          3HG       MET  21   3.373  -5.193  -4.853
  184   1HE   MET  21          1HE       MET  21   0.521  -3.894  -5.932
  185   2HE   MET  21          2HE       MET  21   1.539  -5.064  -6.772
  186   3HE   MET  21          3HE       MET  21  -0.175  -5.399  -6.534
  187    H    LYS  22           HN       LYS  22   4.963  -7.227  -3.120
  188    HA   LYS  22           HA       LYS  22   7.620  -6.504  -4.097
  189   1HB   LYS  22          2HB       LYS  22   7.399  -8.507  -2.656
  190   2HB   LYS  22          3HB       LYS  22   6.341  -9.238  -3.857
  191   1HG   LYS  22          2HG       LYS  22   8.119  -9.353  -5.453
  192   2HG   LYS  22          3HG       LYS  22   9.185  -8.417  -4.405
  193   1HD   LYS  22          2HD       LYS  22   9.121 -10.234  -2.744
  194   2HD   LYS  22          3HD       LYS  22   8.083 -11.168  -3.825
  195   1HE   LYS  22          2HE       LYS  22   9.826 -11.245  -5.496
  196   2HE   LYS  22          3HE       LYS  22  10.854 -10.199  -4.520
  197   1HZ   LYS  22          1HZ       LYS  22  11.083 -11.899  -2.890
  198   2HZ   LYS  22          2HZ       LYS  22  11.412 -12.598  -4.400
  199   3HZ   LYS  22          3HZ       LYS  22   9.922 -12.884  -3.643
  200    H    GLY  23           HN       GLY  23   7.125  -5.393  -5.882
  201   1HA   GLY  23          1HA       GLY  23   5.266  -6.466  -7.816
  202   2HA   GLY  23          2HA       GLY  23   6.037  -4.887  -7.865
  203    H    SER  24           HN       SER  24   6.816  -8.311  -8.118
  204    HA   SER  24           HA       SER  24   9.081  -7.831  -9.835
  205   1HB   SER  24          2HB       SER  24   7.657 -10.375  -9.032
  206   2HB   SER  24          3HB       SER  24   9.156 -10.315  -9.962
  207    HG   SER  24           HG       SER  24  10.240  -9.619  -8.222
  208    HA   PRO  25           HA       PRO  25   6.982  -7.676 -13.745
  209   1HB   PRO  25          2HB       PRO  25   9.082  -9.533 -14.743
  210   2HB   PRO  25          3HB       PRO  25   8.597  -7.948 -15.358
  211   1HG   PRO  25          2HG       PRO  25  10.880  -8.252 -14.013
  212   2HG   PRO  25          3HG       PRO  25   9.879  -6.804 -13.806
  213   1HD   PRO  25          2HD       PRO  25  10.189  -9.167 -12.009
  214   2HD   PRO  25          3HD       PRO  25   9.997  -7.452 -11.594
  215    H    LYS  26           HN       LYS  26   8.243 -10.774 -12.678
  216    HA   LYS  26           HA       LYS  26   6.523 -12.480 -14.125
  217   1HB   LYS  26          2HB       LYS  26   7.266 -14.198 -12.525
  218   2HB   LYS  26          3HB       LYS  26   8.615 -13.258 -13.151
  219   1HG   LYS  26          2HG       LYS  26   8.540 -11.884 -11.079
  220   2HG   LYS  26          3HG       LYS  26   7.315 -12.986 -10.450
  221   1HD   LYS  26          2HD       LYS  26   9.505 -13.576  -9.589
  222   2HD   LYS  26          3HD       LYS  26   8.909 -14.848 -10.660
  223   1HE   LYS  26          2HE       LYS  26  10.279 -13.994 -12.470
  224   2HE   LYS  26          3HE       LYS  26  10.828 -12.662 -11.457
  225   1HZ   LYS  26          1HZ       LYS  26  11.258 -15.301 -10.349
  226   2HZ   LYS  26          2HZ       LYS  26  12.296 -13.961 -10.412
  227   3HZ   LYS  26          3HZ       LYS  26  12.134 -14.972 -11.763
  228    H    LEU  27           HN       LEU  27   6.209 -10.845 -11.033
  229    HA   LEU  27           HA       LEU  27   3.364 -11.330 -10.947
  230   1HB   LEU  27          2HB       LEU  27   4.732 -13.342  -9.922
  231   2HB   LEU  27          3HB       LEU  27   4.971 -12.235  -8.582
  232    HG   LEU  27           HG       LEU  27   2.329 -13.323  -9.585
  233   1HD1  LEU  27          1HD1      LEU  27   3.649 -14.926  -8.332
  234   2HD1  LEU  27          2HD1      LEU  27   3.836 -13.765  -7.017
  235   3HD1  LEU  27          3HD1      LEU  27   2.243 -14.411  -7.402
  236   1HD2  LEU  27          1HD2      LEU  27   2.117 -10.993  -8.782
  237   2HD2  LEU  27          2HD2      LEU  27   1.259 -12.160  -7.776
  238   3HD2  LEU  27          3HD2      LEU  27   2.801 -11.497  -7.238
  239    HA   PRO  28           HA       PRO  28   4.455  -7.262  -9.300
  240   1HB   PRO  28          2HB       PRO  28   1.890  -6.326  -9.188
  241   2HB   PRO  28          3HB       PRO  28   2.885  -6.305 -10.638
  242   1HG   PRO  28          2HG       PRO  28   0.720  -8.178  -9.818
  243   2HG   PRO  28          3HG       PRO  28   1.114  -7.546 -11.428
  244   1HD   PRO  28          2HD       PRO  28   1.775 -10.035 -10.617
  245   2HD   PRO  28          3HD       PRO  28   2.736  -9.115 -11.783
  246    H    SER  29           HN       SER  29   3.404  -9.733  -7.584
  247    HA   SER  29           HA       SER  29   3.576  -8.336  -5.129
  248   1HB   SER  29          2HB       SER  29   1.355  -9.139  -4.280
  249   2HB   SER  29          3HB       SER  29   1.293  -7.834  -5.458
  250    HG   SER  29           HG       SER  29  -0.230  -9.429  -5.975
  251    H    CYS  30           HN       CYS  30   5.148 -10.188  -6.178
  252    HA   CYS  30           HA       CYS  30   4.594 -12.856  -5.872
  253   1HB   CYS  30          2HB       CYS  30   6.537 -11.959  -7.057
  254   2HB   CYS  30          3HB       CYS  30   7.255 -11.463  -5.529
  255    HG   CYS  30           HG       CYS  30   7.058 -14.546  -6.922
  256    H    GLY  31           HN       GLY  31   5.872 -10.660  -3.395
  257   1HA   GLY  31          1HA       GLY  31   6.481 -12.682  -1.510
  258   2HA   GLY  31          2HA       GLY  31   6.353 -10.967  -1.173
  259    H    PHE  32           HN       PHE  32   5.165 -10.850   0.627
  260    HA   PHE  32           HA       PHE  32   3.023 -12.655   1.193
  261   1HB   PHE  32          2HB       PHE  32   3.988 -10.175   2.568
  262   2HB   PHE  32          3HB       PHE  32   2.511 -10.984   3.065
  263    HD1  PHE  32           1HD      PHE  32   2.549 -12.744   4.495
  264    HD2  PHE  32           2HD      PHE  32   6.144 -11.548   2.555
  265    HE1  PHE  32           1HE      PHE  32   3.841 -14.268   5.953
  266    HE2  PHE  32           2HE      PHE  32   7.441 -13.081   3.991
  267    HZ   PHE  32           HZ       PHE  32   6.285 -14.442   5.692
  268    H    SER  33           HN       SER  33   3.215  -9.767  -0.524
  269    HA   SER  33           HA       SER  33   0.715  -8.668   0.017
  270   1HB   SER  33          2HB       SER  33   1.063  -7.649  -2.273
  271   2HB   SER  33          3HB       SER  33   2.277  -7.320  -1.037
  272    HG   SER  33           HG       SER  33   2.460  -9.359  -3.020
  273    H    ALA  34           HN       ALA  34   1.525 -11.446  -1.827
  274    HA   ALA  34           HA       ALA  34  -0.161 -11.544  -3.917
  275   1HB   ALA  34          1HB       ALA  34   1.456 -13.307  -3.266
  276   2HB   ALA  34          2HB       ALA  34   0.282 -13.897  -2.090
  277   3HB   ALA  34          3HB       ALA  34  -0.097 -13.938  -3.812
  278    H    GLN  35           HN       GLN  35  -1.147 -12.299  -0.575
  279    HA   GLN  35           HA       GLN  35  -3.847 -12.895  -1.411
  280   1HB   GLN  35          2HB       GLN  35  -3.011 -12.346   1.456
  281   2HB   GLN  35          3HB       GLN  35  -4.409 -13.236   0.885
  282   1HG   GLN  35          2HG       GLN  35  -2.963 -14.876   1.658
  283   2HG   GLN  35          3HG       GLN  35  -2.753 -14.907  -0.092
  284   1HE2  GLN  35          1HE2      GLN  35  -1.408 -12.188   1.331
  285   2HE2  GLN  35          2HE2      GLN  35   0.243 -12.678   1.355
  286    H    ALA  36           HN       ALA  36  -2.145 -10.193   0.025
  287    HA   ALA  36           HA       ALA  36  -4.326  -8.635   0.788
  288   1HB   ALA  36          1HB       ALA  36  -1.839  -7.294  -0.118
  289   2HB   ALA  36          2HB       ALA  36  -2.798  -7.044   1.342
  290   3HB   ALA  36          3HB       ALA  36  -1.727  -8.440   1.218
  291    H    VAL  37           HN       VAL  37  -2.420  -8.594  -2.180
  292    HA   VAL  37           HA       VAL  37  -3.591  -6.411  -3.427
  293    HB   VAL  37           HB       VAL  37  -1.584  -7.528  -4.270
  294   1HG1  VAL  37          1HG1      VAL  37  -3.092  -9.860  -4.102
  295   2HG1  VAL  37          2HG1      VAL  37  -2.803  -9.609  -5.825
  296   3HG1  VAL  37          3HG1      VAL  37  -1.442  -9.689  -4.703
  297   1HG2  VAL  37          1HG2      VAL  37  -3.514  -7.787  -6.528
  298   2HG2  VAL  37          2HG2      VAL  37  -3.317  -6.213  -5.748
  299   3HG2  VAL  37          3HG2      VAL  37  -1.926  -7.012  -6.485
  300    H    GLN  38           HN       GLN  38  -4.644  -9.766  -3.286
  301    HA   GLN  38           HA       GLN  38  -6.766  -9.523  -5.134
  302   1HB   GLN  38          2HB       GLN  38  -6.692 -11.453  -2.819
  303   2HB   GLN  38          3HB       GLN  38  -7.495 -11.659  -4.369
  304   1HG   GLN  38          2HG       GLN  38  -4.527 -11.642  -3.871
  305   2HG   GLN  38          3HG       GLN  38  -5.530 -13.044  -4.224
  306   1HE2  GLN  38          1HE2      GLN  38  -6.842 -10.806  -6.156
  307   2HE2  GLN  38          2HE2      GLN  38  -5.853 -10.971  -7.566
  308    H    ALA  39           HN       ALA  39  -6.641  -9.415  -1.595
  309    HA   ALA  39           HA       ALA  39  -9.360  -9.048  -1.083
  310   1HB   ALA  39          1HB       ALA  39  -6.897  -8.233   0.432
  311   2HB   ALA  39          2HB       ALA  39  -8.526  -7.946   1.050
  312   3HB   ALA  39          3HB       ALA  39  -7.978  -9.595   0.737
  313    H    LEU  40           HN       LEU  40  -6.822  -6.619  -1.611
  314    HA   LEU  40           HA       LEU  40  -8.320  -4.344  -1.000
  315   1HB   LEU  40          2HB       LEU  40  -5.775  -4.784  -1.665
  316   2HB   LEU  40          3HB       LEU  40  -6.353  -4.269  -3.227
  317    HG   LEU  40           HG       LEU  40  -6.397  -2.640  -0.686
  318   1HD1  LEU  40          1HD1      LEU  40  -4.419  -3.028  -2.681
  319   2HD1  LEU  40          2HD1      LEU  40  -5.036  -1.379  -2.834
  320   3HD1  LEU  40          3HD1      LEU  40  -4.388  -1.943  -1.291
  321   1HD2  LEU  40          1HD2      LEU  40  -6.922  -1.042  -2.958
  322   2HD2  LEU  40          2HD2      LEU  40  -8.048  -2.399  -2.992
  323   3HD2  LEU  40          3HD2      LEU  40  -7.969  -1.355  -1.571
  324    H    ALA  41           HN       ALA  41  -7.565  -5.711  -4.182
  325    HA   ALA  41           HA       ALA  41  -9.202  -4.012  -5.690
  326   1HB   ALA  41          1HB       ALA  41  -8.585  -6.839  -6.493
  327   2HB   ALA  41          2HB       ALA  41  -8.750  -5.409  -7.512
  328   3HB   ALA  41          3HB       ALA  41  -7.337  -5.594  -6.474
  329    H    ALA  42           HN       ALA  42  -9.799  -6.948  -3.938
  330    HA   ALA  42           HA       ALA  42 -12.324  -7.552  -5.121
  331   1HB   ALA  42          1HB       ALA  42 -12.386  -9.363  -3.760
  332   2HB   ALA  42          2HB       ALA  42 -10.670  -8.990  -3.609
  333   3HB   ALA  42          3HB       ALA  42 -11.797  -8.471  -2.358
  334    H    CYS  43           HN       CYS  43 -11.429  -5.957  -2.060
  335    HA   CYS  43           HA       CYS  43 -14.166  -5.561  -1.354
  336   1HB   CYS  43          2HB       CYS  43 -13.290  -4.290   0.545
  337   2HB   CYS  43          3HB       CYS  43 -12.481  -5.830   0.366
  338    HG   CYS  43           HG       CYS  43 -11.135  -2.889  -0.740
  339    H    GLY  44           HN       GLY  44 -11.571  -3.368  -2.383
  340   1HA   GLY  44          1HA       GLY  44 -13.564  -1.249  -2.812
  341   2HA   GLY  44          2HA       GLY  44 -11.832  -1.017  -2.642
  342    H    GLU  45           HN       GLU  45 -11.255  -0.039  -4.417
  343    HA   GLU  45           HA       GLU  45 -11.861  -1.349  -6.973
  344   1HB   GLU  45          2HB       GLU  45 -12.072   0.785  -8.085
  345   2HB   GLU  45          3HB       GLU  45 -13.207   0.714  -6.747
  346   1HG   GLU  45          2HG       GLU  45 -11.937   2.205  -5.450
  347   2HG   GLU  45          3HG       GLU  45 -10.530   2.048  -6.505
  348    H    ARG  46           HN       ARG  46 -10.301   0.726  -8.375
  349    HA   ARG  46           HA       ARG  46  -7.824  -0.570  -8.379
  350   1HB   ARG  46          2HB       ARG  46  -8.827   1.952  -9.660
  351   2HB   ARG  46          3HB       ARG  46  -7.166   1.400  -9.869
  352   1HG   ARG  46          2HG       ARG  46  -9.617  -0.217 -10.527
  353   2HG   ARG  46          3HG       ARG  46  -8.642   0.677 -11.690
  354   1HD   ARG  46          2HD       ARG  46  -6.679  -0.649 -11.040
  355   2HD   ARG  46          3HD       ARG  46  -7.679  -1.544  -9.903
  356    HE   ARG  46           HE       ARG  46  -8.814  -1.761 -12.456
  357   1HH1  ARG  46          2HH1      ARG  46  -5.957  -2.737 -10.704
  358   2HH1  ARG  46          1HH1      ARG  46  -5.719  -4.197 -11.621
  359   1HH2  ARG  46          2HH2      ARG  46  -8.541  -3.691 -13.665
  360   2HH2  ARG  46          1HH2      ARG  46  -7.213  -4.750 -13.296
  361    H    PHE  47           HN       PHE  47  -5.802   0.133  -7.928
  362    HA   PHE  47           HA       PHE  47  -5.491   2.300  -6.002
  363   1HB   PHE  47          2HB       PHE  47  -4.529   0.774  -4.349
  364   2HB   PHE  47          3HB       PHE  47  -6.178   0.303  -4.727
  365    HD1  PHE  47           1HD      PHE  47  -2.632  -0.498  -5.578
  366    HD2  PHE  47           2HD      PHE  47  -6.664  -1.876  -5.353
  367    HE1  PHE  47           1HE      PHE  47  -1.878  -2.786  -6.070
  368    HE2  PHE  47           2HE      PHE  47  -5.908  -4.166  -5.840
  369    HZ   PHE  47           HZ       PHE  47  -3.516  -4.622  -6.210
  370    H    ALA  48           HN       ALA  48  -3.242   2.742  -5.551
  371    HA   ALA  48           HA       ALA  48  -1.511   1.977  -7.789
  372   1HB   ALA  48          1HB       ALA  48  -0.188   3.890  -7.357
  373   2HB   ALA  48          2HB       ALA  48  -1.868   4.423  -7.282
  374   3HB   ALA  48          3HB       ALA  48  -0.960   4.157  -5.792
  375    H    TYR  49           HN       TYR  49   0.543   1.128  -7.416
  376    HA   TYR  49           HA       TYR  49   1.027   0.218  -4.655
  377   1HB   TYR  49          2HB       TYR  49   1.165  -2.027  -5.273
  378   2HB   TYR  49          3HB       TYR  49  -0.180  -1.475  -6.265
  379    HD1  TYR  49           1HD      TYR  49   3.411  -2.244  -6.268
  380    HD2  TYR  49           2HD      TYR  49  -0.057  -1.637  -8.642
  381    HE1  TYR  49           1HE      TYR  49   4.641  -3.031  -8.230
  382    HE2  TYR  49           2HE      TYR  49   1.158  -2.456 -10.626
  383    HH   TYR  49           HH       TYR  49   4.620  -3.215 -10.468
  384    H    VAL  50           HN       VAL  50   3.234  -0.342  -4.270
  385    HA   VAL  50           HA       VAL  50   5.134   0.540  -6.335
  386    HB   VAL  50           HB       VAL  50   5.369   1.148  -3.370
  387   1HG1  VAL  50          1HG1      VAL  50   7.240   1.251  -5.611
  388   2HG1  VAL  50          2HG1      VAL  50   7.151   2.755  -4.694
  389   3HG1  VAL  50          3HG1      VAL  50   7.544   1.242  -3.873
  390   1HG2  VAL  50          1HG2      VAL  50   4.176   2.655  -5.595
  391   2HG2  VAL  50          2HG2      VAL  50   3.928   2.803  -3.854
  392   3HG2  VAL  50          3HG2      VAL  50   5.323   3.570  -4.614
  393    H    ASP  51           HN       ASP  51   6.692  -0.872  -6.696
  394    HA   ASP  51           HA       ASP  51   6.852  -3.281  -5.145
  395   1HB   ASP  51          2HB       ASP  51   8.699  -3.889  -6.720
  396   2HB   ASP  51          3HB       ASP  51   7.168  -3.527  -7.501
  397    H    ILE  52           HN       ILE  52   8.290  -3.829  -3.655
  398    HA   ILE  52           HA       ILE  52  10.582  -2.157  -3.111
  399    HB   ILE  52           HB       ILE  52   9.684  -2.202  -0.586
  400   1HG1  ILE  52          2HG1      ILE  52   7.331  -1.280  -0.713
  401   2HG1  ILE  52          3HG1      ILE  52   7.280  -1.905  -2.358
  402   1HG2  ILE  52          1HG2      ILE  52   8.709   0.167  -1.868
  403   2HG2  ILE  52          2HG2      ILE  52  10.094  -0.062  -0.796
  404   3HG2  ILE  52          3HG2      ILE  52  10.270  -0.324  -2.535
  405   1HD1  ILE  52          1HD1      ILE  52   6.396  -3.261  -0.272
  406   2HD1  ILE  52          2HD1      ILE  52   7.111  -4.041  -1.687
  407   3HD1  ILE  52          3HD1      ILE  52   8.083  -3.780  -0.236
  408    H    LEU  53           HN       LEU  53   8.733  -5.060  -2.238
  409    HA   LEU  53           HA       LEU  53  10.887  -6.214  -0.740
  410   1HB   LEU  53          2HB       LEU  53   8.659  -7.613  -2.226
  411   2HB   LEU  53          3HB       LEU  53   9.835  -8.419  -1.212
  412    HG   LEU  53           HG       LEU  53   8.110  -8.295   0.246
  413   1HD1  LEU  53          1HD1      LEU  53   9.607  -5.736   0.543
  414   2HD1  LEU  53          2HD1      LEU  53   8.335  -6.200   1.674
  415   3HD1  LEU  53          3HD1      LEU  53   9.752  -7.231   1.473
  416   1HD2  LEU  53          1HD2      LEU  53   6.233  -7.132  -0.030
  417   2HD2  LEU  53          2HD2      LEU  53   7.092  -5.601  -0.217
  418   3HD2  LEU  53          3HD2      LEU  53   6.922  -6.691  -1.594
  419    H    GLN  54           HN       GLN  54  10.494  -5.383  -3.914
  420    HA   GLN  54           HA       GLN  54  12.288  -7.412  -4.968
  421   1HB   GLN  54          2HB       GLN  54  10.262  -6.949  -6.242
  422   2HB   GLN  54          3HB       GLN  54  10.665  -5.241  -6.319
  423   1HG   GLN  54          2HG       GLN  54  12.523  -7.259  -7.491
  424   2HG   GLN  54          3HG       GLN  54  11.072  -6.786  -8.367
  425   1HE2  GLN  54          1HE2      GLN  54  11.571  -4.082  -6.867
  426   2HE2  GLN  54          2HE2      GLN  54  12.692  -3.280  -7.901
  427    H    ASN  55           HN       ASN  55  12.122  -3.887  -4.477
  428    HA   ASN  55           HA       ASN  55  14.824  -3.438  -5.439
  429   1HB   ASN  55          2HB       ASN  55  13.051  -1.622  -3.792
  430   2HB   ASN  55          3HB       ASN  55  14.557  -1.162  -4.577
  431   1HD2  ASN  55          1HD2      ASN  55  11.369  -0.891  -4.803
  432   2HD2  ASN  55          2HD2      ASN  55  11.170  -0.766  -6.516
  433    HA   PRO  56           HA       PRO  56  16.710  -4.670  -1.633
  434   1HB   PRO  56          2HB       PRO  56  19.077  -3.216  -2.572
  435   2HB   PRO  56          3HB       PRO  56  18.882  -4.940  -2.238
  436   1HG   PRO  56          2HG       PRO  56  19.123  -4.024  -4.745
  437   2HG   PRO  56          3HG       PRO  56  18.065  -5.393  -4.353
  438   1HD   PRO  56          2HD       PRO  56  17.337  -2.514  -4.762
  439   2HD   PRO  56          3HD       PRO  56  16.548  -3.961  -5.423
  440    H    ASP  57           HN       ASP  57  17.303  -1.399  -2.842
  441    HA   ASP  57           HA       ASP  57  17.995  -0.401  -0.263
  442   1HB   ASP  57          2HB       ASP  57  17.990   1.849  -1.493
  443   2HB   ASP  57          3HB       ASP  57  19.144   0.627  -2.011
  444    H    ILE  58           HN       ILE  58  15.204   0.427  -2.361
  445    HA   ILE  58           HA       ILE  58  13.984   2.156  -0.528
  446    HB   ILE  58           HB       ILE  58  12.523   0.463  -2.569
  447   1HG1  ILE  58          2HG1      ILE  58  13.810   3.187  -2.894
  448   2HG1  ILE  58          3HG1      ILE  58  14.418   1.691  -3.591
  449   1HG2  ILE  58          1HG2      ILE  58  11.688   3.221  -1.983
  450   2HG2  ILE  58          2HG2      ILE  58  10.718   1.768  -2.218
  451   3HG2  ILE  58          3HG2      ILE  58  11.477   2.079  -0.657
  452   1HD1  ILE  58          1HD1      ILE  58  12.103   1.556  -4.727
  453   2HD1  ILE  58          2HD1      ILE  58  11.994   3.272  -4.332
  454   3HD1  ILE  58          3HD1      ILE  58  13.306   2.684  -5.354
  455    H    ARG  59           HN       ARG  59  13.868  -1.301  -0.821
  456    HA   ARG  59           HA       ARG  59  11.668  -2.026   0.661
  457   1HB   ARG  59          2HB       ARG  59  13.168  -3.531  -0.599
  458   2HB   ARG  59          3HB       ARG  59  14.391  -3.330   0.640
  459   1HG   ARG  59          2HG       ARG  59  12.983  -4.451   2.260
  460   2HG   ARG  59          3HG       ARG  59  11.685  -4.583   1.065
  461   1HD   ARG  59          2HD       ARG  59  13.177  -5.903  -0.377
  462   2HD   ARG  59          3HD       ARG  59  14.434  -5.807   0.850
  463    HE   ARG  59           HE       ARG  59  12.152  -6.912   2.031
  464   1HH1  ARG  59          2HH1      ARG  59  14.506  -7.716  -0.445
  465   2HH1  ARG  59          1HH1      ARG  59  14.375  -9.431  -0.183
  466   1HH2  ARG  59          2HH2      ARG  59  11.978  -9.154   2.362
  467   2HH2  ARG  59          1HH2      ARG  59  12.945 -10.244   1.416
  468    H    ALA  60           HN       ALA  60  14.826  -0.974   1.820
  469    HA   ALA  60           HA       ALA  60  14.317  -1.856   4.487
  470   1HB   ALA  60          1HB       ALA  60  16.592  -0.468   4.738
  471   2HB   ALA  60          2HB       ALA  60  16.511  -2.114   4.105
  472   3HB   ALA  60          3HB       ALA  60  16.593  -0.745   2.994
  473    H    GLU  61           HN       GLU  61  14.646   1.360   3.041
  474    HA   GLU  61           HA       GLU  61  14.980   2.640   5.498
  475   1HB   GLU  61          2HB       GLU  61  14.258   3.792   2.795
  476   2HB   GLU  61          3HB       GLU  61  14.925   4.696   4.152
  477   1HG   GLU  61          2HG       GLU  61  16.974   3.532   4.061
  478   2HG   GLU  61          3HG       GLU  61  16.321   2.328   2.955
  479    H    LEU  62           HN       LEU  62  12.171   3.197   3.288
  480    HA   LEU  62           HA       LEU  62  10.930   4.822   5.221
  481   1HB   LEU  62          2HB       LEU  62   8.949   4.905   3.850
  482   2HB   LEU  62          3HB       LEU  62  10.394   5.179   2.881
  483    HG   LEU  62           HG       LEU  62   9.084   2.461   3.034
  484   1HD1  LEU  62          1HD1      LEU  62   7.644   2.948   1.291
  485   2HD1  LEU  62          2HD1      LEU  62   7.530   4.396   2.292
  486   3HD1  LEU  62          3HD1      LEU  62   8.524   4.408   0.836
  487   1HD2  LEU  62          1HD2      LEU  62  11.034   2.122   1.965
  488   2HD2  LEU  62          2HD2      LEU  62  10.101   2.700   0.585
  489   3HD2  LEU  62          3HD2      LEU  62  11.172   3.803   1.451
  490    HA   PRO  63           HA       PRO  63   8.033   0.887   5.998
  491   1HB   PRO  63          2HB       PRO  63   9.704  -1.186   6.775
  492   2HB   PRO  63          3HB       PRO  63   8.868  -1.093   5.221
  493   1HG   PRO  63          2HG       PRO  63  11.676  -0.326   5.913
  494   2HG   PRO  63          3HG       PRO  63  11.067  -1.194   4.487
  495   1HD   PRO  63          2HD       PRO  63  11.688   1.373   4.308
  496   2HD   PRO  63          3HD       PRO  63  10.218   0.760   3.519
  497    H    LYS  64           HN       LYS  64  11.263   1.266   7.298
  498    HA   LYS  64           HA       LYS  64  10.886   0.880  10.000
  499   1HB   LYS  64          2HB       LYS  64  12.665   2.771   8.488
  500   2HB   LYS  64          3HB       LYS  64  12.832   2.417  10.207
  501   1HG   LYS  64          2HG       LYS  64  13.383   0.178   9.797
  502   2HG   LYS  64          3HG       LYS  64  12.834   0.257   8.128
  503   1HD   LYS  64          2HD       LYS  64  15.290   0.260   8.351
  504   2HD   LYS  64          3HD       LYS  64  14.653   1.682   7.535
  505   1HE   LYS  64          2HE       LYS  64  16.421   2.302   9.049
  506   2HE   LYS  64          3HE       LYS  64  14.883   2.959   9.597
  507   1HZ   LYS  64          1HZ       LYS  64  14.967   1.790  11.476
  508   2HZ   LYS  64          2HZ       LYS  64  16.612   1.557  11.129
  509   3HZ   LYS  64          3HZ       LYS  64  15.481   0.368  10.702
  510    H    TYR  65           HN       TYR  65  10.278   3.729   8.005
  511    HA   TYR  65           HA       TYR  65   9.657   5.401  10.217
  512   1HB   TYR  65          2HB       TYR  65   9.655   7.073   8.720
  513   2HB   TYR  65          3HB       TYR  65  10.248   5.883   7.585
  514    HD1  TYR  65           1HD      TYR  65   6.889   6.996   8.866
  515    HD2  TYR  65           2HD      TYR  65   9.294   6.008   5.477
  516    HE1  TYR  65           1HE      TYR  65   5.015   7.541   7.382
  517    HE2  TYR  65           2HE      TYR  65   7.399   6.548   3.990
  518    HH   TYR  65           HH       TYR  65   4.323   7.779   5.302
  519    H    ALA  66           HN       ALA  66   7.677   3.443   7.948
  520    HA   ALA  66           HA       ALA  66   5.237   4.503   8.975
  521   1HB   ALA  66          1HB       ALA  66   5.605   1.882   7.569
  522   2HB   ALA  66          2HB       ALA  66   4.167   2.903   7.614
  523   3HB   ALA  66          3HB       ALA  66   5.605   3.441   6.748
  524    H    ASN  67           HN       ASN  67   6.635   1.226   9.339
  525    HA   ASN  67           HA       ASN  67   6.449   1.171  12.086
  526   1HB   ASN  67          2HB       ASN  67   3.981   1.145  11.732
  527   2HB   ASN  67          3HB       ASN  67   4.149  -0.362  10.842
  528   1HD2  ASN  67          1HD2      ASN  67   3.341   0.921  13.720
  529   2HD2  ASN  67          2HD2      ASN  67   3.643  -0.437  14.750
  530    H    TRP  68           HN       TRP  68   5.727  -0.939   9.396
  531    HA   TRP  68           HA       TRP  68   6.840  -3.314  10.227
  532   1HB   TRP  68          2HB       TRP  68   6.293  -2.134   7.529
  533   2HB   TRP  68          3HB       TRP  68   7.094  -3.694   7.662
  534    HD1  TRP  68           1HD      TRP  68   5.486  -5.524   7.219
  535    HE1  TRP  68           1HE      TRP  68   3.018  -6.034   7.709
  536    HE3  TRP  68           3HE      TRP  68   4.230  -1.218   9.676
  537    HZ2  TRP  68           2HZ      TRP  68   0.836  -4.800   8.976
  538    HZ3  TRP  68           3HZ      TRP  68   1.923  -0.970  10.495
  539    HH2  TRP  68           2HH      TRP  68   0.262  -2.723  10.150
  540    HA   PRO  69           HA       PRO  69  11.282  -2.971   9.700
  541   1HB   PRO  69          2HB       PRO  69  11.246  -5.755   8.786
  542   2HB   PRO  69          3HB       PRO  69  11.991  -5.068  10.231
  543   1HG   PRO  69          2HG       PRO  69   9.821  -6.676  10.347
  544   2HG   PRO  69          3HG       PRO  69  10.101  -5.368  11.510
  545   1HD   PRO  69          2HD       PRO  69   8.277  -5.439   9.140
  546   2HD   PRO  69          3HD       PRO  69   8.004  -4.748  10.753
  547    H    THR  70           HN       THR  70   9.203  -4.548   7.374
  548    HA   THR  70           HA       THR  70  10.490  -3.161   5.147
  549    HB   THR  70           HB       THR  70  10.429  -5.241   3.761
  550    HG1  THR  70           1HG      THR  70   9.256  -6.233   5.969
  551   1HG2  THR  70          1HG2      THR  70  12.270  -4.892   6.077
  552   2HG2  THR  70          2HG2      THR  70  12.602  -4.795   4.344
  553   3HG2  THR  70          3HG2      THR  70  12.399  -6.367   5.118
  554    H    PHE  71           HN       PHE  71   8.635  -5.425   3.727
  555    HA   PHE  71           HA       PHE  71   6.074  -4.142   4.335
  556   1HB   PHE  71          2HB       PHE  71   7.137  -4.475   1.511
  557   2HB   PHE  71          3HB       PHE  71   5.592  -3.770   1.963
  558    HD1  PHE  71           1HD      PHE  71   5.410  -1.469   2.382
  559    HD2  PHE  71           2HD      PHE  71   9.252  -3.286   2.232
  560    HE1  PHE  71           1HE      PHE  71   6.462   0.754   2.450
  561    HE2  PHE  71           2HE      PHE  71  10.303  -1.075   2.297
  562    HZ   PHE  71           HZ       PHE  71   8.907   0.951   2.386
  563    HA   PRO  72           HA       PRO  72   4.613  -4.729   1.488
  564   1HB   PRO  72          2HB       PRO  72   2.078  -5.698   1.485
  565   2HB   PRO  72          3HB       PRO  72   3.341  -6.283   0.399
  566   1HG   PRO  72          2HG       PRO  72   2.332  -7.472   2.946
  567   2HG   PRO  72          3HG       PRO  72   2.760  -8.275   1.425
  568   1HD   PRO  72          2HD       PRO  72   4.399  -8.233   3.581
  569   2HD   PRO  72          3HD       PRO  72   5.005  -8.285   1.914
  570    H    GLN  73           HN       GLN  73   3.306  -2.981   1.849
  571    HA   GLN  73           HA       GLN  73   1.796  -2.825   4.359
  572   1HB   GLN  73          2HB       GLN  73   3.603  -0.585   3.440
  573   2HB   GLN  73          3HB       GLN  73   2.610  -0.629   4.881
  574   1HG   GLN  73          2HG       GLN  73   4.035  -2.332   5.847
  575   2HG   GLN  73          3HG       GLN  73   5.025  -2.346   4.383
  576   1HE2  GLN  73          1HE2      GLN  73   4.008   0.748   4.771
  577   2HE2  GLN  73          2HE2      GLN  73   5.348   1.393   5.645
  578    H    LEU  74           HN       LEU  74  -0.109  -1.871   4.025
  579    HA   LEU  74           HA       LEU  74  -0.668  -0.686   1.411
  580   1HB   LEU  74          2HB       LEU  74  -2.066  -2.545   2.241
  581   2HB   LEU  74          3HB       LEU  74  -2.528  -1.574   3.619
  582    HG   LEU  74           HG       LEU  74  -4.266  -1.768   1.819
  583   1HD1  LEU  74          1HD1      LEU  74  -5.093   0.108   2.655
  584   2HD1  LEU  74          2HD1      LEU  74  -3.497   0.512   3.287
  585   3HD1  LEU  74          3HD1      LEU  74  -3.976   1.068   1.682
  586   1HD2  LEU  74          1HD2      LEU  74  -2.873  -1.723  -0.128
  587   2HD2  LEU  74          2HD2      LEU  74  -3.967  -0.341  -0.180
  588   3HD2  LEU  74          3HD2      LEU  74  -2.280  -0.113   0.281
  589    H    TRP  75           HN       TRP  75  -1.245   1.415   1.167
  590    HA   TRP  75           HA       TRP  75  -1.399   3.076   3.591
  591   1HB   TRP  75          2HB       TRP  75  -0.102   3.754   0.950
  592   2HB   TRP  75          3HB       TRP  75  -0.363   4.901   2.253
  593    HD1  TRP  75           1HD      TRP  75   1.678   1.684   1.528
  594    HE1  TRP  75           1HE      TRP  75   3.752   1.740   3.062
  595    HE3  TRP  75           3HE      TRP  75   0.551   5.835   4.264
  596    HZ2  TRP  75           2HZ      TRP  75   4.743   3.317   5.174
  597    HZ3  TRP  75           3HZ      TRP  75   2.104   6.546   6.032
  598    HH2  TRP  75           2HH      TRP  75   4.157   5.311   6.474
  599    H    VAL  76           HN       VAL  76  -3.082   4.386   3.743
  600    HA   VAL  76           HA       VAL  76  -4.827   4.728   1.375
  601    HB   VAL  76           HB       VAL  76  -5.606   4.641   4.303
  602   1HG1  VAL  76          1HG1      VAL  76  -7.111   5.275   1.826
  603   2HG1  VAL  76          2HG1      VAL  76  -7.934   4.371   3.103
  604   3HG1  VAL  76          3HG1      VAL  76  -7.246   5.961   3.446
  605   1HG2  VAL  76          1HG2      VAL  76  -6.553   2.512   3.905
  606   2HG2  VAL  76          2HG2      VAL  76  -6.280   2.642   2.167
  607   3HG2  VAL  76          3HG2      VAL  76  -4.911   2.468   3.264
  608    H    ASP  77           HN       ASP  77  -4.823   6.849   0.698
  609    HA   ASP  77           HA       ASP  77  -4.619   9.141   0.697
  610   1HB   ASP  77          2HB       ASP  77  -6.623   8.938   2.062
  611   2HB   ASP  77          3HB       ASP  77  -5.628   8.692   3.491
  612    H    GLY  78           HN       GLY  78  -2.485   7.389   1.623
  613   1HA   GLY  78          1HA       GLY  78  -0.230   7.737   2.041
  614   2HA   GLY  78          2HA       GLY  78  -0.602   9.395   2.468
  615    H    GLU  79           HN       GLU  79  -2.259   6.708   3.957
  616    HA   GLU  79           HA       GLU  79  -0.589   7.003   6.342
  617   1HB   GLU  79          2HB       GLU  79  -3.592   6.786   6.341
  618   2HB   GLU  79          3HB       GLU  79  -2.582   6.665   7.773
  619   1HG   GLU  79          2HG       GLU  79  -1.752   8.970   7.287
  620   2HG   GLU  79          3HG       GLU  79  -2.957   9.065   6.002
  621    H    LEU  80           HN       LEU  80   0.026   5.181   7.320
  622    HA   LEU  80           HA       LEU  80  -0.179   2.788   5.841
  623   1HB   LEU  80          2HB       LEU  80   1.824   3.301   7.057
  624   2HB   LEU  80          3HB       LEU  80   0.946   3.382   8.578
  625    HG   LEU  80           HG       LEU  80   0.428   0.946   8.313
  626   1HD1  LEU  80          1HD1      LEU  80   0.675   0.230   6.199
  627   2HD1  LEU  80          2HD1      LEU  80   1.957   1.388   5.841
  628   3HD1  LEU  80          3HD1      LEU  80   2.326  -0.083   6.741
  629   1HD2  LEU  80          1HD2      LEU  80   3.381   1.188   8.290
  630   2HD2  LEU  80          2HD2      LEU  80   2.489   2.113   9.498
  631   3HD2  LEU  80          3HD2      LEU  80   2.321   0.359   9.428
  632    H    VAL  81           HN       VAL  81  -1.492   1.143   5.959
  633    HA   VAL  81           HA       VAL  81  -3.271   0.865   8.293
  634    HB   VAL  81           HB       VAL  81  -3.601  -0.272   5.502
  635   1HG1  VAL  81          1HG1      VAL  81  -4.982  -0.816   8.054
  636   2HG1  VAL  81          2HG1      VAL  81  -6.003  -0.624   6.628
  637   3HG1  VAL  81          3HG1      VAL  81  -4.739  -1.856   6.648
  638   1HG2  VAL  81          1HG2      VAL  81  -4.039   2.137   5.634
  639   2HG2  VAL  81          2HG2      VAL  81  -5.510   1.216   5.309
  640   3HG2  VAL  81          3HG2      VAL  81  -5.201   1.844   6.928
  641    H    GLY  82           HN       GLY  82  -1.480  -1.042   5.879
  642   1HA   GLY  82          1HA       GLY  82   0.252  -2.561   7.108
  643   2HA   GLY  82          2HA       GLY  82  -1.214  -3.264   7.787
  644    H    GLY  83           HN       GLY  83   0.986  -4.081   5.660
  645   1HA   GLY  83          1HA       GLY  83  -0.582  -4.208   3.278
  646   2HA   GLY  83          2HA       GLY  83   1.053  -4.788   3.469
  647    H    CYS  84           HN       CYS  84   1.101  -6.962   4.872
  648    HA   CYS  84           HA       CYS  84  -0.362  -8.692   3.160
  649   1HB   CYS  84          2HB       CYS  84   0.850 -10.528   4.342
  650   2HB   CYS  84          3HB       CYS  84   1.884  -9.273   3.673
  651    HG   CYS  84           HG       CYS  84   1.338 -10.082   6.906
  652    H    ASP  85           HN       ASP  85  -0.304  -8.611   6.726
  653    HA   ASP  85           HA       ASP  85  -2.590 -10.347   6.883
  654   1HB   ASP  85          2HB       ASP  85  -1.164  -8.753   9.023
  655   2HB   ASP  85          3HB       ASP  85  -2.452  -9.908   9.335
  656    H    ILE  86           HN       ILE  86  -1.965  -6.954   7.541
  657    HA   ILE  86           HA       ILE  86  -4.444  -6.401   8.633
  658    HB   ILE  86           HB       ILE  86  -2.659  -4.444   7.186
  659   1HG1  ILE  86          2HG1      ILE  86  -1.465  -5.671   8.962
  660   2HG1  ILE  86          3HG1      ILE  86  -1.712  -3.987   9.404
  661   1HG2  ILE  86          1HG2      ILE  86  -5.076  -3.814   7.738
  662   2HG2  ILE  86          2HG2      ILE  86  -4.574  -3.867   9.428
  663   3HG2  ILE  86          3HG2      ILE  86  -3.803  -2.737   8.314
  664   1HD1  ILE  86          1HD1      ILE  86  -3.886  -5.602  10.357
  665   2HD1  ILE  86          2HD1      ILE  86  -2.338  -6.245  10.903
  666   3HD1  ILE  86          3HD1      ILE  86  -2.768  -4.571  11.252
  667    H    VAL  87           HN       VAL  87  -3.419  -6.102   5.224
  668    HA   VAL  87           HA       VAL  87  -5.784  -4.909   4.293
  669    HB   VAL  87           HB       VAL  87  -3.850  -6.715   2.835
  670   1HG1  VAL  87          1HG1      VAL  87  -6.341  -6.479   1.982
  671   2HG1  VAL  87          2HG1      VAL  87  -5.740  -4.932   1.387
  672   3HG1  VAL  87          3HG1      VAL  87  -4.979  -6.436   0.864
  673   1HG2  VAL  87          1HG2      VAL  87  -3.875  -3.933   3.556
  674   2HG2  VAL  87          2HG2      VAL  87  -2.602  -4.881   2.787
  675   3HG2  VAL  87          3HG2      VAL  87  -3.852  -4.118   1.803
  676    H    ILE  88           HN       ILE  88  -4.902  -8.366   4.516
  677    HA   ILE  88           HA       ILE  88  -7.323  -9.376   3.508
  678    HB   ILE  88           HB       ILE  88  -5.404 -10.596   5.497
  679   1HG1  ILE  88          2HG1      ILE  88  -4.493 -10.218   3.242
  680   2HG1  ILE  88          3HG1      ILE  88  -4.677 -11.939   3.575
  681   1HG2  ILE  88          1HG2      ILE  88  -7.607 -12.022   4.009
  682   2HG2  ILE  88          2HG2      ILE  88  -6.530 -12.687   5.239
  683   3HG2  ILE  88          3HG2      ILE  88  -7.744 -11.485   5.685
  684   1HD1  ILE  88          1HD1      ILE  88  -6.879 -11.802   2.340
  685   2HD1  ILE  88          2HD1      ILE  88  -6.367 -10.197   1.813
  686   3HD1  ILE  88          3HD1      ILE  88  -5.412 -11.615   1.370
  687    H    GLU  89           HN       GLU  89  -6.301  -8.716   6.859
  688    HA   GLU  89           HA       GLU  89  -8.709  -9.553   8.037
  689   1HB   GLU  89          2HB       GLU  89  -6.620  -9.139   9.302
  690   2HB   GLU  89          3HB       GLU  89  -6.825  -7.411   9.040
  691   1HG   GLU  89          2HG       GLU  89  -8.968  -7.519  10.271
  692   2HG   GLU  89          3HG       GLU  89  -8.654  -9.224  10.593
  693    H    MET  90           HN       MET  90  -7.649  -6.233   7.234
  694    HA   MET  90           HA       MET  90 -10.026  -4.929   7.915
  695   1HB   MET  90          2HB       MET  90  -7.922  -4.223   5.875
  696   2HB   MET  90          3HB       MET  90  -9.261  -3.159   6.279
  697   1HG   MET  90          2HG       MET  90  -7.164  -4.156   8.191
  698   2HG   MET  90          3HG       MET  90  -7.231  -2.550   7.466
  699   1HE   MET  90          1HE       MET  90  -7.786  -2.738  11.274
  700   2HE   MET  90          2HE       MET  90  -6.662  -2.449   9.947
  701   3HE   MET  90          3HE       MET  90  -7.762  -1.171  10.467
  702    H    TYR  91           HN       TYR  91  -9.109  -6.592   4.990
  703    HA   TYR  91           HA       TYR  91 -11.284  -5.893   3.349
  704   1HB   TYR  91          2HB       TYR  91  -9.523  -6.932   2.261
  705   2HB   TYR  91          3HB       TYR  91  -9.316  -8.134   3.522
  706    HD1  TYR  91           1HD      TYR  91 -11.789  -7.180   0.847
  707    HD2  TYR  91           2HD      TYR  91  -9.932 -10.248   3.125
  708    HE1  TYR  91           1HE      TYR  91 -12.917  -8.880  -0.523
  709    HE2  TYR  91           2HE      TYR  91 -11.029 -11.948   1.771
  710    HH   TYR  91           HH       TYR  91 -13.631 -11.327  -0.202
  711    H    GLN  92           HN       GLN  92 -10.788  -8.659   5.513
  712    HA   GLN  92           HA       GLN  92 -13.367  -9.752   5.129
  713   1HB   GLN  92          2HB       GLN  92 -11.490 -10.091   7.472
  714   2HB   GLN  92          3HB       GLN  92 -12.880 -11.109   7.118
  715   1HG   GLN  92          2HG       GLN  92 -11.831 -11.766   4.994
  716   2HG   GLN  92          3HG       GLN  92 -10.420 -10.786   5.410
  717   1HE2  GLN  92          1HE2      GLN  92 -11.590 -13.815   5.356
  718   2HE2  GLN  92          2HE2      GLN  92 -10.632 -14.537   6.604
  719    H    ARG  93           HN       ARG  93 -12.009  -7.604   7.593
  720    HA   ARG  93           HA       ARG  93 -14.266  -7.324   9.262
  721   1HB   ARG  93          2HB       ARG  93 -12.211  -5.197   8.596
  722   2HB   ARG  93          3HB       ARG  93 -13.218  -5.266  10.028
  723   1HG   ARG  93          2HG       ARG  93 -11.095  -7.268   9.317
  724   2HG   ARG  93          3HG       ARG  93 -10.879  -5.917  10.431
  725   1HD   ARG  93          2HD       ARG  93 -12.918  -8.109  10.792
  726   2HD   ARG  93          3HD       ARG  93 -11.325  -8.101  11.543
  727    HE   ARG  93           HE       ARG  93 -13.623  -6.716  12.446
  728   1HH1  ARG  93          2HH1      ARG  93 -10.136  -6.416  12.213
  729   2HH1  ARG  93          1HH1      ARG  93 -10.024  -5.208  13.451
  730   1HH2  ARG  93          2HH2      ARG  93 -13.469  -5.159  14.114
  731   2HH2  ARG  93          1HH2      ARG  93 -11.923  -4.498  14.537
  732    H    GLY  94           HN       GLY  94 -13.313  -5.885   6.257
  733   1HA   GLY  94          1HA       GLY  94 -14.572  -4.805   4.650
  734   2HA   GLY  94          2HA       GLY  94 -15.955  -4.838   5.737
  735    H    GLU  95           HN       GLU  95 -12.964  -3.665   6.962
  736    HA   GLU  95           HA       GLU  95 -14.010  -0.939   7.088
  737   1HB   GLU  95          2HB       GLU  95 -11.493  -2.118   8.279
  738   2HB   GLU  95          3HB       GLU  95 -12.032  -0.459   8.496
  739   1HG   GLU  95          2HG       GLU  95 -14.082  -1.318   9.585
  740   2HG   GLU  95          3HG       GLU  95 -13.422  -2.949   9.456
  741    H    LEU  96           HN       LEU  96 -11.635  -2.832   5.497
  742    HA   LEU  96           HA       LEU  96  -9.818  -0.889   4.661
  743   1HB   LEU  96          2HB       LEU  96  -9.424  -3.324   4.553
  744   2HB   LEU  96          3HB       LEU  96 -10.617  -3.453   3.277
  745    HG   LEU  96           HG       LEU  96  -9.183  -2.051   1.825
  746   1HD1  LEU  96          1HD1      LEU  96  -7.495  -0.881   2.659
  747   2HD1  LEU  96          2HD1      LEU  96  -7.846  -1.521   4.263
  748   3HD1  LEU  96          3HD1      LEU  96  -6.715  -2.364   3.204
  749   1HD2  LEU  96          1HD2      LEU  96  -8.326  -3.952   1.070
  750   2HD2  LEU  96          2HD2      LEU  96  -7.243  -4.075   2.458
  751   3HD2  LEU  96          3HD2      LEU  96  -8.877  -4.730   2.557
  752    H    GLN  97           HN       GLN  97 -12.453  -2.380   2.892
  753    HA   GLN  97           HA       GLN  97 -12.446  -0.666   0.671
  754   1HB   GLN  97          2HB       GLN  97 -14.822  -1.476   0.424
  755   2HB   GLN  97          3HB       GLN  97 -13.583  -2.718   0.473
  756   1HG   GLN  97          2HG       GLN  97 -14.108  -3.060   2.878
  757   2HG   GLN  97          3HG       GLN  97 -15.429  -1.906   2.707
  758   1HE2  GLN  97          1HE2      GLN  97 -14.649  -5.095   2.704
  759   2HE2  GLN  97          2HE2      GLN  97 -15.985  -5.733   1.810
  760    H    GLN  98           HN       GLN  98 -13.652  -0.261   3.887
  761    HA   GLN  98           HA       GLN  98 -15.503   1.830   3.336
  762   1HB   GLN  98          2HB       GLN  98 -14.096   0.950   5.845
  763   2HB   GLN  98          3HB       GLN  98 -15.180   2.316   5.821
  764   1HG   GLN  98          2HG       GLN  98 -15.869  -0.527   5.159
  765   2HG   GLN  98          3HG       GLN  98 -16.322   0.357   6.614
  766   1HE2  GLN  98          1HE2      GLN  98 -17.519  -0.789   3.871
  767   2HE2  GLN  98          2HE2      GLN  98 -18.788   0.354   3.563
  768    H    LEU  99           HN       LEU  99 -12.215   1.865   4.704
  769    HA   LEU  99           HA       LEU  99 -12.066   4.689   4.527
  770   1HB   LEU  99          2HB       LEU  99  -9.623   4.333   5.086
  771   2HB   LEU  99          3HB       LEU  99 -10.816   3.836   6.264
  772    HG   LEU  99           HG       LEU  99 -10.520   1.481   5.388
  773   1HD1  LEU  99          1HD1      LEU  99  -7.848   1.785   4.495
  774   2HD1  LEU  99          2HD1      LEU  99  -9.228   1.072   3.655
  775   3HD1  LEU  99          3HD1      LEU  99  -8.896   2.798   3.499
  776   1HD2  LEU  99          1HD2      LEU  99  -9.568   1.677   7.427
  777   2HD2  LEU  99          2HD2      LEU  99  -8.095   1.446   6.484
  778   3HD2  LEU  99          3HD2      LEU  99  -8.591   3.071   6.963
  779    H    ILE 100           HN       ILE 100 -11.014   2.089   2.384
  780    HA   ILE 100           HA       ILE 100  -9.501   3.728   0.620
  781    HB   ILE 100           HB       ILE 100 -11.068   1.227  -0.065
  782   1HG1  ILE 100          2HG1      ILE 100  -9.312   0.850   1.640
  783   2HG1  ILE 100          3HG1      ILE 100  -8.943   0.048   0.117
  784   1HG2  ILE 100          1HG2      ILE 100  -9.755   3.116  -1.731
  785   2HG2  ILE 100          2HG2      ILE 100  -8.803   1.631  -1.740
  786   3HG2  ILE 100          3HG2      ILE 100 -10.508   1.587  -2.186
  787   1HD1  ILE 100          1HD1      ILE 100  -7.165   1.469   1.491
  788   2HD1  ILE 100          2HD1      ILE 100  -7.127   1.329  -0.266
  789   3HD1  ILE 100          3HD1      ILE 100  -7.835   2.756   0.490
  790    H    LYS 101           HN       LYS 101 -12.917   2.801   0.735
  791    HA   LYS 101           HA       LYS 101 -13.932   3.891  -1.567
  792   1HB   LYS 101          2HB       LYS 101 -15.286   2.656  -0.016
  793   2HB   LYS 101          3HB       LYS 101 -15.064   3.874   1.232
  794   1HG   LYS 101          2HG       LYS 101 -16.170   5.404  -0.630
  795   2HG   LYS 101          3HG       LYS 101 -16.852   3.855  -1.118
  796   1HD   LYS 101          2HD       LYS 101 -17.062   5.150   1.598
  797   2HD   LYS 101          3HD       LYS 101 -18.363   4.943   0.428
  798   1HE   LYS 101          2HE       LYS 101 -18.256   2.539   0.684
  799   2HE   LYS 101          3HE       LYS 101 -16.868   2.689   1.764
  800   1HZ   LYS 101          1HZ       LYS 101 -19.419   4.036   2.403
  801   2HZ   LYS 101          2HZ       LYS 101 -18.166   3.575   3.447
  802   3HZ   LYS 101          3HZ       LYS 101 -19.195   2.396   2.787
  803    H    GLU 102           HN       GLU 102 -13.769   5.486   1.567
  804    HA   GLU 102           HA       GLU 102 -14.707   7.959   0.712
  805   1HB   GLU 102          2HB       GLU 102 -14.678   7.213   3.052
  806   2HB   GLU 102          3HB       GLU 102 -12.925   7.324   3.070
  807   1HG   GLU 102          2HG       GLU 102 -13.036   9.714   2.771
  808   2HG   GLU 102          3HG       GLU 102 -14.793   9.635   2.617
  809    H    THR 103           HN       THR 103 -11.387   6.812   1.179
  810    HA   THR 103           HA       THR 103 -10.131   9.241   0.487
  811    HB   THR 103           HB       THR 103  -9.049   6.432   0.401
  812    HG1  THR 103           1HG      THR 103  -9.091   8.459   2.411
  813   1HG2  THR 103          1HG2      THR 103  -6.868   7.442   0.521
  814   2HG2  THR 103          2HG2      THR 103  -7.583   9.054   0.566
  815   3HG2  THR 103          3HG2      THR 103  -7.719   8.069  -0.891
  816    H    ALA 104           HN       ALA 104 -10.692   6.281  -1.446
  817    HA   ALA 104           HA       ALA 104  -9.423   7.175  -3.769
  818   1HB   ALA 104          1HB       ALA 104  -9.898   5.059  -4.270
  819   2HB   ALA 104          2HB       ALA 104 -11.141   4.984  -3.019
  820   3HB   ALA 104          3HB       ALA 104 -11.545   5.577  -4.631
  821    H    ALA 105           HN       ALA 105 -12.804   7.431  -2.758
  822    HA   ALA 105           HA       ALA 105 -13.740   8.709  -5.078
  823   1HB   ALA 105          1HB       ALA 105 -15.001   9.240  -2.437
  824   2HB   ALA 105          2HB       ALA 105 -15.745   8.905  -4.000
  825   3HB   ALA 105          3HB       ALA 105 -15.001   7.596  -3.079
  826    H    LYS 106           HN       LYS 106 -12.564  10.085  -1.983
  827    HA   LYS 106           HA       LYS 106 -13.190  12.718  -2.763
  828   1HB   LYS 106          2HB       LYS 106 -11.833  13.510  -0.874
  829   2HB   LYS 106          3HB       LYS 106 -12.998  12.285  -0.422
  830   1HG   LYS 106          2HG       LYS 106 -11.067  11.811   0.791
  831   2HG   LYS 106          3HG       LYS 106 -11.119  10.632  -0.509
  832   1HD   LYS 106          2HD       LYS 106  -8.862  11.404  -0.187
  833   2HD   LYS 106          3HD       LYS 106  -9.448  11.945  -1.750
  834   1HE   LYS 106          2HE       LYS 106  -9.409  13.663   0.726
  835   2HE   LYS 106          3HE       LYS 106  -8.110  13.622  -0.459
  836   1HZ   LYS 106          1HZ       LYS 106 -10.373  14.089  -1.924
  837   2HZ   LYS 106          2HZ       LYS 106  -9.204  15.227  -1.495
  838   3HZ   LYS 106          3HZ       LYS 106 -10.588  15.033  -0.534
  839    H    TYR 107           HN       TYR 107 -10.443  10.729  -3.498
  840    HA   TYR 107           HA       TYR 107  -8.859  13.013  -4.295
  841   1HB   TYR 107          2HB       TYR 107  -8.435  10.055  -4.516
  842   2HB   TYR 107          3HB       TYR 107  -7.461  11.155  -5.481
  843    HD1  TYR 107           1HD      TYR 107  -8.001   9.743  -2.146
  844    HD2  TYR 107           2HD      TYR 107  -5.990  12.771  -4.374
  845    HE1  TYR 107           1HE      TYR 107  -6.480  10.096  -0.287
  846    HE2  TYR 107           2HE      TYR 107  -4.445  13.122  -2.507
  847    HH   TYR 107           HH       TYR 107  -4.975  11.707   0.610
  848    H    LYS 108           HN       LYS 108 -10.678  10.471  -5.942
  849    HA   LYS 108           HA       LYS 108 -10.279  11.807  -8.490
  850   1HB   LYS 108          2HB       LYS 108 -11.569   9.208  -7.759
  851   2HB   LYS 108          3HB       LYS 108 -11.427   9.820  -9.403
  852   1HG   LYS 108          2HG       LYS 108  -9.040   9.761  -9.300
  853   2HG   LYS 108          3HG       LYS 108  -9.079   9.350  -7.584
  854   1HD   LYS 108          2HD       LYS 108 -10.136   7.653  -9.837
  855   2HD   LYS 108          3HD       LYS 108  -8.626   7.388  -8.954
  856   1HE   LYS 108          2HE       LYS 108  -9.887   7.148  -6.880
  857   2HE   LYS 108          3HE       LYS 108 -11.388   7.403  -7.764
  858   1HZ   LYS 108          1HZ       LYS 108 -11.348   5.149  -7.747
  859   2HZ   LYS 108          2HZ       LYS 108  -9.655   5.059  -7.675
  860   3HZ   LYS 108          3HZ       LYS 108 -10.423   5.392  -9.153
  861    H    SER 109           HN       SER 109 -12.699  10.981  -9.662
  862    HA   SER 109           HA       SER 109 -14.394  13.138  -8.774
  863   1HB   SER 109          2HB       SER 109 -15.773  12.399 -10.733
  864   2HB   SER 109          3HB       SER 109 -14.178  13.057 -11.050
  865    HG   SER 109           HG       SER 109 -15.164  10.642 -11.704
  866    H    GLU 110           HN       GLU 110 -14.386  11.648  -6.868
  867    HA   GLU 110           HA       GLU 110 -15.534  10.435  -5.319
  868   1HB   GLU 110          2HB       GLU 110 -17.796  11.523  -6.989
  869   2HB   GLU 110          3HB       GLU 110 -18.022  10.725  -5.435
  870   1HG   GLU 110          2HG       GLU 110 -16.667  12.409  -4.341
  871   2HG   GLU 110          3HG       GLU 110 -16.351  13.185  -5.891
  872    H    GLU 111           HN       GLU 111 -14.419   8.834  -7.094
  873    HA   GLU 111           HA       GLU 111 -16.041   7.054  -8.505
  874   1HB   GLU 111          2HB       GLU 111 -13.281   6.759  -7.318
  875   2HB   GLU 111          3HB       GLU 111 -14.006   5.564  -8.406
  876   1HG   GLU 111          2HG       GLU 111 -13.419   8.453  -9.050
  877   2HG   GLU 111          3HG       GLU 111 -12.494   7.057  -9.590
  878    HA   PRO 112           HA       PRO 112 -17.831   4.581  -5.294
  879   1HB   PRO 112          2HB       PRO 112 -18.683   2.522  -6.840
  880   2HB   PRO 112          3HB       PRO 112 -19.483   4.097  -6.813
  881   1HG   PRO 112          2HG       PRO 112 -17.550   2.986  -8.803
  882   2HG   PRO 112          3HG       PRO 112 -19.020   3.939  -9.078
  883   1HD   PRO 112          2HD       PRO 112 -16.518   5.006  -9.147
  884   2HD   PRO 112          3HD       PRO 112 -17.956   5.929  -8.670
  885    H    ASP 113           HN       ASP 113 -16.977   3.197  -3.906
  886    HA   ASP 113           HA       ASP 113 -14.958   1.268  -4.848
  887   1HB   ASP 113          2HB       ASP 113 -13.949   3.143  -3.619
  888   2HB   ASP 113          3HB       ASP 113 -14.984   2.816  -2.245
  889    H    ALA 114           HN       ALA 114 -15.787   1.244  -1.514
  890    HA   ALA 114           HA       ALA 114 -16.708  -1.413  -1.585
  891   1HB   ALA 114          1HB       ALA 114 -16.307  -1.236   0.596
  892   2HB   ALA 114          2HB       ALA 114 -16.034   0.495   0.397
  893   3HB   ALA 114          3HB       ALA 114 -17.651  -0.106   0.763
  894    H    GLU 115           HN       GLU 115 -18.232   1.675  -1.672
  895    HA   GLU 115           HA       GLU 115 -20.858   0.501  -2.160
  896   1HB   GLU 115          2HB       GLU 115 -20.224   2.581  -0.049
  897   2HB   GLU 115          3HB       GLU 115 -21.829   2.036  -0.486
  898   1HG   GLU 115          2HG       GLU 115 -21.388  -0.159   0.370
  899   2HG   GLU 115          3HG       GLU 115 -19.697   0.250   0.648
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  23.284  10.279   4.179
    2   2H    MET   1          2H        MET   1  24.737   9.532   3.734
    3   3H    MET   1          3H        MET   1  23.575   8.667   4.618
    4    HA   MET   1           HA       MET   1  23.103   9.766   1.919
    5   1HB   MET   1          2HB       MET   1  23.411   7.334   1.210
    6   2HB   MET   1          3HB       MET   1  24.859   8.242   1.607
    7   1HG   MET   1          2HG       MET   1  25.088   6.070   2.527
    8   2HG   MET   1          3HG       MET   1  24.827   7.186   3.862
    9   1HE   MET   1          1HE       MET   1  21.561   5.290   1.724
   10   2HE   MET   1          2HE       MET   1  23.259   5.065   1.299
   11   3HE   MET   1          3HE       MET   1  22.408   3.826   2.224
   12    H    SER   2           HN       SER   2  21.342   9.947   4.138
   13    HA   SER   2           HA       SER   2  19.295   7.933   3.718
   14   1HB   SER   2          2HB       SER   2  17.942   9.431   5.235
   15   2HB   SER   2          3HB       SER   2  19.432   8.806   5.943
   16    HG   SER   2           HG       SER   2  20.200  10.755   6.067
   17    H    THR   3           HN       THR   3  17.606  10.699   4.016
   18    HA   THR   3           HA       THR   3  16.485  12.136   2.668
   19    HB   THR   3           HB       THR   3  18.453  11.371   0.500
   20    HG1  THR   3           1HG      THR   3  19.785  12.350   1.840
   21   1HG2  THR   3          1HG2      THR   3  17.704  13.151  -0.738
   22   2HG2  THR   3          2HG2      THR   3  17.141  14.039   0.678
   23   3HG2  THR   3          3HG2      THR   3  16.196  12.689   0.048
   24    H    THR   4           HN       THR   4  17.031   8.875   1.646
   25    HA   THR   4           HA       THR   4  15.432   8.558  -0.553
   26    HB   THR   4           HB       THR   4  15.615   6.623   1.768
   27    HG1  THR   4           1HG      THR   4  17.575   6.114   1.074
   28   1HG2  THR   4          1HG2      THR   4  15.613   5.115  -0.480
   29   2HG2  THR   4          2HG2      THR   4  14.574   6.449  -0.986
   30   3HG2  THR   4          3HG2      THR   4  14.164   5.502   0.445
   31    H    ILE   5           HN       ILE   5  14.411   8.347   2.860
   32    HA   ILE   5           HA       ILE   5  11.690   7.863   2.377
   33    HB   ILE   5           HB       ILE   5  13.132   9.008   4.757
   34   1HG1  ILE   5          2HG1      ILE   5  11.545   6.473   4.482
   35   2HG1  ILE   5          3HG1      ILE   5  13.266   6.540   4.081
   36   1HG2  ILE   5          1HG2      ILE   5  10.192   8.387   4.526
   37   2HG2  ILE   5          2HG2      ILE   5  11.047   8.821   6.008
   38   3HG2  ILE   5          3HG2      ILE   5  10.897   9.995   4.700
   39   1HD1  ILE   5          1HD1      ILE   5  12.995   5.677   6.302
   40   2HD1  ILE   5          2HD1      ILE   5  13.703   7.288   6.410
   41   3HD1  ILE   5          3HD1      ILE   5  11.992   7.052   6.759
   42    H    GLU   6           HN       GLU   6  13.483  10.901   2.623
   43    HA   GLU   6           HA       GLU   6  11.373  12.675   2.903
   44   1HB   GLU   6          2HB       GLU   6  13.846  13.112   1.216
   45   2HB   GLU   6          3HB       GLU   6  12.809  14.365   1.883
   46   1HG   GLU   6          2HG       GLU   6  14.535  12.445   3.428
   47   2HG   GLU   6          3HG       GLU   6  14.811  14.171   3.200
   48    H    LYS   7           HN       LYS   7  12.751  11.358  -0.085
   49    HA   LYS   7           HA       LYS   7  10.818  12.551  -1.812
   50   1HB   LYS   7          2HB       LYS   7  12.683  10.211  -2.187
   51   2HB   LYS   7          3HB       LYS   7  11.600  10.792  -3.445
   52   1HG   LYS   7          2HG       LYS   7  13.773  12.404  -2.126
   53   2HG   LYS   7          3HG       LYS   7  13.865  11.651  -3.720
   54   1HD   LYS   7          2HD       LYS   7  11.943  13.007  -4.448
   55   2HD   LYS   7          3HD       LYS   7  11.916  13.791  -2.867
   56   1HE   LYS   7          2HE       LYS   7  13.054  15.191  -4.481
   57   2HE   LYS   7          3HE       LYS   7  14.189  14.620  -3.257
   58   1HZ   LYS   7          1HZ       LYS   7  14.345  14.331  -6.033
   59   2HZ   LYS   7          2HZ       LYS   7  14.167  12.781  -5.372
   60   3HZ   LYS   7          3HZ       LYS   7  15.436  13.777  -4.859
   61    H    ILE   8           HN       ILE   8  11.127   9.383  -0.254
   62    HA   ILE   8           HA       ILE   8   8.984   8.145  -1.502
   63    HB   ILE   8           HB       ILE   8  10.158   7.680   1.229
   64   1HG1  ILE   8          2HG1      ILE   8  10.460   6.213  -1.398
   65   2HG1  ILE   8          3HG1      ILE   8  11.630   7.347  -0.730
   66   1HG2  ILE   8          1HG2      ILE   8   8.778   5.424   0.083
   67   2HG2  ILE   8          2HG2      ILE   8   8.631   6.148   1.687
   68   3HG2  ILE   8          3HG2      ILE   8   7.687   6.786   0.342
   69   1HD1  ILE   8          1HD1      ILE   8  12.565   5.738   0.449
   70   2HD1  ILE   8          2HD1      ILE   8  11.022   5.349   1.213
   71   3HD1  ILE   8          3HD1      ILE   8  11.467   4.585  -0.313
   72    H    GLN   9           HN       GLN   9   8.965  10.048   1.524
   73    HA   GLN   9           HA       GLN   9   6.267   9.543   2.106
   74   1HB   GLN   9          2HB       GLN   9   8.051  11.838   2.878
   75   2HB   GLN   9          3HB       GLN   9   6.381  11.731   3.415
   76   1HG   GLN   9          2HG       GLN   9   6.895   9.580   4.486
   77   2HG   GLN   9          3HG       GLN   9   8.580   9.762   3.997
   78   1HE2  GLN   9          1HE2      GLN   9   9.752  10.286   5.694
   79   2HE2  GLN   9          2HE2      GLN   9   9.325  11.450   6.912
   80    H    ARG  10           HN       ARG  10   7.761  12.103   0.221
   81    HA   ARG  10           HA       ARG  10   5.390  13.533  -0.338
   82   1HB   ARG  10          2HB       ARG  10   7.834  13.243  -2.094
   83   2HB   ARG  10          3HB       ARG  10   6.620  14.505  -2.205
   84   1HG   ARG  10          2HG       ARG  10   8.500  14.074   0.108
   85   2HG   ARG  10          3HG       ARG  10   8.682  15.288  -1.152
   86   1HD   ARG  10          2HD       ARG  10   7.787  16.339   0.804
   87   2HD   ARG  10          3HD       ARG  10   6.527  16.287  -0.424
   88    HE   ARG  10           HE       ARG  10   6.197  14.038   1.164
   89   1HH1  ARG  10          2HH1      ARG  10   6.129  17.503   1.582
   90   2HH1  ARG  10          1HH1      ARG  10   4.938  17.465   2.844
   91   1HH2  ARG  10          2HH2      ARG  10   4.598  13.967   2.815
   92   2HH2  ARG  10          1HH2      ARG  10   4.065  15.455   3.539
   93    H    GLN  11           HN       GLN  11   6.909  10.720  -1.739
   94    HA   GLN  11           HA       GLN  11   5.311  10.523  -4.083
   95   1HB   GLN  11          2HB       GLN  11   7.454   9.407  -3.939
   96   2HB   GLN  11          3HB       GLN  11   6.906   8.450  -2.571
   97   1HG   GLN  11          2HG       GLN  11   5.265   7.344  -4.015
   98   2HG   GLN  11          3HG       GLN  11   5.855   8.283  -5.386
   99   1HE2  GLN  11          1HE2      GLN  11   6.060   5.384  -3.875
  100   2HE2  GLN  11          2HE2      GLN  11   7.599   4.860  -4.458
  101    H    ILE  12           HN       ILE  12   5.113   8.990  -0.914
  102    HA   ILE  12           HA       ILE  12   2.913   7.321  -1.474
  103    HB   ILE  12           HB       ILE  12   3.720   8.482   1.206
  104   1HG1  ILE  12          2HG1      ILE  12   4.530   5.907  -0.165
  105   2HG1  ILE  12          3HG1      ILE  12   5.579   7.263   0.241
  106   1HG2  ILE  12          1HG2      ILE  12   2.395   6.876   2.246
  107   2HG2  ILE  12          2HG2      ILE  12   1.390   7.448   0.913
  108   3HG2  ILE  12          3HG2      ILE  12   2.246   5.908   0.780
  109   1HD1  ILE  12          1HD1      ILE  12   5.789   5.322   1.758
  110   2HD1  ILE  12          2HD1      ILE  12   5.357   6.832   2.566
  111   3HD1  ILE  12          3HD1      ILE  12   4.124   5.605   2.274
  112    H    ALA  13           HN       ALA  13   3.184  10.553  -0.205
  113    HA   ALA  13           HA       ALA  13   0.499  11.031   0.417
  114   1HB   ALA  13          1HB       ALA  13   1.956  12.619   1.264
  115   2HB   ALA  13          2HB       ALA  13   2.805  12.809  -0.269
  116   3HB   ALA  13          3HB       ALA  13   1.189  13.486  -0.066
  117    H    GLU  14           HN       GLU  14   2.230  11.181  -2.644
  118    HA   GLU  14           HA       GLU  14   0.416  12.684  -4.140
  119   1HB   GLU  14          2HB       GLU  14   2.009  10.342  -5.189
  120   2HB   GLU  14          3HB       GLU  14   1.377  11.687  -6.120
  121   1HG   GLU  14          2HG       GLU  14   2.909  13.184  -4.848
  122   2HG   GLU  14          3HG       GLU  14   3.597  11.750  -4.103
  123    H    ASN  15           HN       ASN  15   0.663   9.164  -3.780
  124    HA   ASN  15           HA       ASN  15  -1.564   8.712  -5.492
  125   1HB   ASN  15          2HB       ASN  15  -0.020   6.821  -3.714
  126   2HB   ASN  15          3HB       ASN  15  -1.228   6.322  -4.895
  127   1HD2  ASN  15          1HD2      ASN  15   1.985   6.668  -4.400
  128   2HD2  ASN  15          2HD2      ASN  15   2.526   6.822  -6.039
  129    HA   PRO  16           HA       PRO  16  -4.926   9.139  -2.614
  130   1HB   PRO  16          2HB       PRO  16  -6.191   7.287  -4.577
  131   2HB   PRO  16          3HB       PRO  16  -6.784   8.840  -3.973
  132   1HG   PRO  16          2HG       PRO  16  -5.803   8.656  -6.425
  133   2HG   PRO  16          3HG       PRO  16  -5.385  10.053  -5.410
  134   1HD   PRO  16          2HD       PRO  16  -3.759   7.617  -6.046
  135   2HD   PRO  16          3HD       PRO  16  -3.252   9.316  -5.960
  136    H    ILE  17           HN       ILE  17  -4.219   6.031  -4.106
  137    HA   ILE  17           HA       ILE  17  -4.602   4.703  -1.507
  138    HB   ILE  17           HB       ILE  17  -5.438   3.514  -4.164
  139   1HG1  ILE  17          2HG1      ILE  17  -6.912   5.428  -3.648
  140   2HG1  ILE  17          3HG1      ILE  17  -7.762   3.891  -3.551
  141   1HG2  ILE  17          1HG2      ILE  17  -4.887   1.857  -2.535
  142   2HG2  ILE  17          2HG2      ILE  17  -5.873   2.660  -1.311
  143   3HG2  ILE  17          3HG2      ILE  17  -6.643   1.901  -2.707
  144   1HD1  ILE  17          1HD1      ILE  17  -8.474   4.480  -1.534
  145   2HD1  ILE  17          2HD1      ILE  17  -6.807   4.464  -0.959
  146   3HD1  ILE  17          3HD1      ILE  17  -7.507   5.960  -1.595
  147    H    LEU  18           HN       LEU  18  -2.711   3.674  -1.022
  148    HA   LEU  18           HA       LEU  18  -1.015   2.905  -3.297
  149   1HB   LEU  18          2HB       LEU  18  -0.422   5.109  -2.244
  150   2HB   LEU  18          3HB       LEU  18  -0.027   4.230  -0.782
  151    HG   LEU  18           HG       LEU  18   1.746   3.024  -1.965
  152   1HD1  LEU  18          1HD1      LEU  18   0.734   4.592  -4.324
  153   2HD1  LEU  18          2HD1      LEU  18   2.352   3.894  -4.269
  154   3HD1  LEU  18          3HD1      LEU  18   0.937   2.846  -4.175
  155   1HD2  LEU  18          1HD2      LEU  18   1.862   6.018  -2.378
  156   2HD2  LEU  18          2HD2      LEU  18   2.217   5.181  -0.867
  157   3HD2  LEU  18          3HD2      LEU  18   3.244   4.926  -2.279
  158    H    LEU  19           HN       LEU  19   0.212   1.140  -3.082
  159    HA   LEU  19           HA       LEU  19   0.059  -0.403  -0.585
  160   1HB   LEU  19          2HB       LEU  19  -1.646  -1.377  -1.847
  161   2HB   LEU  19          3HB       LEU  19  -0.796  -1.138  -3.359
  162    HG   LEU  19           HG       LEU  19   0.770  -2.933  -2.754
  163   1HD1  LEU  19          1HD1      LEU  19  -0.652  -4.318  -0.765
  164   2HD1  LEU  19          2HD1      LEU  19   0.948  -3.586  -0.625
  165   3HD1  LEU  19          3HD1      LEU  19  -0.487  -2.663  -0.174
  166   1HD2  LEU  19          1HD2      LEU  19  -2.110  -3.802  -2.602
  167   2HD2  LEU  19          2HD2      LEU  19  -1.275  -3.313  -4.080
  168   3HD2  LEU  19          3HD2      LEU  19  -0.735  -4.740  -3.192
  169    H    TYR  20           HN       TYR  20   2.082  -0.925   0.023
  170    HA   TYR  20           HA       TYR  20   4.123  -1.103  -2.073
  171   1HB   TYR  20          2HB       TYR  20   4.271  -0.686   0.891
  172   2HB   TYR  20          3HB       TYR  20   5.678  -1.234  -0.018
  173    HD1  TYR  20           1HD      TYR  20   7.173   0.426  -0.388
  174    HD2  TYR  20           2HD      TYR  20   3.035   1.390  -0.581
  175    HE1  TYR  20           1HE      TYR  20   7.751   2.731  -0.990
  176    HE2  TYR  20           2HE      TYR  20   3.609   3.694  -1.195
  177    HH   TYR  20           HH       TYR  20   6.310   5.125  -0.702
  178    H    MET  21           HN       MET  21   4.639  -3.008  -2.812
  179    HA   MET  21           HA       MET  21   4.817  -5.261  -1.007
  180   1HB   MET  21          2HB       MET  21   3.542  -6.692  -2.565
  181   2HB   MET  21          3HB       MET  21   2.573  -5.485  -1.749
  182   1HG   MET  21          2HG       MET  21   2.597  -4.119  -3.785
  183   2HG   MET  21          3HG       MET  21   3.543  -5.369  -4.596
  184   1HE   MET  21          1HE       MET  21   0.542  -6.053  -6.522
  185   2HE   MET  21          2HE       MET  21   0.038  -4.595  -5.666
  186   3HE   MET  21          3HE       MET  21   1.706  -4.765  -6.216
  187    H    LYS  22           HN       LYS  22   5.286  -7.269  -2.886
  188    HA   LYS  22           HA       LYS  22   7.794  -6.266  -4.005
  189   1HB   LYS  22          2HB       LYS  22   7.836  -8.314  -2.524
  190   2HB   LYS  22          3HB       LYS  22   6.961  -9.163  -3.795
  191   1HG   LYS  22          2HG       LYS  22   8.773  -8.824  -5.344
  192   2HG   LYS  22          3HG       LYS  22   9.633  -7.825  -4.175
  193   1HD   LYS  22          2HD       LYS  22   9.865  -9.761  -2.692
  194   2HD   LYS  22          3HD       LYS  22   8.996 -10.759  -3.863
  195   1HE   LYS  22          2HE       LYS  22  10.735 -10.358  -5.520
  196   2HE   LYS  22          3HE       LYS  22  11.595  -9.319  -4.383
  197   1HZ   LYS  22          1HZ       LYS  22  11.266 -12.249  -4.335
  198   2HZ   LYS  22          2HZ       LYS  22  11.587 -11.403  -2.895
  199   3HZ   LYS  22          3HZ       LYS  22  12.681 -11.324  -4.185
  200    H    GLY  23           HN       GLY  23   8.300  -6.517  -6.139
  201   1HA   GLY  23          1HA       GLY  23   5.962  -7.057  -7.865
  202   2HA   GLY  23          2HA       GLY  23   7.004  -5.660  -8.073
  203    H    SER  24           HN       SER  24   6.303  -8.574  -9.294
  204    HA   SER  24           HA       SER  24   8.962  -8.817 -10.528
  205   1HB   SER  24          2HB       SER  24   8.705 -10.587  -8.830
  206   2HB   SER  24          3HB       SER  24   7.199 -11.097  -9.590
  207    HG   SER  24           HG       SER  24   9.834 -11.234 -10.649
  208    HA   PRO  25           HA       PRO  25   6.810  -8.530 -14.388
  209   1HB   PRO  25          2HB       PRO  25   8.606 -10.731 -15.286
  210   2HB   PRO  25          3HB       PRO  25   8.312  -9.150 -16.021
  211   1HG   PRO  25          2HG       PRO  25  10.567  -9.628 -14.697
  212   2HG   PRO  25          3HG       PRO  25   9.751  -8.060 -14.559
  213   1HD   PRO  25          2HD       PRO  25   9.834 -10.332 -12.623
  214   2HD   PRO  25          3HD       PRO  25   9.840  -8.584 -12.317
  215    H    LYS  26           HN       LYS  26   7.591 -11.764 -13.195
  216    HA   LYS  26           HA       LYS  26   5.513 -13.116 -14.585
  217   1HB   LYS  26          2HB       LYS  26   6.009 -15.000 -13.070
  218   2HB   LYS  26          3HB       LYS  26   7.450 -14.347 -13.833
  219   1HG   LYS  26          2HG       LYS  26   8.002 -13.150 -11.781
  220   2HG   LYS  26          3HG       LYS  26   6.547 -13.790 -11.014
  221   1HD   LYS  26          2HD       LYS  26   7.392 -16.067 -11.318
  222   2HD   LYS  26          3HD       LYS  26   8.842 -15.426 -12.089
  223   1HE   LYS  26          2HE       LYS  26   7.981 -14.857  -9.255
  224   2HE   LYS  26          3HE       LYS  26   9.206 -16.032  -9.728
  225   1HZ   LYS  26          1HZ       LYS  26  10.224 -13.966  -9.029
  226   2HZ   LYS  26          2HZ       LYS  26   9.338 -13.099 -10.184
  227   3HZ   LYS  26          3HZ       LYS  26  10.507 -14.222 -10.682
  228    H    LEU  27           HN       LEU  27   5.719 -11.533 -11.447
  229    HA   LEU  27           HA       LEU  27   2.824 -11.674 -11.127
  230   1HB   LEU  27          2HB       LEU  27   4.103 -13.787 -10.203
  231   2HB   LEU  27          3HB       LEU  27   4.573 -12.687  -8.919
  232    HG   LEU  27           HG       LEU  27   1.736 -13.467  -9.624
  233   1HD1  LEU  27          1HD1      LEU  27   1.936 -14.476  -7.262
  234   2HD1  LEU  27          2HD1      LEU  27   2.644 -15.344  -8.625
  235   3HD1  LEU  27          3HD1      LEU  27   3.675 -14.400  -7.549
  236   1HD2  LEU  27          1HD2      LEU  27   1.463 -11.383  -8.686
  237   2HD2  LEU  27          2HD2      LEU  27   1.390 -12.431  -7.269
  238   3HD2  LEU  27          3HD2      LEU  27   2.872 -11.550  -7.639
  239    HA   PRO  28           HA       PRO  28   4.344  -7.729  -9.545
  240   1HB   PRO  28          2HB       PRO  28   1.929  -6.550  -9.261
  241   2HB   PRO  28          3HB       PRO  28   2.742  -6.711 -10.815
  242   1HG   PRO  28          2HG       PRO  28   0.516  -8.304  -9.634
  243   2HG   PRO  28          3HG       PRO  28   0.755  -7.777 -11.310
  244   1HD   PRO  28          2HD       PRO  28   1.290 -10.290 -10.426
  245   2HD   PRO  28          3HD       PRO  28   2.123  -9.535 -11.793
  246    H    SER  29           HN       SER  29   3.616 -10.037  -7.676
  247    HA   SER  29           HA       SER  29   3.827  -8.525  -5.318
  248   1HB   SER  29          2HB       SER  29   1.760  -9.477  -4.236
  249   2HB   SER  29          3HB       SER  29   1.529  -8.181  -5.399
  250    HG   SER  29           HG       SER  29   0.640  -9.573  -6.789
  251    H    CYS  30           HN       CYS  30   5.504 -10.226  -6.294
  252    HA   CYS  30           HA       CYS  30   5.302 -12.915  -5.464
  253   1HB   CYS  30          2HB       CYS  30   7.876 -12.691  -5.730
  254   2HB   CYS  30          3HB       CYS  30   6.839 -12.581  -7.149
  255    HG   CYS  30           HG       CYS  30   7.706  -9.748  -5.514
  256    H    GLY  31           HN       GLY  31   4.447 -12.047  -3.248
  257   1HA   GLY  31          1HA       GLY  31   6.341 -12.874  -1.302
  258   2HA   GLY  31          2HA       GLY  31   6.095 -11.134  -1.205
  259    H    PHE  32           HN       PHE  32   4.969 -10.951   0.671
  260    HA   PHE  32           HA       PHE  32   2.814 -12.740   1.323
  261   1HB   PHE  32          2HB       PHE  32   3.875 -10.272   2.639
  262   2HB   PHE  32          3HB       PHE  32   2.349 -10.978   3.146
  263    HD1  PHE  32           1HD      PHE  32   5.964 -11.669   2.767
  264    HD2  PHE  32           2HD      PHE  32   2.259 -12.801   4.533
  265    HE1  PHE  32           1HE      PHE  32   7.156 -13.270   4.216
  266    HE2  PHE  32           2HE      PHE  32   3.447 -14.395   6.003
  267    HZ   PHE  32           HZ       PHE  32   5.897 -14.628   5.841
  268    H    SER  33           HN       SER  33   3.053  -9.850  -0.448
  269    HA   SER  33           HA       SER  33   0.538  -8.787   0.169
  270   1HB   SER  33          2HB       SER  33   0.875  -7.500  -1.936
  271   2HB   SER  33          3HB       SER  33   2.180  -7.373  -0.761
  272    HG   SER  33           HG       SER  33   2.309  -8.179  -3.283
  273    H    ALA  34           HN       ALA  34   1.344 -11.463  -1.758
  274    HA   ALA  34           HA       ALA  34  -0.261 -11.430  -3.926
  275   1HB   ALA  34          1HB       ALA  34   0.299 -13.578  -4.129
  276   2HB   ALA  34          2HB       ALA  34   1.211 -13.342  -2.638
  277   3HB   ALA  34          3HB       ALA  34  -0.421 -14.009  -2.577
  278    H    GLN  35           HN       GLN  35  -1.349 -12.250  -0.646
  279    HA   GLN  35           HA       GLN  35  -4.050 -12.731  -1.540
  280   1HB   GLN  35          2HB       GLN  35  -3.213 -12.289   1.342
  281   2HB   GLN  35          3HB       GLN  35  -4.652 -13.097   0.744
  282   1HG   GLN  35          2HG       GLN  35  -3.282 -14.819   1.468
  283   2HG   GLN  35          3HG       GLN  35  -3.079 -14.808  -0.283
  284   1HE2  GLN  35          1HE2      GLN  35  -1.584 -12.205   1.256
  285   2HE2  GLN  35          2HE2      GLN  35   0.039 -12.790   1.245
  286    H    ALA  36           HN       ALA  36  -2.298 -10.138   0.060
  287    HA   ALA  36           HA       ALA  36  -4.440  -8.540   0.810
  288   1HB   ALA  36          1HB       ALA  36  -2.748  -7.508   1.788
  289   2HB   ALA  36          2HB       ALA  36  -1.592  -8.360   0.763
  290   3HB   ALA  36          3HB       ALA  36  -2.290  -6.832   0.224
  291    H    VAL  37           HN       VAL  37  -2.510  -8.503  -2.137
  292    HA   VAL  37           HA       VAL  37  -3.585  -6.236  -3.335
  293    HB   VAL  37           HB       VAL  37  -1.613  -7.421  -4.182
  294   1HG1  VAL  37          1HG1      VAL  37  -2.057  -9.391  -5.742
  295   2HG1  VAL  37          2HG1      VAL  37  -2.063  -9.687  -4.004
  296   3HG1  VAL  37          3HG1      VAL  37  -3.587  -9.552  -4.880
  297   1HG2  VAL  37          1HG2      VAL  37  -3.250  -5.969  -5.637
  298   2HG2  VAL  37          2HG2      VAL  37  -1.893  -6.817  -6.383
  299   3HG2  VAL  37          3HG2      VAL  37  -3.519  -7.502  -6.474
  300    H    GLN  38           HN       GLN  38  -4.778  -9.550  -3.246
  301    HA   GLN  38           HA       GLN  38  -6.884  -9.172  -5.102
  302   1HB   GLN  38          2HB       GLN  38  -6.879 -11.181  -2.853
  303   2HB   GLN  38          3HB       GLN  38  -7.688 -11.308  -4.408
  304   1HG   GLN  38          2HG       GLN  38  -4.720 -11.421  -3.903
  305   2HG   GLN  38          3HG       GLN  38  -5.772 -12.764  -4.328
  306   1HE2  GLN  38          1HE2      GLN  38  -6.980 -10.398  -6.171
  307   2HE2  GLN  38          2HE2      GLN  38  -5.990 -10.548  -7.578
  308    H    ALA  39           HN       ALA  39  -6.728  -9.083  -1.559
  309    HA   ALA  39           HA       ALA  39  -9.442  -8.586  -1.015
  310   1HB   ALA  39          1HB       ALA  39  -8.646  -8.733   1.048
  311   2HB   ALA  39          2HB       ALA  39  -6.992  -8.622   0.441
  312   3HB   ALA  39          3HB       ALA  39  -7.880  -7.155   0.862
  313    H    LEU  40           HN       LEU  40  -6.760  -6.328  -1.607
  314    HA   LEU  40           HA       LEU  40  -8.152  -3.965  -1.047
  315   1HB   LEU  40          2HB       LEU  40  -5.610  -4.569  -1.695
  316   2HB   LEU  40          3HB       LEU  40  -6.162  -3.926  -3.223
  317    HG   LEU  40           HG       LEU  40  -6.032  -2.494  -0.577
  318   1HD1  LEU  40          1HD1      LEU  40  -4.194  -1.486  -1.334
  319   2HD1  LEU  40          2HD1      LEU  40  -4.115  -2.831  -2.471
  320   3HD1  LEU  40          3HD1      LEU  40  -4.841  -1.300  -2.964
  321   1HD2  LEU  40          1HD2      LEU  40  -7.762  -1.256  -1.214
  322   2HD2  LEU  40          2HD2      LEU  40  -6.723  -0.618  -2.490
  323   3HD2  LEU  40          3HD2      LEU  40  -7.788  -1.985  -2.820
  324    H    ALA  41           HN       ALA  41  -7.374  -5.405  -4.194
  325    HA   ALA  41           HA       ALA  41  -8.829  -3.623  -5.781
  326   1HB   ALA  41          1HB       ALA  41  -7.579  -6.257  -6.140
  327   2HB   ALA  41          2HB       ALA  41  -8.899  -5.899  -7.255
  328   3HB   ALA  41          3HB       ALA  41  -7.508  -4.818  -7.158
  329    H    ALA  42           HN       ALA  42  -9.743  -6.474  -4.032
  330    HA   ALA  42           HA       ALA  42 -12.301  -6.797  -5.257
  331   1HB   ALA  42          1HB       ALA  42 -10.789  -8.310  -3.540
  332   2HB   ALA  42          2HB       ALA  42 -12.121  -7.773  -2.515
  333   3HB   ALA  42          3HB       ALA  42 -12.456  -8.644  -4.013
  334    H    CYS  43           HN       CYS  43 -11.268  -5.330  -2.183
  335    HA   CYS  43           HA       CYS  43 -13.906  -4.687  -1.422
  336   1HB   CYS  43          2HB       CYS  43 -12.838  -3.418   0.416
  337   2HB   CYS  43          3HB       CYS  43 -12.219  -5.049   0.252
  338    HG   CYS  43           HG       CYS  43  -9.807  -4.368  -0.796
  339    H    GLY  44           HN       GLY  44 -11.242  -2.470  -2.382
  340   1HA   GLY  44          1HA       GLY  44 -13.275  -0.389  -2.775
  341   2HA   GLY  44          2HA       GLY  44 -11.550  -0.124  -2.600
  342    H    GLU  45           HN       GLU  45 -11.251   1.101  -4.351
  343    HA   GLU  45           HA       GLU  45 -12.080   0.119  -6.979
  344   1HB   GLU  45          2HB       GLU  45 -10.822   2.741  -6.175
  345   2HB   GLU  45          3HB       GLU  45 -11.290   2.312  -7.810
  346   1HG   GLU  45          2HG       GLU  45 -13.638   2.124  -7.002
  347   2HG   GLU  45          3HG       GLU  45 -13.088   2.775  -5.453
  348    H    ARG  46           HN       ARG  46 -10.081   1.616  -8.347
  349    HA   ARG  46           HA       ARG  46  -7.884  -0.210  -8.450
  350   1HB   ARG  46          2HB       ARG  46  -8.337   2.521  -9.658
  351   2HB   ARG  46          3HB       ARG  46  -6.908   1.542  -9.963
  352   1HG   ARG  46          2HG       ARG  46  -9.724   0.678 -10.562
  353   2HG   ARG  46          3HG       ARG  46  -8.618   1.394 -11.725
  354   1HD   ARG  46          2HD       ARG  46  -7.030  -0.457 -11.310
  355   2HD   ARG  46          3HD       ARG  46  -8.210  -1.183 -10.220
  356    HE   ARG  46           HE       ARG  46  -9.444  -0.768 -12.700
  357   1HH1  ARG  46          2HH1      ARG  46  -6.947  -2.754 -11.263
  358   2HH1  ARG  46          1HH1      ARG  46  -7.137  -4.046 -12.406
  359   1HH2  ARG  46          2HH2      ARG  46  -9.689  -2.462 -14.213
  360   2HH2  ARG  46          1HH2      ARG  46  -8.681  -3.876 -14.094
  361    H    PHE  47           HN       PHE  47  -5.746   0.287  -7.950
  362    HA   PHE  47           HA       PHE  47  -5.282   2.420  -6.009
  363   1HB   PHE  47          2HB       PHE  47  -4.461   0.847  -4.347
  364   2HB   PHE  47          3HB       PHE  47  -6.122   0.446  -4.764
  365    HD1  PHE  47           1HD      PHE  47  -6.684  -1.691  -5.498
  366    HD2  PHE  47           2HD      PHE  47  -2.591  -0.511  -5.413
  367    HE1  PHE  47           1HE      PHE  47  -6.005  -4.025  -5.885
  368    HE2  PHE  47           2HE      PHE  47  -1.908  -2.842  -5.808
  369    HZ   PHE  47           HZ       PHE  47  -3.617  -4.601  -6.052
  370    H    ALA  48           HN       ALA  48  -3.021   2.778  -5.648
  371    HA   ALA  48           HA       ALA  48  -1.355   1.746  -7.825
  372   1HB   ALA  48          1HB       ALA  48  -1.165   4.208  -6.133
  373   2HB   ALA  48          2HB       ALA  48   0.244   3.583  -6.994
  374   3HB   ALA  48          3HB       ALA  48  -1.196   4.062  -7.891
  375    H    TYR  49           HN       TYR  49   0.604   0.751  -7.415
  376    HA   TYR  49           HA       TYR  49   1.094   0.047  -4.595
  377   1HB   TYR  49          2HB       TYR  49   1.209  -2.239  -5.059
  378   2HB   TYR  49          3HB       TYR  49  -0.140  -1.735  -6.066
  379    HD1  TYR  49           1HD      TYR  49  -0.078  -2.121  -8.398
  380    HD2  TYR  49           2HD      TYR  49   3.453  -2.526  -6.078
  381    HE1  TYR  49           1HE      TYR  49   1.054  -3.185 -10.308
  382    HE2  TYR  49           2HE      TYR  49   4.616  -3.550  -7.970
  383    HH   TYR  49           HH       TYR  49   4.252  -3.452 -10.647
  384    H    VAL  50           HN       VAL  50   3.292  -0.519  -4.174
  385    HA   VAL  50           HA       VAL  50   5.171   0.253  -6.301
  386    HB   VAL  50           HB       VAL  50   5.444   0.978  -3.356
  387   1HG1  VAL  50          1HG1      VAL  50   7.185   1.574  -5.739
  388   2HG1  VAL  50          2HG1      VAL  50   7.352   2.356  -4.168
  389   3HG1  VAL  50          3HG1      VAL  50   7.599   0.616  -4.316
  390   1HG2  VAL  50          1HG2      VAL  50   4.522   2.555  -5.729
  391   2HG2  VAL  50          2HG2      VAL  50   3.848   2.476  -4.100
  392   3HG2  VAL  50          3HG2      VAL  50   5.350   3.356  -4.393
  393    H    ASP  51           HN       ASP  51   6.739  -1.149  -6.638
  394    HA   ASP  51           HA       ASP  51   6.967  -3.474  -4.960
  395   1HB   ASP  51          2HB       ASP  51   8.779  -4.178  -6.497
  396   2HB   ASP  51          3HB       ASP  51   7.265  -3.850  -7.322
  397    H    ILE  52           HN       ILE  52   8.462  -3.872  -3.489
  398    HA   ILE  52           HA       ILE  52  10.708  -2.052  -3.092
  399    HB   ILE  52           HB       ILE  52   9.838  -2.149  -0.518
  400   1HG1  ILE  52          2HG1      ILE  52   7.437  -1.316  -0.631
  401   2HG1  ILE  52          3HG1      ILE  52   7.403  -1.994  -2.256
  402   1HG2  ILE  52          1HG2      ILE  52  10.047   0.029  -0.670
  403   2HG2  ILE  52          2HG2      ILE  52  10.345  -0.216  -2.394
  404   3HG2  ILE  52          3HG2      ILE  52   8.719   0.161  -1.826
  405   1HD1  ILE  52          1HD1      ILE  52   6.819  -3.283   0.112
  406   2HD1  ILE  52          2HD1      ILE  52   7.038  -4.014  -1.480
  407   3HD1  ILE  52          3HD1      ILE  52   8.402  -3.904  -0.366
  408    H    LEU  53           HN       LEU  53   8.977  -5.018  -2.094
  409    HA   LEU  53           HA       LEU  53  11.223  -6.098  -0.672
  410   1HB   LEU  53          2HB       LEU  53   9.017  -7.602  -2.086
  411   2HB   LEU  53          3HB       LEU  53  10.235  -8.329  -1.064
  412    HG   LEU  53           HG       LEU  53   8.539  -8.250   0.418
  413   1HD1  LEU  53          1HD1      LEU  53  10.095  -7.048   1.604
  414   2HD1  LEU  53          2HD1      LEU  53   9.904  -5.614   0.592
  415   3HD1  LEU  53          3HD1      LEU  53   8.641  -6.059   1.739
  416   1HD2  LEU  53          1HD2      LEU  53   6.970  -7.250  -1.244
  417   2HD2  LEU  53          2HD2      LEU  53   6.688  -6.774   0.432
  418   3HD2  LEU  53          3HD2      LEU  53   7.487  -5.660  -0.677
  419    H    GLN  54           HN       GLN  54  10.687  -5.288  -3.831
  420    HA   GLN  54           HA       GLN  54  12.540  -7.237  -4.949
  421   1HB   GLN  54          2HB       GLN  54  10.487  -6.853  -6.223
  422   2HB   GLN  54          3HB       GLN  54  10.794  -5.123  -6.241
  423   1HG   GLN  54          2HG       GLN  54  12.766  -6.979  -7.487
  424   2HG   GLN  54          3HG       GLN  54  11.276  -6.586  -8.335
  425   1HE2  GLN  54          1HE2      GLN  54  11.729  -3.886  -6.693
  426   2HE2  GLN  54          2HE2      GLN  54  12.745  -2.999  -7.767
  427    H    ASN  55           HN       ASN  55  12.218  -3.745  -4.364
  428    HA   ASN  55           HA       ASN  55  14.853  -3.193  -5.425
  429   1HB   ASN  55          2HB       ASN  55  14.478  -0.886  -4.817
  430   2HB   ASN  55          3HB       ASN  55  13.045  -1.517  -5.620
  431   1HD2  ASN  55          1HD2      ASN  55  11.412  -0.521  -4.895
  432   2HD2  ASN  55          2HD2      ASN  55  11.051  -0.242  -3.225
  433    HA   PRO  56           HA       PRO  56  16.976  -3.980  -1.717
  434   1HB   PRO  56          2HB       PRO  56  19.339  -2.799  -2.299
  435   2HB   PRO  56          3HB       PRO  56  18.817  -4.308  -3.056
  436   1HG   PRO  56          2HG       PRO  56  18.762  -1.526  -4.136
  437   2HG   PRO  56          3HG       PRO  56  19.137  -3.048  -4.964
  438   1HD   PRO  56          2HD       PRO  56  16.714  -1.756  -5.120
  439   2HD   PRO  56          3HD       PRO  56  16.942  -3.496  -5.381
  440    H    ASP  57           HN       ASP  57  17.144  -0.671  -2.978
  441    HA   ASP  57           HA       ASP  57  18.083   0.399  -0.505
  442   1HB   ASP  57          2HB       ASP  57  16.995   1.846  -2.926
  443   2HB   ASP  57          3HB       ASP  57  17.872   2.597  -1.598
  444    H    ILE  58           HN       ILE  58  15.040   0.946  -2.241
  445    HA   ILE  58           HA       ILE  58  13.875   2.598  -0.306
  446    HB   ILE  58           HB       ILE  58  12.415   0.819  -2.283
  447   1HG1  ILE  58          2HG1      ILE  58  13.488   3.639  -2.621
  448   2HG1  ILE  58          3HG1      ILE  58  14.156   2.195  -3.375
  449   1HG2  ILE  58          1HG2      ILE  58  11.412   3.498  -1.540
  450   2HG2  ILE  58          2HG2      ILE  58  10.537   2.001  -1.858
  451   3HG2  ILE  58          3HG2      ILE  58  11.315   2.252  -0.296
  452   1HD1  ILE  58          1HD1      ILE  58  12.551   3.782  -4.688
  453   2HD1  ILE  58          2HD1      ILE  58  12.448   2.031  -4.884
  454   3HD1  ILE  58          3HD1      ILE  58  11.298   2.871  -3.844
  455    H    ARG  59           HN       ARG  59  13.763  -0.861  -0.788
  456    HA   ARG  59           HA       ARG  59  11.791  -1.626   1.002
  457   1HB   ARG  59          2HB       ARG  59  12.885  -3.149  -0.541
  458   2HB   ARG  59          3HB       ARG  59  14.398  -2.985   0.332
  459   1HG   ARG  59          2HG       ARG  59  13.399  -4.076   2.276
  460   2HG   ARG  59          3HG       ARG  59  11.872  -4.236   1.397
  461   1HD   ARG  59          2HD       ARG  59  12.961  -5.600  -0.286
  462   2HD   ARG  59          3HD       ARG  59  14.511  -5.395   0.520
  463    HE   ARG  59           HE       ARG  59  12.741  -6.519   2.357
  464   1HH1  ARG  59          2HH1      ARG  59  14.290  -7.327  -0.672
  465   2HH1  ARG  59          1HH1      ARG  59  14.343  -9.035  -0.344
  466   1HH2  ARG  59          2HH2      ARG  59  12.822  -8.768   2.820
  467   2HH2  ARG  59          1HH2      ARG  59  13.526  -9.851   1.650
  468    H    ALA  60           HN       ALA  60  15.129  -0.715   1.660
  469    HA   ALA  60           HA       ALA  60  15.071  -1.830   4.273
  470   1HB   ALA  60          1HB       ALA  60  17.108   0.048   3.089
  471   2HB   ALA  60          2HB       ALA  60  17.324  -0.999   4.493
  472   3HB   ALA  60          3HB       ALA  60  17.107  -1.704   2.890
  473    H    GLU  61           HN       GLU  61  15.296   1.574   3.190
  474    HA   GLU  61           HA       GLU  61  15.320   2.504   5.893
  475   1HB   GLU  61          2HB       GLU  61  14.874   4.084   3.346
  476   2HB   GLU  61          3HB       GLU  61  15.366   4.735   4.909
  477   1HG   GLU  61          2HG       GLU  61  17.448   3.449   4.793
  478   2HG   GLU  61          3HG       GLU  61  16.972   2.839   3.210
  479    H    LEU  62           HN       LEU  62  12.991   2.882   3.299
  480    HA   LEU  62           HA       LEU  62  11.237   4.546   4.531
  481   1HB   LEU  62          2HB       LEU  62  10.811   4.568   2.408
  482   2HB   LEU  62          3HB       LEU  62  11.356   2.914   2.187
  483    HG   LEU  62           HG       LEU  62   9.104   2.137   2.961
  484   1HD1  LEU  62          1HD1      LEU  62   7.472   4.241   2.329
  485   2HD1  LEU  62          2HD1      LEU  62   7.780   3.623   3.955
  486   3HD1  LEU  62          3HD1      LEU  62   8.710   4.990   3.341
  487   1HD2  LEU  62          1HD2      LEU  62   8.759   1.961   0.809
  488   2HD2  LEU  62          2HD2      LEU  62   8.344   3.672   0.701
  489   3HD2  LEU  62          3HD2      LEU  62  10.023   3.165   0.552
  490    HA   PRO  63           HA       PRO  63   8.371   0.800   5.833
  491   1HB   PRO  63          2HB       PRO  63   9.870  -1.260   6.867
  492   2HB   PRO  63          3HB       PRO  63   9.175  -1.257   5.243
  493   1HG   PRO  63          2HG       PRO  63  11.950  -0.533   6.111
  494   2HG   PRO  63          3HG       PRO  63  11.432  -1.539   4.742
  495   1HD   PRO  63          2HD       PRO  63  12.164   0.977   4.344
  496   2HD   PRO  63          3HD       PRO  63  10.754   0.313   3.487
  497    H    LYS  64           HN       LYS  64  11.559   1.266   7.195
  498    HA   LYS  64           HA       LYS  64  11.051   1.042   9.906
  499   1HB   LYS  64          2HB       LYS  64  12.974   2.832   8.440
  500   2HB   LYS  64          3HB       LYS  64  13.042   2.469  10.160
  501   1HG   LYS  64          2HG       LYS  64  13.586   0.249   9.786
  502   2HG   LYS  64          3HG       LYS  64  13.058   0.299   8.110
  503   1HD   LYS  64          2HD       LYS  64  15.470   0.262   8.244
  504   2HD   LYS  64          3HD       LYS  64  14.898   1.777   7.566
  505   1HE   LYS  64          2HE       LYS  64  15.759   1.411  10.426
  506   2HE   LYS  64          3HE       LYS  64  16.799   2.000   9.133
  507   1HZ   LYS  64          1HZ       LYS  64  14.547   3.346  10.457
  508   2HZ   LYS  64          2HZ       LYS  64  14.922   3.745   8.852
  509   3HZ   LYS  64          3HZ       LYS  64  16.087   3.935  10.064
  510    H    TYR  65           HN       TYR  65  10.674   3.767   7.715
  511    HA   TYR  65           HA       TYR  65  10.112   5.650   9.730
  512   1HB   TYR  65          2HB       TYR  65  10.205   7.117   8.048
  513   2HB   TYR  65          3HB       TYR  65  10.577   5.763   7.005
  514    HD1  TYR  65           1HD      TYR  65   9.526   5.948   4.949
  515    HD2  TYR  65           2HD      TYR  65   7.400   7.179   8.449
  516    HE1  TYR  65           1HE      TYR  65   7.586   6.574   3.574
  517    HE2  TYR  65           2HE      TYR  65   5.462   7.767   7.067
  518    HH   TYR  65           HH       TYR  65   4.608   7.842   5.043
  519    H    ALA  66           HN       ALA  66   7.991   3.517   7.788
  520    HA   ALA  66           HA       ALA  66   5.633   4.760   8.864
  521   1HB   ALA  66          1HB       ALA  66   4.435   3.210   7.567
  522   2HB   ALA  66          2HB       ALA  66   5.873   3.631   6.635
  523   3HB   ALA  66          3HB       ALA  66   5.802   2.097   7.502
  524    H    ASN  67           HN       ASN  67   6.951   1.426   9.236
  525    HA   ASN  67           HA       ASN  67   6.751   1.404  12.013
  526   1HB   ASN  67          2HB       ASN  67   4.294   1.414  11.564
  527   2HB   ASN  67          3HB       ASN  67   4.474  -0.119  10.721
  528   1HD2  ASN  67          1HD2      ASN  67   3.550   1.236  13.498
  529   2HD2  ASN  67          2HD2      ASN  67   3.800  -0.087  14.596
  530    H    TRP  68           HN       TRP  68   6.062  -0.749   9.338
  531    HA   TRP  68           HA       TRP  68   7.105  -3.116  10.285
  532   1HB   TRP  68          2HB       TRP  68   6.556  -2.033   7.555
  533   2HB   TRP  68          3HB       TRP  68   7.370  -3.587   7.722
  534    HD1  TRP  68           1HD      TRP  68   5.777  -5.461   7.385
  535    HE1  TRP  68           1HE      TRP  68   3.315  -5.966   7.918
  536    HE3  TRP  68           3HE      TRP  68   4.503  -1.056   9.651
  537    HZ2  TRP  68           2HZ      TRP  68   1.130  -4.690   9.144
  538    HZ3  TRP  68           3HZ      TRP  68   2.202  -0.787  10.475
  539    HH2  TRP  68           2HH      TRP  68   0.549  -2.564  10.225
  540    HA   PRO  69           HA       PRO  69  11.555  -2.988   9.731
  541   1HB   PRO  69          2HB       PRO  69  11.976  -5.585   9.027
  542   2HB   PRO  69          3HB       PRO  69  11.688  -5.075  10.693
  543   1HG   PRO  69          2HG       PRO  69   9.793  -6.289   8.727
  544   2HG   PRO  69          3HG       PRO  69   9.962  -6.607  10.462
  545   1HD   PRO  69          2HD       PRO  69   8.007  -5.027   9.430
  546   2HD   PRO  69          3HD       PRO  69   8.697  -4.777  11.047
  547    H    THR  70           HN       THR  70   9.492  -4.584   7.396
  548    HA   THR  70           HA       THR  70  10.668  -3.062   5.236
  549    HB   THR  70           HB       THR  70  10.749  -5.002   3.698
  550    HG1  THR  70           1HG      THR  70  10.670  -6.682   5.990
  551   1HG2  THR  70          1HG2      THR  70  12.764  -6.149   4.974
  552   2HG2  THR  70          2HG2      THR  70  12.538  -4.778   6.068
  553   3HG2  THR  70          3HG2      THR  70  12.883  -4.499   4.357
  554    H    PHE  71           HN       PHE  71   8.855  -5.431   3.820
  555    HA   PHE  71           HA       PHE  71   6.299  -4.164   4.493
  556   1HB   PHE  71          2HB       PHE  71   7.279  -4.511   1.643
  557   2HB   PHE  71          3HB       PHE  71   5.741  -3.822   2.138
  558    HD1  PHE  71           1HD      PHE  71   5.535  -1.518   2.435
  559    HD2  PHE  71           2HD      PHE  71   9.414  -3.279   2.387
  560    HE1  PHE  71           1HE      PHE  71   6.552   0.724   2.438
  561    HE2  PHE  71           2HE      PHE  71  10.425  -1.053   2.391
  562    HZ   PHE  71           HZ       PHE  71   9.001   0.948   2.408
  563    HA   PRO  72           HA       PRO  72   4.744  -4.782   1.689
  564   1HB   PRO  72          2HB       PRO  72   2.200  -5.727   1.808
  565   2HB   PRO  72          3HB       PRO  72   3.411  -6.322   0.670
  566   1HG   PRO  72          2HG       PRO  72   2.489  -7.495   3.252
  567   2HG   PRO  72          3HG       PRO  72   2.881  -8.308   1.728
  568   1HD   PRO  72          2HD       PRO  72   4.568  -8.241   3.853
  569   2HD   PRO  72          3HD       PRO  72   5.133  -8.329   2.174
  570    H    GLN  73           HN       GLN  73   3.340  -3.070   2.000
  571    HA   GLN  73           HA       GLN  73   1.923  -2.813   4.549
  572   1HB   GLN  73          2HB       GLN  73   3.712  -0.594   3.537
  573   2HB   GLN  73          3HB       GLN  73   2.757  -0.612   5.002
  574   1HG   GLN  73          2HG       GLN  73   4.209  -2.283   5.972
  575   2HG   GLN  73          3HG       GLN  73   5.167  -2.326   4.487
  576   1HE2  GLN  73          1HE2      GLN  73   4.133   0.764   4.832
  577   2HE2  GLN  73          2HE2      GLN  73   5.492   1.439   5.651
  578    H    LEU  74           HN       LEU  74   0.011  -1.838   4.223
  579    HA   LEU  74           HA       LEU  74  -0.596  -0.729   1.585
  580   1HB   LEU  74          2HB       LEU  74  -1.986  -2.548   2.518
  581   2HB   LEU  74          3HB       LEU  74  -2.417  -1.516   3.859
  582    HG   LEU  74           HG       LEU  74  -4.175  -1.779   2.080
  583   1HD1  LEU  74          1HD1      LEU  74  -4.947   0.075   3.008
  584   2HD1  LEU  74          2HD1      LEU  74  -3.312   0.607   3.398
  585   3HD1  LEU  74          3HD1      LEU  74  -4.021   1.013   1.834
  586   1HD2  LEU  74          1HD2      LEU  74  -3.830  -0.259   0.083
  587   2HD2  LEU  74          2HD2      LEU  74  -2.114  -0.290   0.489
  588   3HD2  LEU  74          3HD2      LEU  74  -2.953  -1.788   0.083
  589    H    TRP  75           HN       TRP  75  -1.165   1.374   1.276
  590    HA   TRP  75           HA       TRP  75  -1.284   3.113   3.652
  591   1HB   TRP  75          2HB       TRP  75  -0.041   3.719   0.972
  592   2HB   TRP  75          3HB       TRP  75  -0.269   4.896   2.254
  593    HD1  TRP  75           1HD      TRP  75   1.715   1.614   1.626
  594    HE1  TRP  75           1HE      TRP  75   3.840   1.719   3.078
  595    HE3  TRP  75           3HE      TRP  75   0.744   5.930   4.145
  596    HZ2  TRP  75           2HZ      TRP  75   4.926   3.396   5.064
  597    HZ3  TRP  75           3HZ      TRP  75   2.382   6.728   5.814
  598    HH2  TRP  75           2HH      TRP  75   4.427   5.480   6.254
  599    H    VAL  76           HN       VAL  76  -3.030   4.320   3.812
  600    HA   VAL  76           HA       VAL  76  -4.794   4.651   1.457
  601    HB   VAL  76           HB       VAL  76  -5.556   4.672   4.391
  602   1HG1  VAL  76          1HG1      VAL  76  -7.882   4.308   3.247
  603   2HG1  VAL  76          2HG1      VAL  76  -7.202   5.929   3.438
  604   3HG1  VAL  76          3HG1      VAL  76  -7.087   5.102   1.883
  605   1HG2  VAL  76          1HG2      VAL  76  -5.864   2.479   4.354
  606   2HG2  VAL  76          2HG2      VAL  76  -6.705   2.551   2.805
  607   3HG2  VAL  76          3HG2      VAL  76  -4.944   2.464   2.848
  608    H    ASP  77           HN       ASP  77  -4.795   6.737   0.745
  609    HA   ASP  77           HA       ASP  77  -4.529   9.015   0.663
  610   1HB   ASP  77          2HB       ASP  77  -6.505   8.766   2.200
  611   2HB   ASP  77          3HB       ASP  77  -5.374   8.859   3.541
  612    H    GLY  78           HN       GLY  78  -2.435   7.277   1.432
  613   1HA   GLY  78          1HA       GLY  78  -0.170   7.477   1.835
  614   2HA   GLY  78          2HA       GLY  78  -0.434   9.166   2.211
  615    H    GLU  79           HN       GLU  79  -2.174   6.617   3.848
  616    HA   GLU  79           HA       GLU  79  -0.466   6.979   6.200
  617   1HB   GLU  79          2HB       GLU  79  -3.470   6.788   6.179
  618   2HB   GLU  79          3HB       GLU  79  -2.481   6.718   7.630
  619   1HG   GLU  79          2HG       GLU  79  -1.640   8.977   7.125
  620   2HG   GLU  79          3HG       GLU  79  -2.722   9.042   5.734
  621    H    LEU  80           HN       LEU  80   0.187   5.193   7.200
  622    HA   LEU  80           HA       LEU  80  -0.072   2.740   5.839
  623   1HB   LEU  80          2HB       LEU  80   1.965   3.339   6.961
  624   2HB   LEU  80          3HB       LEU  80   1.137   3.452   8.508
  625    HG   LEU  80           HG       LEU  80   0.662   1.003   8.346
  626   1HD1  LEU  80          1HD1      LEU  80   0.819   0.379   6.149
  627   2HD1  LEU  80          2HD1      LEU  80   2.271   1.343   5.864
  628   3HD1  LEU  80          3HD1      LEU  80   2.376  -0.162   6.781
  629   1HD2  LEU  80          1HD2      LEU  80   2.597   2.106   9.572
  630   2HD2  LEU  80          2HD2      LEU  80   2.747   0.385   9.215
  631   3HD2  LEU  80          3HD2      LEU  80   3.605   1.569   8.227
  632    H    VAL  81           HN       VAL  81  -1.338   1.057   6.102
  633    HA   VAL  81           HA       VAL  81  -3.052   0.890   8.499
  634    HB   VAL  81           HB       VAL  81  -3.562  -0.253   5.736
  635   1HG1  VAL  81          1HG1      VAL  81  -4.539  -1.850   7.087
  636   2HG1  VAL  81          2HG1      VAL  81  -4.922  -0.689   8.360
  637   3HG1  VAL  81          3HG1      VAL  81  -5.872  -0.712   6.872
  638   1HG2  VAL  81          1HG2      VAL  81  -4.629   2.104   7.222
  639   2HG2  VAL  81          2HG2      VAL  81  -4.184   1.952   5.522
  640   3HG2  VAL  81          3HG2      VAL  81  -5.689   1.238   6.108
  641    H    GLY  82           HN       GLY  82  -1.360  -1.081   6.074
  642   1HA   GLY  82          1HA       GLY  82   0.307  -2.661   7.379
  643   2HA   GLY  82          2HA       GLY  82  -1.219  -3.354   7.913
  644    H    GLY  83           HN       GLY  83   1.095  -4.172   5.950
  645   1HA   GLY  83          1HA       GLY  83  -0.217  -4.063   3.431
  646   2HA   GLY  83          2HA       GLY  83   1.336  -4.797   3.753
  647    H    CYS  84           HN       CYS  84   1.052  -7.046   5.005
  648    HA   CYS  84           HA       CYS  84  -0.393  -8.525   3.042
  649   1HB   CYS  84          2HB       CYS  84   0.569 -10.537   4.132
  650   2HB   CYS  84          3HB       CYS  84   1.767  -9.316   3.721
  651    HG   CYS  84           HG       CYS  84   1.091 -10.674   6.650
  652    H    ASP  85           HN       ASP  85  -0.482  -8.987   6.552
  653    HA   ASP  85           HA       ASP  85  -2.907 -10.457   6.437
  654   1HB   ASP  85          2HB       ASP  85  -1.454  -9.277   8.815
  655   2HB   ASP  85          3HB       ASP  85  -2.774 -10.435   8.911
  656    H    ILE  86           HN       ILE  86  -2.092  -7.219   7.521
  657    HA   ILE  86           HA       ILE  86  -4.494  -6.567   8.698
  658    HB   ILE  86           HB       ILE  86  -2.634  -4.682   7.241
  659   1HG1  ILE  86          2HG1      ILE  86  -1.488  -5.988   8.983
  660   2HG1  ILE  86          3HG1      ILE  86  -1.632  -4.298   9.449
  661   1HG2  ILE  86          1HG2      ILE  86  -3.703  -2.913   8.269
  662   2HG2  ILE  86          2HG2      ILE  86  -5.058  -3.985   7.908
  663   3HG2  ILE  86          3HG2      ILE  86  -4.389  -3.926   9.540
  664   1HD1  ILE  86          1HD1      ILE  86  -3.146  -4.749  11.112
  665   2HD1  ILE  86          2HD1      ILE  86  -3.675  -6.261  10.374
  666   3HD1  ILE  86          3HD1      ILE  86  -2.105  -6.171  11.175
  667    H    VAL  87           HN       VAL  87  -3.512  -6.096   5.306
  668    HA   VAL  87           HA       VAL  87  -5.829  -4.804   4.425
  669    HB   VAL  87           HB       VAL  87  -3.983  -6.649   2.900
  670   1HG1  VAL  87          1HG1      VAL  87  -6.536  -5.667   2.131
  671   2HG1  VAL  87          2HG1      VAL  87  -5.317  -4.792   1.207
  672   3HG1  VAL  87          3HG1      VAL  87  -5.364  -6.553   1.157
  673   1HG2  VAL  87          1HG2      VAL  87  -2.826  -4.763   2.240
  674   2HG2  VAL  87          2HG2      VAL  87  -4.169  -3.682   2.616
  675   3HG2  VAL  87          3HG2      VAL  87  -3.219  -4.393   3.920
  676    H    ILE  88           HN       ILE  88  -5.080  -8.303   4.517
  677    HA   ILE  88           HA       ILE  88  -7.536  -9.159   3.445
  678    HB   ILE  88           HB       ILE  88  -5.728 -10.579   5.406
  679   1HG1  ILE  88          2HG1      ILE  88  -4.693 -10.081   3.229
  680   2HG1  ILE  88          3HG1      ILE  88  -4.946 -11.810   3.444
  681   1HG2  ILE  88          1HG2      ILE  88  -8.102 -11.381   5.416
  682   2HG2  ILE  88          2HG2      ILE  88  -7.909 -11.798   3.713
  683   3HG2  ILE  88          3HG2      ILE  88  -6.918 -12.598   4.936
  684   1HD1  ILE  88          1HD1      ILE  88  -6.388  -9.905   1.650
  685   2HD1  ILE  88          2HD1      ILE  88  -5.588 -11.428   1.257
  686   3HD1  ILE  88          3HD1      ILE  88  -7.126 -11.435   2.128
  687    H    GLU  89           HN       GLU  89  -6.501  -8.819   6.841
  688    HA   GLU  89           HA       GLU  89  -8.939  -9.662   7.921
  689   1HB   GLU  89          2HB       GLU  89  -6.825  -9.500   9.200
  690   2HB   GLU  89          3HB       GLU  89  -6.955  -7.746   9.167
  691   1HG   GLU  89          2HG       GLU  89  -9.025  -7.865  10.442
  692   2HG   GLU  89          3HG       GLU  89  -8.928  -9.625  10.445
  693    H    MET  90           HN       MET  90  -7.769  -6.341   7.342
  694    HA   MET  90           HA       MET  90 -10.092  -5.006   8.199
  695   1HB   MET  90          2HB       MET  90  -8.056  -4.200   6.116
  696   2HB   MET  90          3HB       MET  90  -9.306  -3.130   6.740
  697   1HG   MET  90          2HG       MET  90  -7.100  -4.407   8.336
  698   2HG   MET  90          3HG       MET  90  -7.170  -2.726   7.810
  699   1HE   MET  90          1HE       MET  90  -7.192  -3.555  11.445
  700   2HE   MET  90          2HE       MET  90  -6.386  -2.682  10.141
  701   3HE   MET  90          3HE       MET  90  -7.492  -1.831  11.220
  702    H    TYR  91           HN       TYR  91  -9.224  -6.405   5.104
  703    HA   TYR  91           HA       TYR  91 -11.447  -5.574   3.593
  704   1HB   TYR  91          2HB       TYR  91  -9.688  -6.451   2.360
  705   2HB   TYR  91          3HB       TYR  91  -9.450  -7.794   3.465
  706    HD1  TYR  91           1HD      TYR  91 -10.077  -9.846   2.839
  707    HD2  TYR  91           2HD      TYR  91 -12.002  -6.540   0.988
  708    HE1  TYR  91           1HE      TYR  91 -11.242 -11.384   1.364
  709    HE2  TYR  91           2HE      TYR  91 -13.201  -8.077  -0.502
  710    HH   TYR  91           HH       TYR  91 -13.626 -11.192   0.028
  711    H    GLN  92           HN       GLN  92 -10.897  -8.554   5.474
  712    HA   GLN  92           HA       GLN  92 -13.445  -9.653   4.934
  713   1HB   GLN  92          2HB       GLN  92 -11.580 -10.187   7.251
  714   2HB   GLN  92          3HB       GLN  92 -12.974 -11.173   6.828
  715   1HG   GLN  92          2HG       GLN  92 -11.943 -11.635   4.634
  716   2HG   GLN  92          3HG       GLN  92 -10.525 -10.715   5.137
  717   1HE2  GLN  92          1HE2      GLN  92 -11.690 -13.708   4.766
  718   2HE2  GLN  92          2HE2      GLN  92 -10.736 -14.559   5.940
  719    H    ARG  93           HN       ARG  93 -12.197  -7.614   7.510
  720    HA   ARG  93           HA       ARG  93 -14.476  -7.483   9.169
  721   1HB   ARG  93          2HB       ARG  93 -12.447  -5.316   8.565
  722   2HB   ARG  93          3HB       ARG  93 -13.573  -5.318   9.910
  723   1HG   ARG  93          2HG       ARG  93 -11.310  -7.243   9.468
  724   2HG   ARG  93          3HG       ARG  93 -11.364  -5.933  10.651
  725   1HD   ARG  93          2HD       ARG  93 -13.112  -8.387  10.593
  726   2HD   ARG  93          3HD       ARG  93 -11.835  -8.029  11.752
  727    HE   ARG  93           HE       ARG  93 -14.521  -7.163  11.884
  728   1HH1  ARG  93          2HH1      ARG  93 -11.248  -6.056  12.564
  729   2HH1  ARG  93          1HH1      ARG  93 -11.766  -4.817  13.659
  730   1HH2  ARG  93          2HH2      ARG  93 -15.178  -5.553  13.350
  731   2HH2  ARG  93          1HH2      ARG  93 -13.996  -4.531  14.108
  732    H    GLY  94           HN       GLY  94 -13.588  -5.947   6.192
  733   1HA   GLY  94          1HA       GLY  94 -14.903  -4.846   4.634
  734   2HA   GLY  94          2HA       GLY  94 -16.264  -4.935   5.747
  735    H    GLU  95           HN       GLU  95 -13.260  -3.824   6.947
  736    HA   GLU  95           HA       GLU  95 -14.302  -1.090   7.104
  737   1HB   GLU  95          2HB       GLU  95 -12.069  -2.414   8.647
  738   2HB   GLU  95          3HB       GLU  95 -12.557  -0.734   8.826
  739   1HG   GLU  95          2HG       GLU  95 -14.803  -1.491   9.506
  740   2HG   GLU  95          3HG       GLU  95 -14.245  -3.159   9.402
  741    H    LEU  96           HN       LEU  96 -12.101  -2.962   5.378
  742    HA   LEU  96           HA       LEU  96 -10.053  -1.011   4.938
  743   1HB   LEU  96          2HB       LEU  96  -9.682  -3.440   4.641
  744   2HB   LEU  96          3HB       LEU  96 -10.794  -3.428   3.284
  745    HG   LEU  96           HG       LEU  96  -9.277  -1.896   2.075
  746   1HD1  LEU  96          1HD1      LEU  96  -8.242  -0.906   4.108
  747   2HD1  LEU  96          2HD1      LEU  96  -7.339  -2.407   4.322
  748   3HD1  LEU  96          3HD1      LEU  96  -7.081  -1.419   2.885
  749   1HD2  LEU  96          1HD2      LEU  96  -8.502  -3.771   1.195
  750   2HD2  LEU  96          2HD2      LEU  96  -7.305  -3.874   2.484
  751   3HD2  LEU  96          3HD2      LEU  96  -8.876  -4.649   2.677
  752    H    GLN  97           HN       GLN  97 -12.683  -2.292   3.028
  753    HA   GLN  97           HA       GLN  97 -12.653  -0.387   0.966
  754   1HB   GLN  97          2HB       GLN  97 -15.105  -0.984   0.749
  755   2HB   GLN  97          3HB       GLN  97 -13.948  -2.270   0.519
  756   1HG   GLN  97          2HG       GLN  97 -15.290  -1.851   3.160
  757   2HG   GLN  97          3HG       GLN  97 -16.092  -2.725   1.861
  758   1HE2  GLN  97          1HE2      GLN  97 -15.854  -4.825   1.901
  759   2HE2  GLN  97          2HE2      GLN  97 -14.551  -5.698   2.638
  760    H    GLN  98           HN       GLN  98 -13.717  -0.187   4.250
  761    HA   GLN  98           HA       GLN  98 -15.485   2.020   3.890
  762   1HB   GLN  98          2HB       GLN  98 -14.118   0.849   6.300
  763   2HB   GLN  98          3HB       GLN  98 -15.132   2.276   6.406
  764   1HG   GLN  98          2HG       GLN  98 -16.036  -0.384   5.338
  765   2HG   GLN  98          3HG       GLN  98 -16.303   0.181   6.986
  766   1HE2  GLN  98          1HE2      GLN  98 -18.332   0.739   7.237
  767   2HE2  GLN  98          2HE2      GLN  98 -19.296   1.629   6.104
  768    H    LEU  99           HN       LEU  99 -12.138   1.763   5.067
  769    HA   LEU  99           HA       LEU  99 -11.867   4.604   5.144
  770   1HB   LEU  99          2HB       LEU  99  -9.424   4.077   5.579
  771   2HB   LEU  99          3HB       LEU  99 -10.598   3.560   6.768
  772    HG   LEU  99           HG       LEU  99 -10.479   1.267   5.656
  773   1HD1  LEU  99          1HD1      LEU  99  -8.946   0.774   4.094
  774   2HD1  LEU  99          2HD1      LEU  99  -9.029   2.501   3.744
  775   3HD1  LEU  99          3HD1      LEU  99  -7.743   1.870   4.773
  776   1HD2  LEU  99          1HD2      LEU  99  -9.492   1.873   7.845
  777   2HD2  LEU  99          2HD2      LEU  99  -8.588   0.623   6.989
  778   3HD2  LEU  99          3HD2      LEU  99  -7.990   2.282   7.017
  779    H    ILE 100           HN       ILE 100 -11.050   2.091   2.837
  780    HA   ILE 100           HA       ILE 100  -9.581   3.748   1.046
  781    HB   ILE 100           HB       ILE 100 -11.218   1.274   0.434
  782   1HG1  ILE 100          2HG1      ILE 100  -9.333   0.874   1.997
  783   2HG1  ILE 100          3HG1      ILE 100  -9.104   0.073   0.446
  784   1HG2  ILE 100          1HG2      ILE 100 -10.833   1.663  -1.718
  785   2HG2  ILE 100          2HG2      ILE 100 -10.010   3.169  -1.309
  786   3HG2  ILE 100          3HG2      ILE 100  -9.098   1.663  -1.408
  787   1HD1  ILE 100          1HD1      ILE 100  -7.500   2.120   1.755
  788   2HD1  ILE 100          2HD1      ILE 100  -7.057   0.954   0.508
  789   3HD1  ILE 100          3HD1      ILE 100  -7.840   2.469   0.060
  790    H    LYS 101           HN       LYS 101 -13.033   2.952   1.395
  791    HA   LYS 101           HA       LYS 101 -14.095   4.068  -0.879
  792   1HB   LYS 101          2HB       LYS 101 -15.398   2.838   0.815
  793   2HB   LYS 101          3HB       LYS 101 -15.233   4.196   1.920
  794   1HG   LYS 101          2HG       LYS 101 -16.398   5.591   0.213
  795   2HG   LYS 101          3HG       LYS 101 -16.739   4.106  -0.662
  796   1HD   LYS 101          2HD       LYS 101 -17.625   4.800   2.134
  797   2HD   LYS 101          3HD       LYS 101 -18.647   4.685   0.703
  798   1HE   LYS 101          2HE       LYS 101 -17.112   2.411   1.954
  799   2HE   LYS 101          3HE       LYS 101 -18.837   2.712   2.150
  800   1HZ   LYS 101          1HZ       LYS 101 -18.640   1.085   0.499
  801   2HZ   LYS 101          2HZ       LYS 101 -17.395   1.912  -0.298
  802   3HZ   LYS 101          3HZ       LYS 101 -18.978   2.523  -0.347
  803    H    GLU 102           HN       GLU 102 -13.741   5.637   2.252
  804    HA   GLU 102           HA       GLU 102 -14.588   8.164   1.503
  805   1HB   GLU 102          2HB       GLU 102 -14.388   7.474   3.828
  806   2HB   GLU 102          3HB       GLU 102 -12.646   7.338   3.669
  807   1HG   GLU 102          2HG       GLU 102 -13.997   9.956   3.177
  808   2HG   GLU 102          3HG       GLU 102 -13.694   9.403   4.817
  809    H    THR 103           HN       THR 103 -11.313   6.834   1.645
  810    HA   THR 103           HA       THR 103 -10.033   9.191   0.812
  811    HB   THR 103           HB       THR 103  -9.071   6.344   0.786
  812    HG1  THR 103           1HG      THR 103  -9.607   8.084   2.754
  813   1HG2  THR 103          1HG2      THR 103  -6.859   7.183   0.607
  814   2HG2  THR 103          2HG2      THR 103  -7.415   8.851   0.753
  815   3HG2  THR 103          3HG2      THR 103  -7.793   7.920  -0.695
  816    H    ALA 104           HN       ALA 104 -10.846   6.252  -1.037
  817    HA   ALA 104           HA       ALA 104  -9.662   7.104  -3.437
  818   1HB   ALA 104          1HB       ALA 104 -10.192   4.970  -3.823
  819   2HB   ALA 104          2HB       ALA 104 -11.441   4.973  -2.578
  820   3HB   ALA 104          3HB       ALA 104 -11.815   5.539  -4.205
  821    H    ALA 105           HN       ALA 105 -12.993   7.391  -2.254
  822    HA   ALA 105           HA       ALA 105 -14.009   8.742  -4.501
  823   1HB   ALA 105          1HB       ALA 105 -15.129   9.137  -1.759
  824   2HB   ALA 105          2HB       ALA 105 -15.965   9.017  -3.309
  825   3HB   ALA 105          3HB       ALA 105 -15.258   7.574  -2.574
  826    H    LYS 106           HN       LYS 106 -12.510   9.984  -1.505
  827    HA   LYS 106           HA       LYS 106 -13.147  12.679  -2.100
  828   1HB   LYS 106          2HB       LYS 106 -11.581  13.316  -0.311
  829   2HB   LYS 106          3HB       LYS 106 -12.751  12.111   0.190
  830   1HG   LYS 106          2HG       LYS 106 -10.820  11.366   1.169
  831   2HG   LYS 106          3HG       LYS 106 -10.872  10.421  -0.315
  832   1HD   LYS 106          2HD       LYS 106  -8.644  11.165  -0.046
  833   2HD   LYS 106          3HD       LYS 106  -9.348  12.139  -1.334
  834   1HE   LYS 106          2HE       LYS 106  -8.073  13.565   0.134
  835   2HE   LYS 106          3HE       LYS 106  -9.789  13.927   0.331
  836   1HZ   LYS 106          1HZ       LYS 106  -8.040  12.361   2.150
  837   2HZ   LYS 106          2HZ       LYS 106  -9.729  12.369   2.283
  838   3HZ   LYS 106          3HZ       LYS 106  -8.862  13.810   2.489
  839    H    TYR 107           HN       TYR 107 -10.489  10.642  -3.103
  840    HA   TYR 107           HA       TYR 107  -8.980  12.916  -4.039
  841   1HB   TYR 107          2HB       TYR 107  -8.548   9.963  -4.303
  842   2HB   TYR 107          3HB       TYR 107  -7.618  11.097  -5.276
  843    HD1  TYR 107           1HD      TYR 107  -7.997   9.566  -1.992
  844    HD2  TYR 107           2HD      TYR 107  -6.185  12.776  -4.133
  845    HE1  TYR 107           1HE      TYR 107  -6.451   9.916  -0.158
  846    HE2  TYR 107           2HE      TYR 107  -4.618  13.124  -2.281
  847    HH   TYR 107           HH       TYR 107  -5.020  11.601   0.775
  848    H    LYS 108           HN       LYS 108 -10.967  10.393  -5.622
  849    HA   LYS 108           HA       LYS 108 -10.776  11.924  -8.090
  850   1HB   LYS 108          2HB       LYS 108 -11.992   9.264  -7.489
  851   2HB   LYS 108          3HB       LYS 108 -12.380  10.116  -8.967
  852   1HG   LYS 108          2HG       LYS 108 -10.686   8.579  -9.505
  853   2HG   LYS 108          3HG       LYS 108  -9.923  10.167  -9.476
  854   1HD   LYS 108          2HD       LYS 108  -8.548   8.443  -8.395
  855   2HD   LYS 108          3HD       LYS 108  -9.027   9.718  -7.267
  856   1HE   LYS 108          2HE       LYS 108  -9.276   7.514  -6.259
  857   2HE   LYS 108          3HE       LYS 108 -10.826   8.341  -6.444
  858   1HZ   LYS 108          1HZ       LYS 108 -11.075   6.050  -7.091
  859   2HZ   LYS 108          2HZ       LYS 108  -9.765   6.157  -8.170
  860   3HZ   LYS 108          3HZ       LYS 108 -11.188   7.016  -8.479
  861    H    SER 109           HN       SER 109 -13.365  11.394  -9.053
  862    HA   SER 109           HA       SER 109 -14.903  13.408  -7.652
  863   1HB   SER 109          2HB       SER 109 -16.445  13.184  -9.586
  864   2HB   SER 109          3HB       SER 109 -14.795  13.556 -10.072
  865    HG   SER 109           HG       SER 109 -15.528  11.906 -11.370
  866    H    GLU 110           HN       GLU 110 -17.305  11.946  -8.762
  867    HA   GLU 110           HA       GLU 110 -18.072  10.573  -6.372
  868   1HB   GLU 110          2HB       GLU 110 -20.170  10.110  -7.644
  869   2HB   GLU 110          3HB       GLU 110 -19.739  11.814  -7.578
  870   1HG   GLU 110          2HG       GLU 110 -18.838  11.689  -9.833
  871   2HG   GLU 110          3HG       GLU 110 -19.221   9.971  -9.902
  872    H    GLU 111           HN       GLU 111 -15.836   9.294  -7.297
  873    HA   GLU 111           HA       GLU 111 -16.416   7.030  -8.919
  874   1HB   GLU 111          2HB       GLU 111 -14.111   7.667  -7.071
  875   2HB   GLU 111          3HB       GLU 111 -14.180   6.211  -8.075
  876   1HG   GLU 111          2HG       GLU 111 -14.259   9.049  -9.093
  877   2HG   GLU 111          3HG       GLU 111 -12.847   7.995  -9.094
  878    HA   PRO 112           HA       PRO 112 -18.252   4.589  -5.730
  879   1HB   PRO 112          2HB       PRO 112 -18.505   2.392  -7.538
  880   2HB   PRO 112          3HB       PRO 112 -19.741   3.567  -7.085
  881   1HG   PRO 112          2HG       PRO 112 -18.604   3.339  -9.605
  882   2HG   PRO 112          3HG       PRO 112 -19.448   4.772  -8.991
  883   1HD   PRO 112          2HD       PRO 112 -16.516   4.224  -9.174
  884   2HD   PRO 112          3HD       PRO 112 -17.400   5.744  -9.432
  885    H    ASP 113           HN       ASP 113 -17.045   3.752  -4.189
  886    HA   ASP 113           HA       ASP 113 -14.772   2.047  -4.763
  887   1HB   ASP 113          2HB       ASP 113 -14.728   3.853  -3.008
  888   2HB   ASP 113          3HB       ASP 113 -15.917   2.936  -2.102
  889    H    ALA 114           HN       ALA 114 -15.905   0.966  -1.948
  890    HA   ALA 114           HA       ALA 114 -16.522  -1.604  -2.876
  891   1HB   ALA 114          1HB       ALA 114 -16.925  -0.233  -0.237
  892   2HB   ALA 114          2HB       ALA 114 -17.507  -1.875  -0.499
  893   3HB   ALA 114          3HB       ALA 114 -15.786  -1.512  -0.654
  894    H    GLU 115           HN       GLU 115 -18.564   1.056  -1.896
  895    HA   GLU 115           HA       GLU 115 -20.645   0.288  -3.648
  896   1HB   GLU 115          2HB       GLU 115 -21.137  -1.220  -1.725
  897   2HB   GLU 115          3HB       GLU 115 -21.239   0.188  -0.677
  898   1HG   GLU 115          2HG       GLU 115 -23.134   1.019  -1.982
  899   2HG   GLU 115          3HG       GLU 115 -23.039  -0.407  -3.015
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  13.763  14.794   6.593
    2   2H    MET   1          2H        MET   1  13.212  16.392   6.482
    3   3H    MET   1          3H        MET   1  13.589  15.731   7.995
    4    HA   MET   1           HA       MET   1  15.395  16.637   5.857
    5   1HB   MET   1          2HB       MET   1  14.845  18.140   7.712
    6   2HB   MET   1          3HB       MET   1  15.337  16.916   8.874
    7   1HG   MET   1          2HG       MET   1  17.636  17.047   8.002
    8   2HG   MET   1          3HG       MET   1  17.122  18.321   6.897
    9   1HE   MET   1          1HE       MET   1  19.050  20.073   7.927
   10   2HE   MET   1          2HE       MET   1  19.355  20.078   9.663
   11   3HE   MET   1          3HE       MET   1  19.537  18.586   8.739
   12    H    SER   2           HN       SER   2  17.331  15.718   5.485
   13    HA   SER   2           HA       SER   2  19.098  14.312   5.548
   14   1HB   SER   2          2HB       SER   2  18.197  13.646   8.360
   15   2HB   SER   2          3HB       SER   2  19.760  13.238   7.653
   16    HG   SER   2           HG       SER   2  19.988  15.123   8.845
   17    H    THR   3           HN       THR   3  16.136  12.921   6.851
   18    HA   THR   3           HA       THR   3  16.631  10.235   6.425
   19    HB   THR   3           HB       THR   3  14.110  10.055   6.262
   20    HG1  THR   3           1HG      THR   3  12.921  11.895   6.356
   21   1HG2  THR   3          1HG2      THR   3  13.773  10.522   8.568
   22   2HG2  THR   3          2HG2      THR   3  15.052  11.737   8.577
   23   3HG2  THR   3          3HG2      THR   3  15.459  10.031   8.400
   24    H    THR   4           HN       THR   4  16.539   8.888   4.771
   25    HA   THR   4           HA       THR   4  16.653   9.765   2.084
   26    HB   THR   4           HB       THR   4  16.074   6.985   3.144
   27    HG1  THR   4           1HG      THR   4  18.092   7.045   3.780
   28   1HG2  THR   4          1HG2      THR   4  15.646   7.324   0.705
   29   2HG2  THR   4          2HG2      THR   4  16.935   6.171   1.046
   30   3HG2  THR   4          3HG2      THR   4  17.331   7.807   0.523
   31    H    ILE   5           HN       ILE   5  14.082   8.897   4.197
   32    HA   ILE   5           HA       ILE   5  12.100   7.997   2.533
   33    HB   ILE   5           HB       ILE   5  11.731   9.768   4.937
   34   1HG1  ILE   5          2HG1      ILE   5  12.838   7.817   5.682
   35   2HG1  ILE   5          3HG1      ILE   5  11.125   7.570   6.016
   36   1HG2  ILE   5          1HG2      ILE   5   9.773   9.688   3.483
   37   2HG2  ILE   5          2HG2      ILE   5   9.771   7.930   3.606
   38   3HG2  ILE   5          3HG2      ILE   5   9.490   8.912   5.042
   39   1HD1  ILE   5          1HD1      ILE   5  11.286   6.404   3.636
   40   2HD1  ILE   5          2HD1      ILE   5  12.927   6.125   4.216
   41   3HD1  ILE   5          3HD1      ILE   5  11.550   5.570   5.177
   42    H    GLU   6           HN       GLU   6  13.089  11.342   3.053
   43    HA   GLU   6           HA       GLU   6  10.938  12.773   2.345
   44   1HB   GLU   6          2HB       GLU   6  13.760  13.311   1.421
   45   2HB   GLU   6          3HB       GLU   6  12.456  14.493   1.410
   46   1HG   GLU   6          2HG       GLU   6  13.597  13.126   3.835
   47   2HG   GLU   6          3HG       GLU   6  13.890  14.795   3.337
   48    H    LYS   7           HN       LYS   7  13.138  11.320  -0.037
   49    HA   LYS   7           HA       LYS   7  11.785  12.239  -2.340
   50   1HB   LYS   7          2HB       LYS   7  13.448   9.742  -1.957
   51   2HB   LYS   7          3HB       LYS   7  12.980  10.427  -3.509
   52   1HG   LYS   7          2HG       LYS   7  14.252  12.446  -3.009
   53   2HG   LYS   7          3HG       LYS   7  14.711  11.773  -1.444
   54   1HD   LYS   7          2HD       LYS   7  15.398  10.588  -4.135
   55   2HD   LYS   7          3HD       LYS   7  16.495  11.523  -3.115
   56   1HE   LYS   7          2HE       LYS   7  16.267   9.824  -1.348
   57   2HE   LYS   7          3HE       LYS   7  15.211   8.885  -2.404
   58   1HZ   LYS   7          1HZ       LYS   7  17.730   8.337  -2.277
   59   2HZ   LYS   7          2HZ       LYS   7  17.896   9.643  -3.339
   60   3HZ   LYS   7          3HZ       LYS   7  16.946   8.311  -3.779
   61    H    ILE   8           HN       ILE   8  11.488   9.295  -0.414
   62    HA   ILE   8           HA       ILE   8   9.589   8.019  -2.049
   63    HB   ILE   8           HB       ILE   8  10.240   7.583   0.866
   64   1HG1  ILE   8          2HG1      ILE   8  11.212   6.186  -1.637
   65   2HG1  ILE   8          3HG1      ILE   8  12.143   7.360  -0.714
   66   1HG2  ILE   8          1HG2      ILE   8   9.215   5.416   0.606
   67   2HG2  ILE   8          2HG2      ILE   8   8.048   6.680   0.212
   68   3HG2  ILE   8          3HG2      ILE   8   8.832   5.768  -1.080
   69   1HD1  ILE   8          1HD1      ILE   8  12.854   5.788   0.661
   70   2HD1  ILE   8          2HD1      ILE   8  11.203   5.261   0.998
   71   3HD1  ILE   8          3HD1      ILE   8  12.078   4.599  -0.386
   72    H    GLN   9           HN       GLN   9   9.211  10.097   0.829
   73    HA   GLN   9           HA       GLN   9   6.495   9.608   1.230
   74   1HB   GLN   9          2HB       GLN   9   8.171  12.011   1.857
   75   2HB   GLN   9          3HB       GLN   9   6.448  11.997   2.195
   76   1HG   GLN   9          2HG       GLN   9   6.721  10.109   3.670
   77   2HG   GLN   9          3HG       GLN   9   8.444  10.031   3.297
   78   1HE2  GLN   9          1HE2      GLN   9   9.704  10.979   4.741
   79   2HE2  GLN   9          2HE2      GLN   9   9.268  12.285   5.779
   80    H    ARG  10           HN       ARG  10   8.015  12.046  -0.842
   81    HA   ARG  10           HA       ARG  10   5.666  13.294  -1.724
   82   1HB   ARG  10          2HB       ARG  10   8.354  12.897  -2.972
   83   2HB   ARG  10          3HB       ARG  10   7.043  13.546  -3.935
   84   1HG   ARG  10          2HG       ARG  10   8.359  15.352  -3.136
   85   2HG   ARG  10          3HG       ARG  10   6.813  15.389  -2.303
   86   1HD   ARG  10          2HD       ARG  10   9.239  14.124  -1.082
   87   2HD   ARG  10          3HD       ARG  10   8.943  15.851  -0.962
   88    HE   ARG  10           HE       ARG  10   6.676  14.411  -0.071
   89   1HH1  ARG  10          2HH1      ARG  10   9.957  15.237   0.858
   90   2HH1  ARG  10          1HH1      ARG  10   9.635  15.159   2.567
   91   1HH2  ARG  10          2HH2      ARG  10   6.235  14.335   2.169
   92   2HH2  ARG  10          1HH2      ARG  10   7.503  14.674   3.313
   93    H    GLN  11           HN       GLN  11   7.188  10.286  -2.604
   94    HA   GLN  11           HA       GLN  11   5.614   9.724  -4.905
   95   1HB   GLN  11          2HB       GLN  11   7.751   8.633  -4.567
   96   2HB   GLN  11          3HB       GLN  11   7.183   7.910  -3.069
   97   1HG   GLN  11          2HG       GLN  11   5.531   6.615  -4.346
   98   2HG   GLN  11          3HG       GLN  11   6.166   7.312  -5.837
   99   1HE2  GLN  11          1HE2      GLN  11   6.285   4.689  -3.874
  100   2HE2  GLN  11          2HE2      GLN  11   7.824   4.055  -4.333
  101    H    ILE  12           HN       ILE  12   5.389   8.655  -1.515
  102    HA   ILE  12           HA       ILE  12   3.068   7.069  -1.929
  103    HB   ILE  12           HB       ILE  12   3.943   8.348   0.671
  104   1HG1  ILE  12          2HG1      ILE  12   4.817   5.742  -0.593
  105   2HG1  ILE  12          3HG1      ILE  12   5.837   7.132  -0.223
  106   1HG2  ILE  12          1HG2      ILE  12   2.173   6.014   0.002
  107   2HG2  ILE  12          2HG2      ILE  12   2.865   6.254   1.608
  108   3HG2  ILE  12          3HG2      ILE  12   1.776   7.467   0.925
  109   1HD1  ILE  12          1HD1      ILE  12   5.114   6.738   2.206
  110   2HD1  ILE  12          2HD1      ILE  12   4.632   5.138   1.640
  111   3HD1  ILE  12          3HD1      ILE  12   6.310   5.663   1.483
  112    H    ALA  13           HN       ALA  13   3.593  10.355  -0.931
  113    HA   ALA  13           HA       ALA  13   1.011  10.964  -0.093
  114   1HB   ALA  13          1HB       ALA  13   2.594  12.517   0.541
  115   2HB   ALA  13          2HB       ALA  13   3.297  12.618  -1.072
  116   3HB   ALA  13          3HB       ALA  13   1.736  13.369  -0.743
  117    H    GLU  14           HN       GLU  14   2.425  11.041  -3.325
  118    HA   GLU  14           HA       GLU  14   0.357  12.556  -4.468
  119   1HB   GLU  14          2HB       GLU  14   1.289  11.971  -6.640
  120   2HB   GLU  14          3HB       GLU  14   2.544  12.454  -5.508
  121   1HG   GLU  14          2HG       GLU  14   3.066  10.100  -5.118
  122   2HG   GLU  14          3HG       GLU  14   1.843   9.641  -6.300
  123    H    ASN  15           HN       ASN  15   0.774   9.016  -4.226
  124    HA   ASN  15           HA       ASN  15  -1.530   8.569  -5.891
  125   1HB   ASN  15          2HB       ASN  15  -1.231   6.182  -4.915
  126   2HB   ASN  15          3HB       ASN  15  -0.080   6.787  -6.082
  127   1HD2  ASN  15          1HD2      ASN  15   1.954   6.643  -5.590
  128   2HD2  ASN  15          2HD2      ASN  15   2.592   6.423  -3.998
  129    HA   PRO  16           HA       PRO  16  -4.733   8.935  -2.882
  130   1HB   PRO  16          2HB       PRO  16  -6.102   7.045  -4.718
  131   2HB   PRO  16          3HB       PRO  16  -6.615   8.654  -4.190
  132   1HG   PRO  16          2HG       PRO  16  -5.743   8.285  -6.662
  133   2HG   PRO  16          3HG       PRO  16  -5.235   9.724  -5.753
  134   1HD   PRO  16          2HD       PRO  16  -3.736   7.162  -6.224
  135   2HD   PRO  16          3HD       PRO  16  -3.168   8.841  -6.383
  136    H    ILE  17           HN       ILE  17  -4.005   5.830  -4.370
  137    HA   ILE  17           HA       ILE  17  -4.343   4.453  -1.791
  138    HB   ILE  17           HB       ILE  17  -5.313   3.357  -4.444
  139   1HG1  ILE  17          2HG1      ILE  17  -6.693   5.326  -3.852
  140   2HG1  ILE  17          3HG1      ILE  17  -7.602   3.822  -3.793
  141   1HG2  ILE  17          1HG2      ILE  17  -6.557   1.776  -2.984
  142   2HG2  ILE  17          2HG2      ILE  17  -4.800   1.645  -2.872
  143   3HG2  ILE  17          3HG2      ILE  17  -5.706   2.466  -1.599
  144   1HD1  ILE  17          1HD1      ILE  17  -6.546   4.360  -1.199
  145   2HD1  ILE  17          2HD1      ILE  17  -7.333   5.822  -1.809
  146   3HD1  ILE  17          3HD1      ILE  17  -8.230   4.301  -1.722
  147    H    LEU  18           HN       LEU  18  -2.470   3.373  -1.421
  148    HA   LEU  18           HA       LEU  18  -0.859   2.561  -3.735
  149   1HB   LEU  18          2HB       LEU  18  -0.166   4.688  -2.635
  150   2HB   LEU  18          3HB       LEU  18   0.147   3.775  -1.175
  151    HG   LEU  18           HG       LEU  18   1.902   2.518  -2.314
  152   1HD1  LEU  18          1HD1      LEU  18   0.588   3.470  -4.645
  153   2HD1  LEU  18          2HD1      LEU  18   2.241   4.085  -4.655
  154   3HD1  LEU  18          3HD1      LEU  18   1.947   2.352  -4.524
  155   1HD2  LEU  18          1HD2      LEU  18   2.650   4.476  -1.200
  156   2HD2  LEU  18          2HD2      LEU  18   3.407   4.527  -2.791
  157   3HD2  LEU  18          3HD2      LEU  18   1.995   5.534  -2.451
  158    H    LEU  19           HN       LEU  19   0.278   0.712  -3.603
  159    HA   LEU  19           HA       LEU  19   0.112  -0.892  -1.141
  160   1HB   LEU  19          2HB       LEU  19  -1.559  -1.844  -2.455
  161   2HB   LEU  19          3HB       LEU  19  -0.684  -1.563  -3.948
  162    HG   LEU  19           HG       LEU  19   0.893  -3.350  -3.366
  163   1HD1  LEU  19          1HD1      LEU  19  -0.050  -3.027  -0.780
  164   2HD1  LEU  19          2HD1      LEU  19  -0.761  -4.558  -1.289
  165   3HD1  LEU  19          3HD1      LEU  19   0.988  -4.336  -1.351
  166   1HD2  LEU  19          1HD2      LEU  19  -0.567  -5.175  -3.842
  167   2HD2  LEU  19          2HD2      LEU  19  -1.961  -4.290  -3.220
  168   3HD2  LEU  19          3HD2      LEU  19  -1.161  -3.747  -4.693
  169    H    TYR  20           HN       TYR  20   2.107  -1.471  -0.497
  170    HA   TYR  20           HA       TYR  20   4.214  -1.637  -2.537
  171   1HB   TYR  20          2HB       TYR  20   4.333  -1.352   0.452
  172   2HB   TYR  20          3HB       TYR  20   5.742  -1.800  -0.506
  173    HD1  TYR  20           1HD      TYR  20   3.039   0.797  -0.699
  174    HD2  TYR  20           2HD      TYR  20   7.183  -0.108  -0.951
  175    HE1  TYR  20           1HE      TYR  20   3.534   3.147  -1.167
  176    HE2  TYR  20           2HE      TYR  20   7.677   2.249  -1.415
  177    HH   TYR  20           HH       TYR  20   6.024   4.637  -0.768
  178    H    MET  21           HN       MET  21   4.785  -3.565  -3.269
  179    HA   MET  21           HA       MET  21   5.024  -5.740  -1.406
  180   1HB   MET  21          2HB       MET  21   3.806  -7.308  -2.965
  181   2HB   MET  21          3HB       MET  21   2.851  -6.254  -1.952
  182   1HG   MET  21          2HG       MET  21   1.860  -6.421  -4.116
  183   2HG   MET  21          3HG       MET  21   2.467  -4.789  -3.880
  184   1HE   MET  21          1HE       MET  21   5.276  -4.433  -6.433
  185   2HE   MET  21          2HE       MET  21   3.898  -3.591  -5.722
  186   3HE   MET  21          3HE       MET  21   5.127  -4.310  -4.681
  187    H    LYS  22           HN       LYS  22   5.247  -7.791  -3.524
  188    HA   LYS  22           HA       LYS  22   7.899  -6.999  -4.515
  189   1HB   LYS  22          2HB       LYS  22   7.684  -9.084  -3.108
  190   2HB   LYS  22          3HB       LYS  22   6.718  -9.786  -4.397
  191   1HG   LYS  22          2HG       LYS  22   8.592  -9.700  -5.913
  192   2HG   LYS  22          3HG       LYS  22   9.569  -8.853  -4.710
  193   1HD   LYS  22          2HD       LYS  22   9.323 -10.824  -3.211
  194   2HD   LYS  22          3HD       LYS  22   8.485 -11.664  -4.514
  195   1HE   LYS  22          2HE       LYS  22  11.318 -10.626  -4.625
  196   2HE   LYS  22          3HE       LYS  22  10.855 -12.303  -4.357
  197   1HZ   LYS  22          1HZ       LYS  22   9.580 -11.848  -6.627
  198   2HZ   LYS  22          2HZ       LYS  22  11.188 -12.380  -6.576
  199   3HZ   LYS  22          3HZ       LYS  22  10.846 -10.740  -6.817
  200    H    GLY  23           HN       GLY  23   7.847  -6.223  -6.489
  201   1HA   GLY  23          1HA       GLY  23   5.644  -6.951  -8.262
  202   2HA   GLY  23          2HA       GLY  23   6.755  -5.606  -8.485
  203    H    SER  24           HN       SER  24   6.669  -9.150  -8.472
  204    HA   SER  24           HA       SER  24   9.023  -9.335 -10.106
  205   1HB   SER  24          2HB       SER  24   7.016 -11.448  -9.304
  206   2HB   SER  24          3HB       SER  24   8.613 -11.745  -9.995
  207    HG   SER  24           HG       SER  24   9.219 -10.269  -8.058
  208    HA   PRO  25           HA       PRO  25   7.166  -9.046 -14.125
  209   1HB   PRO  25          2HB       PRO  25   8.713 -10.951 -15.413
  210   2HB   PRO  25          3HB       PRO  25   9.181  -9.265 -15.174
  211   1HG   PRO  25          2HG       PRO  25   9.966 -11.693 -13.620
  212   2HG   PRO  25          3HG       PRO  25  10.943 -10.282 -14.069
  213   1HD   PRO  25          2HD       PRO  25   9.961 -10.595 -11.587
  214   2HD   PRO  25          3HD       PRO  25  10.098  -8.992 -12.340
  215    H    LYS  26           HN       LYS  26   7.868 -12.242 -12.805
  216    HA   LYS  26           HA       LYS  26   5.945 -13.680 -14.302
  217   1HB   LYS  26          2HB       LYS  26   6.285 -15.475 -12.657
  218   2HB   LYS  26          3HB       LYS  26   7.805 -14.827 -13.245
  219   1HG   LYS  26          2HG       LYS  26   8.083 -13.558 -11.183
  220   2HG   LYS  26          3HG       LYS  26   6.526 -14.154 -10.598
  221   1HD   LYS  26          2HD       LYS  26   7.388 -16.455 -10.712
  222   2HD   LYS  26          3HD       LYS  26   8.951 -15.833 -11.246
  223   1HE   LYS  26          2HE       LYS  26   9.208 -14.636  -9.143
  224   2HE   LYS  26          3HE       LYS  26   7.617 -15.185  -8.617
  225   1HZ   LYS  26          1HZ       LYS  26  10.114 -16.723  -8.889
  226   2HZ   LYS  26          2HZ       LYS  26   8.625 -17.520  -9.023
  227   3HZ   LYS  26          3HZ       LYS  26   9.012 -16.685  -7.599
  228    H    LEU  27           HN       LEU  27   5.775 -11.885 -11.297
  229    HA   LEU  27           HA       LEU  27   2.876 -12.007 -11.285
  230   1HB   LEU  27          2HB       LEU  27   3.944 -14.108 -10.138
  231   2HB   LEU  27          3HB       LEU  27   4.362 -12.978  -8.859
  232    HG   LEU  27           HG       LEU  27   1.548 -13.629  -9.779
  233   1HD1  LEU  27          1HD1      LEU  27   3.349 -14.843  -7.831
  234   2HD1  LEU  27          2HD1      LEU  27   1.780 -14.393  -7.167
  235   3HD1  LEU  27          3HD1      LEU  27   1.868 -15.470  -8.559
  236   1HD2  LEU  27          1HD2      LEU  27   0.905 -12.460  -7.674
  237   2HD2  LEU  27          2HD2      LEU  27   2.570 -11.889  -7.550
  238   3HD2  LEU  27          3HD2      LEU  27   1.573 -11.405  -8.920
  239    HA   PRO  28           HA       PRO  28   4.278  -8.007  -9.741
  240   1HB   PRO  28          2HB       PRO  28   1.474  -7.215  -9.798
  241   2HB   PRO  28          3HB       PRO  28   2.824  -6.621 -10.762
  242   1HG   PRO  28          2HG       PRO  28   0.827  -8.113 -11.807
  243   2HG   PRO  28          3HG       PRO  28   2.487  -8.145 -12.430
  244   1HD   PRO  28          2HD       PRO  28   1.093 -10.093 -10.638
  245   2HD   PRO  28          3HD       PRO  28   2.215 -10.382 -11.978
  246    H    SER  29           HN       SER  29   3.511 -10.178  -7.862
  247    HA   SER  29           HA       SER  29   3.619  -8.655  -5.573
  248   1HB   SER  29          2HB       SER  29   1.505  -9.513  -4.483
  249   2HB   SER  29          3HB       SER  29   1.336  -8.200  -5.636
  250    HG   SER  29           HG       SER  29   0.502  -9.622  -7.108
  251    H    CYS  30           HN       CYS  30   5.284 -10.444  -6.432
  252    HA   CYS  30           HA       CYS  30   4.819 -13.123  -6.079
  253   1HB   CYS  30          2HB       CYS  30   6.790 -12.229  -7.195
  254   2HB   CYS  30          3HB       CYS  30   7.426 -11.663  -5.655
  255    HG   CYS  30           HG       CYS  30   7.037 -14.700  -4.991
  256    H    GLY  31           HN       GLY  31   5.812 -10.842  -3.580
  257   1HA   GLY  31          1HA       GLY  31   6.460 -12.785  -1.625
  258   2HA   GLY  31          2HA       GLY  31   6.155 -11.085  -1.323
  259    H    PHE  32           HN       PHE  32   4.806 -11.105   0.391
  260    HA   PHE  32           HA       PHE  32   2.785 -13.093   0.714
  261   1HB   PHE  32          2HB       PHE  32   3.452 -10.596   2.243
  262   2HB   PHE  32          3HB       PHE  32   2.038 -11.564   2.620
  263    HD1  PHE  32           1HD      PHE  32   2.202 -13.122   4.219
  264    HD2  PHE  32           2HD      PHE  32   5.706 -12.007   2.085
  265    HE1  PHE  32           1HE      PHE  32   3.557 -14.561   5.698
  266    HE2  PHE  32           2HE      PHE  32   7.067 -13.450   3.545
  267    HZ   PHE  32           HZ       PHE  32   5.991 -14.730   5.355
  268    H    SER  33           HN       SER  33   2.815  -9.757  -0.348
  269    HA   SER  33           HA       SER  33   0.185  -9.105  -0.045
  270   1HB   SER  33          2HB       SER  33   1.897  -7.501  -0.718
  271   2HB   SER  33          3HB       SER  33   1.962  -8.239  -2.318
  272    HG   SER  33           HG       SER  33  -0.361  -7.721  -2.418
  273    H    ALA  34           HN       ALA  34   1.294 -11.557  -2.058
  274    HA   ALA  34           HA       ALA  34  -0.350 -11.549  -4.273
  275   1HB   ALA  34          1HB       ALA  34   1.019 -13.341  -4.395
  276   2HB   ALA  34          2HB       ALA  34   0.977 -13.626  -2.655
  277   3HB   ALA  34          3HB       ALA  34  -0.357 -14.172  -3.671
  278    H    GLN  35           HN       GLN  35  -1.169 -12.574  -0.927
  279    HA   GLN  35           HA       GLN  35  -3.868 -13.188  -1.786
  280   1HB   GLN  35          2HB       GLN  35  -4.291 -14.073   0.304
  281   2HB   GLN  35          3HB       GLN  35  -2.552 -14.305   0.199
  282   1HG   GLN  35          2HG       GLN  35  -3.805 -11.968   1.595
  283   2HG   GLN  35          3HG       GLN  35  -3.443 -13.494   2.391
  284   1HE2  GLN  35          1HE2      GLN  35  -2.341 -10.478   1.705
  285   2HE2  GLN  35          2HE2      GLN  35  -0.656 -10.721   2.027
  286    H    ALA  36           HN       ALA  36  -2.160 -10.564  -0.249
  287    HA   ALA  36           HA       ALA  36  -4.362  -9.118   0.730
  288   1HB   ALA  36          1HB       ALA  36  -2.066  -8.786   1.521
  289   2HB   ALA  36          2HB       ALA  36  -1.635  -8.070  -0.037
  290   3HB   ALA  36          3HB       ALA  36  -2.812  -7.270   1.011
  291    H    VAL  37           HN       VAL  37  -2.581  -8.885  -2.293
  292    HA   VAL  37           HA       VAL  37  -3.681  -6.573  -3.344
  293    HB   VAL  37           HB       VAL  37  -1.776  -7.734  -4.352
  294   1HG1  VAL  37          1HG1      VAL  37  -2.604  -9.642  -6.031
  295   2HG1  VAL  37          2HG1      VAL  37  -1.999  -9.971  -4.407
  296   3HG1  VAL  37          3HG1      VAL  37  -3.738  -9.902  -4.705
  297   1HG2  VAL  37          1HG2      VAL  37  -3.849  -7.721  -6.507
  298   2HG2  VAL  37          2HG2      VAL  37  -3.424  -6.218  -5.678
  299   3HG2  VAL  37          3HG2      VAL  37  -2.183  -7.130  -6.543
  300    H    GLN  38           HN       GLN  38  -4.917  -9.842  -3.299
  301    HA   GLN  38           HA       GLN  38  -7.076  -9.469  -5.066
  302   1HB   GLN  38          2HB       GLN  38  -7.041 -11.391  -2.739
  303   2HB   GLN  38          3HB       GLN  38  -7.884 -11.571  -4.271
  304   1HG   GLN  38          2HG       GLN  38  -4.909 -11.679  -3.813
  305   2HG   GLN  38          3HG       GLN  38  -5.974 -13.031  -4.201
  306   1HE2  GLN  38          1HE2      GLN  38  -7.265 -10.750  -6.047
  307   2HE2  GLN  38          2HE2      GLN  38  -6.293 -10.852  -7.473
  308    H    ALA  39           HN       ALA  39  -6.812  -9.266  -1.556
  309    HA   ALA  39           HA       ALA  39  -9.494  -8.712  -0.964
  310   1HB   ALA  39          1HB       ALA  39  -8.085  -9.313   0.820
  311   2HB   ALA  39          2HB       ALA  39  -6.924  -8.039   0.440
  312   3HB   ALA  39          3HB       ALA  39  -8.506  -7.621   1.103
  313    H    LEU  40           HN       LEU  40  -6.790  -6.547  -1.687
  314    HA   LEU  40           HA       LEU  40  -8.063  -4.131  -1.084
  315   1HB   LEU  40          2HB       LEU  40  -5.587  -4.831  -1.797
  316   2HB   LEU  40          3HB       LEU  40  -6.149  -4.255  -3.343
  317    HG   LEU  40           HG       LEU  40  -5.865  -2.675  -0.797
  318   1HD1  LEU  40          1HD1      LEU  40  -4.285  -3.062  -3.182
  319   2HD1  LEU  40          2HD1      LEU  40  -4.657  -1.358  -2.907
  320   3HD1  LEU  40          3HD1      LEU  40  -3.858  -2.303  -1.649
  321   1HD2  LEU  40          1HD2      LEU  40  -7.677  -2.205  -3.014
  322   2HD2  LEU  40          2HD2      LEU  40  -7.571  -1.404  -1.445
  323   3HD2  LEU  40          3HD2      LEU  40  -6.541  -0.876  -2.777
  324    H    ALA  41           HN       ALA  41  -7.418  -5.552  -4.268
  325    HA   ALA  41           HA       ALA  41  -8.858  -3.700  -5.771
  326   1HB   ALA  41          1HB       ALA  41  -7.432  -4.972  -7.054
  327   2HB   ALA  41          2HB       ALA  41  -7.887  -6.479  -6.258
  328   3HB   ALA  41          3HB       ALA  41  -8.979  -5.733  -7.424
  329    H    ALA  42           HN       ALA  42  -9.805  -6.605  -4.124
  330    HA   ALA  42           HA       ALA  42 -12.385  -6.844  -5.311
  331   1HB   ALA  42          1HB       ALA  42 -12.816  -8.540  -3.746
  332   2HB   ALA  42          2HB       ALA  42 -11.086  -8.642  -4.075
  333   3HB   ALA  42          3HB       ALA  42 -11.658  -7.881  -2.590
  334    H    CYS  43           HN       CYS  43 -11.302  -5.502  -2.187
  335    HA   CYS  43           HA       CYS  43 -13.937  -4.890  -1.382
  336   1HB   CYS  43          2HB       CYS  43 -12.881  -3.744   0.509
  337   2HB   CYS  43          3HB       CYS  43 -12.174  -5.320   0.224
  338    HG   CYS  43           HG       CYS  43  -9.803  -4.482  -0.716
  339    H    GLY  44           HN       GLY  44 -11.283  -2.718  -2.410
  340   1HA   GLY  44          1HA       GLY  44 -13.282  -0.586  -2.713
  341   2HA   GLY  44          2HA       GLY  44 -11.540  -0.359  -2.611
  342    H    GLU  45           HN       GLU  45 -11.247   0.805  -4.413
  343    HA   GLU  45           HA       GLU  45 -12.205  -0.254  -6.966
  344   1HB   GLU  45          2HB       GLU  45 -11.633   1.928  -7.898
  345   2HB   GLU  45          3HB       GLU  45 -12.686   2.109  -6.502
  346   1HG   GLU  45          2HG       GLU  45 -10.922   2.863  -5.139
  347   2HG   GLU  45          3HG       GLU  45  -9.703   2.357  -6.306
  348    H    ARG  46           HN       ARG  46 -10.256   1.209  -8.445
  349    HA   ARG  46           HA       ARG  46  -8.054  -0.610  -8.515
  350   1HB   ARG  46          2HB       ARG  46  -7.144   1.199 -10.162
  351   2HB   ARG  46          3HB       ARG  46  -8.452   0.129 -10.640
  352   1HG   ARG  46          2HG       ARG  46  -8.877   2.409 -11.317
  353   2HG   ARG  46          3HG       ARG  46 -10.067   1.846 -10.144
  354   1HD   ARG  46          2HD       ARG  46  -8.778   3.009  -8.372
  355   2HD   ARG  46          3HD       ARG  46  -7.728   3.670  -9.628
  356    HE   ARG  46           HE       ARG  46 -10.341   4.589  -8.897
  357   1HH1  ARG  46          2HH1      ARG  46  -8.038   4.412 -11.531
  358   2HH1  ARG  46          1HH1      ARG  46  -8.873   5.577 -12.514
  359   1HH2  ARG  46          2HH2      ARG  46 -11.448   6.118 -10.176
  360   2HH2  ARG  46          1HH2      ARG  46 -10.826   6.543 -11.746
  361    H    PHE  47           HN       PHE  47  -5.815   0.067  -8.310
  362    HA   PHE  47           HA       PHE  47  -5.358   2.237  -6.404
  363   1HB   PHE  47          2HB       PHE  47  -4.463   0.718  -4.719
  364   2HB   PHE  47          3HB       PHE  47  -6.130   0.303  -5.081
  365    HD1  PHE  47           1HD      PHE  47  -6.696  -1.873  -5.588
  366    HD2  PHE  47           2HD      PHE  47  -2.626  -0.661  -5.931
  367    HE1  PHE  47           1HE      PHE  47  -6.026  -4.215  -5.942
  368    HE2  PHE  47           2HE      PHE  47  -1.953  -3.000  -6.298
  369    HZ   PHE  47           HZ       PHE  47  -3.660  -4.778  -6.309
  370    H    ALA  48           HN       ALA  48  -3.049   2.517  -5.937
  371    HA   ALA  48           HA       ALA  48  -1.381   1.661  -8.195
  372   1HB   ALA  48          1HB       ALA  48  -0.407   3.642  -6.207
  373   2HB   ALA  48          2HB       ALA  48  -0.093   3.529  -7.938
  374   3HB   ALA  48          3HB       ALA  48  -1.641   4.149  -7.360
  375    H    TYR  49           HN       TYR  49   0.709   0.795  -7.804
  376    HA   TYR  49           HA       TYR  49   1.096  -0.315  -5.104
  377   1HB   TYR  49          2HB       TYR  49   1.184  -2.524  -5.883
  378   2HB   TYR  49          3HB       TYR  49  -0.093  -1.856  -6.893
  379    HD1  TYR  49           1HD      TYR  49   0.139  -1.895  -9.269
  380    HD2  TYR  49           2HD      TYR  49   3.460  -2.699  -6.762
  381    HE1  TYR  49           1HE      TYR  49   1.428  -2.665 -11.228
  382    HE2  TYR  49           2HE      TYR  49   4.780  -3.433  -8.676
  383    HH   TYR  49           HH       TYR  49   3.643  -3.023 -11.955
  384    H    VAL  50           HN       VAL  50   3.311  -0.863  -4.675
  385    HA   VAL  50           HA       VAL  50   5.276   0.100  -6.655
  386    HB   VAL  50           HB       VAL  50   5.439   0.595  -3.667
  387   1HG1  VAL  50          1HG1      VAL  50   7.217   2.287  -4.737
  388   2HG1  VAL  50          2HG1      VAL  50   7.622   0.645  -4.237
  389   3HG1  VAL  50          3HG1      VAL  50   7.292   0.994  -5.936
  390   1HG2  VAL  50          1HG2      VAL  50   3.795   2.089  -4.327
  391   2HG2  VAL  50          2HG2      VAL  50   5.268   3.049  -4.461
  392   3HG2  VAL  50          3HG2      VAL  50   4.528   2.364  -5.908
  393    H    ASP  51           HN       ASP  51   6.819  -1.356  -7.019
  394    HA   ASP  51           HA       ASP  51   6.940  -3.702  -5.378
  395   1HB   ASP  51          2HB       ASP  51   8.781  -4.400  -6.939
  396   2HB   ASP  51          3HB       ASP  51   7.210  -4.130  -7.677
  397    H    ILE  52           HN       ILE  52   8.301  -4.161  -3.823
  398    HA   ILE  52           HA       ILE  52  10.620  -2.470  -3.357
  399    HB   ILE  52           HB       ILE  52   9.787  -2.565  -0.824
  400   1HG1  ILE  52          2HG1      ILE  52   7.363  -1.792  -0.899
  401   2HG1  ILE  52          3HG1      ILE  52   7.316  -2.477  -2.521
  402   1HG2  ILE  52          1HG2      ILE  52   9.984  -0.389  -1.025
  403   2HG2  ILE  52          2HG2      ILE  52  10.197  -0.651  -2.760
  404   3HG2  ILE  52          3HG2      ILE  52   8.597  -0.286  -2.113
  405   1HD1  ILE  52          1HD1      ILE  52   7.006  -4.501  -1.728
  406   2HD1  ILE  52          2HD1      ILE  52   8.387  -4.359  -0.640
  407   3HD1  ILE  52          3HD1      ILE  52   6.804  -3.769  -0.135
  408    H    LEU  53           HN       LEU  53   8.898  -5.453  -2.632
  409    HA   LEU  53           HA       LEU  53  11.160  -6.618  -1.272
  410   1HB   LEU  53          2HB       LEU  53   8.900  -7.992  -2.736
  411   2HB   LEU  53          3HB       LEU  53  10.180  -8.827  -1.887
  412    HG   LEU  53           HG       LEU  53   8.543  -8.926  -0.324
  413   1HD1  LEU  53          1HD1      LEU  53   8.851  -7.024   1.319
  414   2HD1  LEU  53          2HD1      LEU  53  10.281  -7.947   0.856
  415   3HD1  LEU  53          3HD1      LEU  53   9.988  -6.360   0.143
  416   1HD2  LEU  53          1HD2      LEU  53   6.834  -7.255   0.093
  417   2HD2  LEU  53          2HD2      LEU  53   7.567  -6.191  -1.106
  418   3HD2  LEU  53          3HD2      LEU  53   6.854  -7.726  -1.608
  419    H    GLN  54           HN       GLN  54  10.579  -5.494  -4.311
  420    HA   GLN  54           HA       GLN  54  12.467  -7.286  -5.620
  421   1HB   GLN  54          2HB       GLN  54  10.332  -6.844  -6.787
  422   2HB   GLN  54          3HB       GLN  54  10.690  -5.116  -6.777
  423   1HG   GLN  54          2HG       GLN  54  12.565  -7.039  -8.094
  424   2HG   GLN  54          3HG       GLN  54  11.108  -6.503  -8.921
  425   1HE2  GLN  54          1HE2      GLN  54  11.559  -3.879  -7.335
  426   2HE2  GLN  54          2HE2      GLN  54  12.723  -3.034  -8.288
  427    H    ASN  55           HN       ASN  55  11.999  -3.781  -4.933
  428    HA   ASN  55           HA       ASN  55  14.737  -3.185  -5.743
  429   1HB   ASN  55          2HB       ASN  55  12.669  -1.428  -4.402
  430   2HB   ASN  55          3HB       ASN  55  14.253  -0.886  -4.933
  431   1HD2  ASN  55          1HD2      ASN  55  11.149  -0.760  -5.666
  432   2HD2  ASN  55          2HD2      ASN  55  11.215  -0.683  -7.390
  433    HA   PRO  56           HA       PRO  56  16.203  -4.270  -1.624
  434   1HB   PRO  56          2HB       PRO  56  18.714  -3.128  -2.676
  435   2HB   PRO  56          3HB       PRO  56  18.410  -4.720  -1.971
  436   1HG   PRO  56          2HG       PRO  56  18.800  -4.461  -4.589
  437   2HG   PRO  56          3HG       PRO  56  17.578  -5.587  -3.961
  438   1HD   PRO  56          2HD       PRO  56  17.204  -2.820  -5.051
  439   2HD   PRO  56          3HD       PRO  56  16.285  -4.291  -5.428
  440    H    ASP  57           HN       ASP  57  17.163  -1.229  -3.206
  441    HA   ASP  57           HA       ASP  57  17.980   0.133  -0.911
  442   1HB   ASP  57          2HB       ASP  57  16.754   1.300  -3.422
  443   2HB   ASP  57          3HB       ASP  57  17.653   2.208  -2.218
  444    H    ILE  58           HN       ILE  58  14.913   0.417  -2.637
  445    HA   ILE  58           HA       ILE  58  13.719   2.175  -0.794
  446    HB   ILE  58           HB       ILE  58  12.304   0.328  -2.732
  447   1HG1  ILE  58          2HG1      ILE  58  13.423   3.111  -3.182
  448   2HG1  ILE  58          3HG1      ILE  58  14.080   1.625  -3.859
  449   1HG2  ILE  58          1HG2      ILE  58  10.435   1.571  -2.426
  450   2HG2  ILE  58          2HG2      ILE  58  11.168   1.844  -0.845
  451   3HG2  ILE  58          3HG2      ILE  58  11.335   3.056  -2.115
  452   1HD1  ILE  58          1HD1      ILE  58  11.410   2.868  -4.471
  453   2HD1  ILE  58          2HD1      ILE  58  12.810   2.754  -5.538
  454   3HD1  ILE  58          3HD1      ILE  58  11.941   1.293  -5.065
  455    H    ARG  59           HN       ARG  59  13.741  -1.304  -1.116
  456    HA   ARG  59           HA       ARG  59  11.732  -2.044   0.664
  457   1HB   ARG  59          2HB       ARG  59  12.859  -3.600  -0.849
  458   2HB   ARG  59          3HB       ARG  59  14.353  -3.410   0.051
  459   1HG   ARG  59          2HG       ARG  59  13.332  -4.457   1.997
  460   2HG   ARG  59          3HG       ARG  59  11.811  -4.624   1.116
  461   1HD   ARG  59          2HD       ARG  59  12.914  -6.037  -0.538
  462   2HD   ARG  59          3HD       ARG  59  14.446  -5.853   0.313
  463    HE   ARG  59           HE       ARG  59  12.584  -6.879   2.119
  464   1HH1  ARG  59          2HH1      ARG  59  14.183  -7.827  -0.843
  465   2HH1  ARG  59          1HH1      ARG  59  14.188  -9.523  -0.451
  466   1HH2  ARG  59          2HH2      ARG  59  12.568  -9.103   2.650
  467   2HH2  ARG  59          1HH2      ARG  59  13.267 -10.251   1.539
  468    H    ALA  60           HN       ALA  60  15.039  -1.029   1.266
  469    HA   ALA  60           HA       ALA  60  15.046  -2.061   3.914
  470   1HB   ALA  60          1HB       ALA  60  17.012  -1.686   2.283
  471   2HB   ALA  60          2HB       ALA  60  17.031  -0.051   2.943
  472   3HB   ALA  60          3HB       ALA  60  17.269  -1.436   4.011
  473    H    GLU  61           HN       GLU  61  15.081   1.289   2.710
  474    HA   GLU  61           HA       GLU  61  15.141   2.288   5.365
  475   1HB   GLU  61          2HB       GLU  61  14.786   3.788   2.775
  476   2HB   GLU  61          3HB       GLU  61  15.227   4.493   4.332
  477   1HG   GLU  61          2HG       GLU  61  16.855   2.546   2.714
  478   2HG   GLU  61          3HG       GLU  61  17.208   4.251   3.009
  479    H    LEU  62           HN       LEU  62  12.823   2.626   2.786
  480    HA   LEU  62           HA       LEU  62  11.086   4.323   4.029
  481   1HB   LEU  62          2HB       LEU  62  10.725   4.368   1.895
  482   2HB   LEU  62          3HB       LEU  62  11.186   2.685   1.673
  483    HG   LEU  62           HG       LEU  62   8.889   2.029   2.425
  484   1HD1  LEU  62          1HD1      LEU  62   7.317   4.133   1.850
  485   2HD1  LEU  62          2HD1      LEU  62   7.744   3.647   3.492
  486   3HD1  LEU  62          3HD1      LEU  62   8.635   4.946   2.698
  487   1HD2  LEU  62          1HD2      LEU  62   9.738   3.420   0.032
  488   2HD2  LEU  62          2HD2      LEU  62   8.972   1.843   0.223
  489   3HD2  LEU  62          3HD2      LEU  62   7.990   3.308   0.227
  490    HA   PRO  63           HA       PRO  63   8.276   0.562   5.333
  491   1HB   PRO  63          2HB       PRO  63   9.757  -1.507   6.327
  492   2HB   PRO  63          3HB       PRO  63   9.096  -1.476   4.688
  493   1HG   PRO  63          2HG       PRO  63  11.846  -0.742   5.624
  494   2HG   PRO  63          3HG       PRO  63  11.370  -1.757   4.246
  495   1HD   PRO  63          2HD       PRO  63  12.080   0.770   3.861
  496   2HD   PRO  63          3HD       PRO  63  10.703   0.084   2.970
  497    H    LYS  64           HN       LYS  64  11.505   1.009   6.647
  498    HA   LYS  64           HA       LYS  64  11.016   0.669   9.362
  499   1HB   LYS  64          2HB       LYS  64  12.849   2.786   8.268
  500   2HB   LYS  64          3HB       LYS  64  13.000   1.903   9.777
  501   1HG   LYS  64          2HG       LYS  64  13.414  -0.165   8.430
  502   2HG   LYS  64          3HG       LYS  64  13.439   0.862   6.997
  503   1HD   LYS  64          2HD       LYS  64  15.268   1.071   9.380
  504   2HD   LYS  64          3HD       LYS  64  15.705   0.516   7.762
  505   1HE   LYS  64          2HE       LYS  64  15.091   2.760   6.890
  506   2HE   LYS  64          3HE       LYS  64  14.789   3.287   8.539
  507   1HZ   LYS  64          1HZ       LYS  64  17.325   2.208   8.551
  508   2HZ   LYS  64          2HZ       LYS  64  16.913   3.854   8.621
  509   3HZ   LYS  64          3HZ       LYS  64  17.243   3.126   7.125
  510    H    TYR  65           HN       TYR  65  10.720   3.466   7.278
  511    HA   TYR  65           HA       TYR  65  10.176   5.311   9.273
  512   1HB   TYR  65          2HB       TYR  65  10.343   6.747   7.610
  513   2HB   TYR  65          3HB       TYR  65  10.576   5.381   6.546
  514    HD1  TYR  65           1HD      TYR  65   9.563   5.776   4.545
  515    HD2  TYR  65           2HD      TYR  65   7.501   6.905   8.104
  516    HE1  TYR  65           1HE      TYR  65   7.685   6.599   3.219
  517    HE2  TYR  65           2HE      TYR  65   5.605   7.677   6.758
  518    HH   TYR  65           HH       TYR  65   4.746   7.890   4.732
  519    H    ALA  66           HN       ALA  66   7.961   3.330   7.274
  520    HA   ALA  66           HA       ALA  66   5.646   4.588   8.359
  521   1HB   ALA  66          1HB       ALA  66   5.013   3.635   6.461
  522   2HB   ALA  66          2HB       ALA  66   6.266   2.396   6.545
  523   3HB   ALA  66          3HB       ALA  66   4.766   2.193   7.450
  524    H    ASN  67           HN       ASN  67   6.958   1.288   8.873
  525    HA   ASN  67           HA       ASN  67   6.822   1.394  11.642
  526   1HB   ASN  67          2HB       ASN  67   4.360   1.355  11.308
  527   2HB   ASN  67          3HB       ASN  67   4.516  -0.181  10.468
  528   1HD2  ASN  67          1HD2      ASN  67   3.677   1.174  13.274
  529   2HD2  ASN  67          2HD2      ASN  67   3.994  -0.142  14.362
  530    H    TRP  68           HN       TRP  68   6.076  -0.866   9.087
  531    HA   TRP  68           HA       TRP  68   7.159  -3.200  10.056
  532   1HB   TRP  68          2HB       TRP  68   6.579  -2.171   7.306
  533   2HB   TRP  68          3HB       TRP  68   7.377  -3.730   7.507
  534    HD1  TRP  68           1HD      TRP  68   5.748  -5.580   7.204
  535    HE1  TRP  68           1HE      TRP  68   3.283  -6.041   7.749
  536    HE3  TRP  68           3HE      TRP  68   4.534  -1.129   9.418
  537    HZ2  TRP  68           2HZ      TRP  68   1.118  -4.728   8.961
  538    HZ3  TRP  68           3HZ      TRP  68   2.236  -0.821  10.240
  539    HH2  TRP  68           2HH      TRP  68   0.563  -2.581  10.014
  540    HA   PRO  69           HA       PRO  69  11.603  -2.967   9.429
  541   1HB   PRO  69          2HB       PRO  69  12.053  -5.597   8.849
  542   2HB   PRO  69          3HB       PRO  69  11.843  -4.992  10.495
  543   1HG   PRO  69          2HG       PRO  69   9.886  -6.386   8.723
  544   2HG   PRO  69          3HG       PRO  69  10.131  -6.546  10.470
  545   1HD   PRO  69          2HD       PRO  69   8.103  -5.099   9.369
  546   2HD   PRO  69          3HD       PRO  69   8.827  -4.720  10.944
  547    H    THR  70           HN       THR  70   9.470  -4.692   7.252
  548    HA   THR  70           HA       THR  70  10.627  -3.346   4.950
  549    HB   THR  70           HB       THR  70  10.587  -5.453   3.589
  550    HG1  THR  70           1HG      THR  70   9.569  -6.504   5.802
  551   1HG2  THR  70          1HG2      THR  70  12.532  -4.929   5.780
  552   2HG2  THR  70          2HG2      THR  70  12.739  -4.804   4.031
  553   3HG2  THR  70          3HG2      THR  70  12.723  -6.389   4.806
  554    H    PHE  71           HN       PHE  71   8.803  -5.708   3.637
  555    HA   PHE  71           HA       PHE  71   6.245  -4.396   4.236
  556   1HB   PHE  71          2HB       PHE  71   7.281  -4.920   1.432
  557   2HB   PHE  71          3HB       PHE  71   5.733  -4.197   1.841
  558    HD1  PHE  71           1HD      PHE  71   5.540  -1.875   2.056
  559    HD2  PHE  71           2HD      PHE  71   9.402  -3.664   2.102
  560    HE1  PHE  71           1HE      PHE  71   6.574   0.363   1.930
  561    HE2  PHE  71           2HE      PHE  71  10.430  -1.452   1.976
  562    HZ   PHE  71           HZ       PHE  71   9.024   0.564   1.876
  563    HA   PRO  72           HA       PRO  72   4.676  -5.147   1.477
  564   1HB   PRO  72          2HB       PRO  72   2.115  -6.049   1.721
  565   2HB   PRO  72          3HB       PRO  72   3.279  -6.716   0.575
  566   1HG   PRO  72          2HG       PRO  72   2.433  -7.748   3.246
  567   2HG   PRO  72          3HG       PRO  72   2.762  -8.640   1.749
  568   1HD   PRO  72          2HD       PRO  72   4.533  -8.512   3.796
  569   2HD   PRO  72          3HD       PRO  72   5.034  -8.642   2.099
  570    H    GLN  73           HN       GLN  73   3.368  -3.388   1.735
  571    HA   GLN  73           HA       GLN  73   1.960  -2.986   4.262
  572   1HB   GLN  73          2HB       GLN  73   3.816  -0.871   3.160
  573   2HB   GLN  73          3HB       GLN  73   2.828  -0.775   4.603
  574   1HG   GLN  73          2HG       GLN  73   4.206  -2.480   5.667
  575   2HG   GLN  73          3HG       GLN  73   5.217  -2.550   4.219
  576   1HE2  GLN  73          1HE2      GLN  73   5.032  -1.267   7.217
  577   2HE2  GLN  73          2HE2      GLN  73   6.031   0.127   7.006
  578    H    LEU  74           HN       LEU  74   0.101  -1.927   3.933
  579    HA   LEU  74           HA       LEU  74  -0.485  -0.949   1.235
  580   1HB   LEU  74          2HB       LEU  74  -1.910  -2.719   2.283
  581   2HB   LEU  74          3HB       LEU  74  -2.376  -1.563   3.508
  582    HG   LEU  74           HG       LEU  74  -4.067  -1.935   1.699
  583   1HD1  LEU  74          1HD1      LEU  74  -3.275   0.911   1.453
  584   2HD1  LEU  74          2HD1      LEU  74  -4.849   0.193   1.796
  585   3HD1  LEU  74          3HD1      LEU  74  -3.628   0.285   3.064
  586   1HD2  LEU  74          1HD2      LEU  74  -2.034  -0.496   0.012
  587   2HD2  LEU  74          2HD2      LEU  74  -2.515  -2.184  -0.156
  588   3HD2  LEU  74          3HD2      LEU  74  -3.681  -0.899  -0.468
  589    H    TRP  75           HN       TRP  75  -0.884   1.164   0.865
  590    HA   TRP  75           HA       TRP  75  -0.993   2.948   3.208
  591   1HB   TRP  75          2HB       TRP  75   0.237   3.465   0.504
  592   2HB   TRP  75          3HB       TRP  75   0.009   4.693   1.741
  593    HD1  TRP  75           1HD      TRP  75   1.951   1.355   1.284
  594    HE1  TRP  75           1HE      TRP  75   4.071   1.502   2.762
  595    HE3  TRP  75           3HE      TRP  75   1.016   5.801   3.571
  596    HZ2  TRP  75           2HZ      TRP  75   5.156   3.267   4.668
  597    HZ3  TRP  75           3HZ      TRP  75   2.637   6.653   5.224
  598    HH2  TRP  75           2HH      TRP  75   4.660   5.409   5.752
  599    H    VAL  76           HN       VAL  76  -2.660   4.248   3.375
  600    HA   VAL  76           HA       VAL  76  -4.506   4.540   1.081
  601    HB   VAL  76           HB       VAL  76  -5.168   4.377   4.035
  602   1HG1  VAL  76          1HG1      VAL  76  -7.552   4.198   2.989
  603   2HG1  VAL  76          2HG1      VAL  76  -6.803   5.775   3.264
  604   3HG1  VAL  76          3HG1      VAL  76  -6.803   5.072   1.649
  605   1HG2  VAL  76          1HG2      VAL  76  -4.555   2.240   2.898
  606   2HG2  VAL  76          2HG2      VAL  76  -6.175   2.284   3.592
  607   3HG2  VAL  76          3HG2      VAL  76  -5.956   2.474   1.852
  608    H    ASP  77           HN       ASP  77  -4.668   6.646   0.437
  609    HA   ASP  77           HA       ASP  77  -4.550   8.942   0.429
  610   1HB   ASP  77          2HB       ASP  77  -6.372   8.649   2.062
  611   2HB   ASP  77          3HB       ASP  77  -5.162   8.541   3.340
  612    H    GLY  78           HN       GLY  78  -2.293   7.300   0.947
  613   1HA   GLY  78          1HA       GLY  78  -0.023   7.607   1.192
  614   2HA   GLY  78          2HA       GLY  78  -0.348   9.283   1.590
  615    H    GLU  79           HN       GLU  79  -1.823   6.650   3.382
  616    HA   GLU  79           HA       GLU  79   0.160   6.948   5.484
  617   1HB   GLU  79          2HB       GLU  79  -2.796   7.206   6.003
  618   2HB   GLU  79          3HB       GLU  79  -1.559   7.083   7.247
  619   1HG   GLU  79          2HG       GLU  79  -0.534   9.162   6.274
  620   2HG   GLU  79          3HG       GLU  79  -1.983   9.317   5.285
  621    H    LEU  80           HN       LEU  80   0.625   5.205   6.610
  622    HA   LEU  80           HA       LEU  80   0.140   2.750   5.397
  623   1HB   LEU  80          2HB       LEU  80   2.201   3.265   6.528
  624   2HB   LEU  80          3HB       LEU  80   1.365   3.456   8.063
  625    HG   LEU  80           HG       LEU  80   0.735   1.024   7.898
  626   1HD1  LEU  80          1HD1      LEU  80   2.525  -0.214   6.443
  627   2HD1  LEU  80          2HD1      LEU  80   0.993   0.322   5.748
  628   3HD1  LEU  80          3HD1      LEU  80   2.458   1.273   5.493
  629   1HD2  LEU  80          1HD2      LEU  80   3.522   0.654   8.050
  630   2HD2  LEU  80          2HD2      LEU  80   3.179   2.273   8.660
  631   3HD2  LEU  80          3HD2      LEU  80   2.376   0.875   9.372
  632    H    VAL  81           HN       VAL  81  -1.184   1.146   5.704
  633    HA   VAL  81           HA       VAL  81  -2.914   1.115   8.090
  634    HB   VAL  81           HB       VAL  81  -3.446  -0.024   5.332
  635   1HG1  VAL  81          1HG1      VAL  81  -4.238  -1.378   7.422
  636   2HG1  VAL  81          2HG1      VAL  81  -5.458  -0.110   7.542
  637   3HG1  VAL  81          3HG1      VAL  81  -5.351  -1.098   6.084
  638   1HG2  VAL  81          1HG2      VAL  81  -4.009   2.209   5.195
  639   2HG2  VAL  81          2HG2      VAL  81  -5.541   1.475   5.679
  640   3HG2  VAL  81          3HG2      VAL  81  -4.533   2.290   6.878
  641    H    GLY  82           HN       GLY  82  -1.357  -1.011   5.692
  642   1HA   GLY  82          1HA       GLY  82   0.352  -2.522   6.997
  643   2HA   GLY  82          2HA       GLY  82  -1.137  -3.162   7.677
  644    H    GLY  83           HN       GLY  83   1.066  -4.125   5.664
  645   1HA   GLY  83          1HA       GLY  83  -0.397  -4.350   3.224
  646   2HA   GLY  83          2HA       GLY  83   1.204  -4.980   3.533
  647    H    CYS  84           HN       CYS  84   1.061  -7.019   5.146
  648    HA   CYS  84           HA       CYS  84  -0.322  -8.863   3.488
  649   1HB   CYS  84          2HB       CYS  84   0.687 -10.588   5.028
  650   2HB   CYS  84          3HB       CYS  84   1.825  -9.511   4.229
  651    HG   CYS  84           HG       CYS  84   1.987 -10.261   7.230
  652    H    ASP  85           HN       ASP  85  -0.444  -8.714   7.039
  653    HA   ASP  85           HA       ASP  85  -2.838 -10.251   7.152
  654   1HB   ASP  85          2HB       ASP  85  -1.444  -8.587   9.263
  655   2HB   ASP  85          3HB       ASP  85  -2.794  -9.670   9.585
  656    H    ILE  86           HN       ILE  86  -2.098  -6.872   7.728
  657    HA   ILE  86           HA       ILE  86  -4.542  -6.108   8.691
  658    HB   ILE  86           HB       ILE  86  -2.645  -4.363   7.119
  659   1HG1  ILE  86          2HG1      ILE  86  -1.513  -5.549   8.960
  660   2HG1  ILE  86          3HG1      ILE  86  -1.655  -3.829   9.303
  661   1HG2  ILE  86          1HG2      ILE  86  -5.103  -3.673   7.817
  662   2HG2  ILE  86          2HG2      ILE  86  -4.327  -3.401   9.378
  663   3HG2  ILE  86          3HG2      ILE  86  -3.755  -2.542   7.947
  664   1HD1  ILE  86          1HD1      ILE  86  -3.054  -4.156  11.051
  665   2HD1  ILE  86          2HD1      ILE  86  -3.791  -5.594  10.340
  666   3HD1  ILE  86          3HD1      ILE  86  -2.199  -5.700  11.096
  667    H    VAL  87           HN       VAL  87  -3.447  -5.943   5.285
  668    HA   VAL  87           HA       VAL  87  -5.742  -4.762   4.219
  669    HB   VAL  87           HB       VAL  87  -3.868  -6.757   2.927
  670   1HG1  VAL  87          1HG1      VAL  87  -5.727  -4.934   1.435
  671   2HG1  VAL  87          2HG1      VAL  87  -4.855  -6.350   0.848
  672   3HG1  VAL  87          3HG1      VAL  87  -6.235  -6.548   1.928
  673   1HG2  VAL  87          1HG2      VAL  87  -3.168  -4.365   3.708
  674   2HG2  VAL  87          2HG2      VAL  87  -2.677  -4.966   2.125
  675   3HG2  VAL  87          3HG2      VAL  87  -4.043  -3.859   2.263
  676    H    ILE  88           HN       ILE  88  -4.997  -8.240   4.595
  677    HA   ILE  88           HA       ILE  88  -7.430  -9.142   3.534
  678    HB   ILE  88           HB       ILE  88  -5.576 -10.483   5.496
  679   1HG1  ILE  88          2HG1      ILE  88  -4.650 -10.052   3.252
  680   2HG1  ILE  88          3HG1      ILE  88  -4.874 -11.776   3.540
  681   1HG2  ILE  88          1HG2      ILE  88  -7.983 -11.274   5.596
  682   2HG2  ILE  88          2HG2      ILE  88  -7.767 -11.833   3.936
  683   3HG2  ILE  88          3HG2      ILE  88  -6.773 -12.505   5.230
  684   1HD1  ILE  88          1HD1      ILE  88  -5.599 -10.634   1.278
  685   2HD1  ILE  88          2HD1      ILE  88  -6.527 -11.959   1.984
  686   3HD1  ILE  88          3HD1      ILE  88  -7.066 -10.293   2.197
  687    H    GLU  89           HN       GLU  89  -6.479  -8.660   6.954
  688    HA   GLU  89           HA       GLU  89  -8.967  -9.488   7.962
  689   1HB   GLU  89          2HB       GLU  89  -6.916  -9.294   9.342
  690   2HB   GLU  89          3HB       GLU  89  -7.040  -7.542   9.245
  691   1HG   GLU  89          2HG       GLU  89  -9.185  -7.618  10.399
  692   2HG   GLU  89          3HG       GLU  89  -9.086  -9.374  10.476
  693    H    MET  90           HN       MET  90  -7.742  -6.191   7.328
  694    HA   MET  90           HA       MET  90 -10.092  -4.820   8.032
  695   1HB   MET  90          2HB       MET  90  -7.930  -4.085   6.057
  696   2HB   MET  90          3HB       MET  90  -9.218  -2.991   6.536
  697   1HG   MET  90          2HG       MET  90  -7.141  -4.199   8.346
  698   2HG   MET  90          3HG       MET  90  -7.201  -2.529   7.781
  699   1HE   MET  90          1HE       MET  90  -7.042  -3.367  10.987
  700   2HE   MET  90          2HE       MET  90  -6.894  -1.784  10.223
  701   3HE   MET  90          3HE       MET  90  -8.058  -2.031  11.526
  702    H    TYR  91           HN       TYR  91  -9.142  -6.372   5.027
  703    HA   TYR  91           HA       TYR  91 -11.283  -5.551   3.388
  704   1HB   TYR  91          2HB       TYR  91  -9.561  -6.627   2.271
  705   2HB   TYR  91          3HB       TYR  91  -9.395  -7.864   3.503
  706    HD1  TYR  91           1HD      TYR  91 -11.954  -6.784   0.931
  707    HD2  TYR  91           2HD      TYR  91  -9.978  -9.941   2.980
  708    HE1  TYR  91           1HE      TYR  91 -13.137  -8.434  -0.458
  709    HE2  TYR  91           2HE      TYR  91 -11.136 -11.586   1.606
  710    HH   TYR  91           HH       TYR  91 -13.179 -10.626  -1.102
  711    H    GLN  92           HN       GLN  92 -10.912  -8.428   5.435
  712    HA   GLN  92           HA       GLN  92 -13.491  -9.431   4.948
  713   1HB   GLN  92          2HB       GLN  92 -11.689  -9.889   7.329
  714   2HB   GLN  92          3HB       GLN  92 -13.102 -10.855   6.925
  715   1HG   GLN  92          2HG       GLN  92 -12.042 -11.497   4.805
  716   2HG   GLN  92          3HG       GLN  92 -10.616 -10.558   5.250
  717   1HE2  GLN  92          1HE2      GLN  92 -11.773 -13.562   5.070
  718   2HE2  GLN  92          2HE2      GLN  92 -10.841 -14.331   6.308
  719    H    ARG  93           HN       ARG  93 -12.204  -7.281   7.417
  720    HA   ARG  93           HA       ARG  93 -14.510  -7.076   9.041
  721   1HB   ARG  93          2HB       ARG  93 -12.407  -4.962   8.539
  722   2HB   ARG  93          3HB       ARG  93 -13.506  -5.032   9.901
  723   1HG   ARG  93          2HG       ARG  93 -11.305  -6.980   9.294
  724   2HG   ARG  93          3HG       ARG  93 -11.285  -5.729  10.538
  725   1HD   ARG  93          2HD       ARG  93 -13.175  -8.072  10.418
  726   2HD   ARG  93          3HD       ARG  93 -11.772  -7.932  11.475
  727    HE   ARG  93           HE       ARG  93 -13.462  -5.717  11.887
  728   1HH1  ARG  93          2HH1      ARG  93 -13.333  -9.173  12.449
  729   2HH1  ARG  93          1HH1      ARG  93 -14.334  -9.106  13.874
  730   1HH2  ARG  93          2HH2      ARG  93 -14.796  -5.621  13.717
  731   2HH2  ARG  93          1HH2      ARG  93 -15.213  -7.079  14.569
  732    H    GLY  94           HN       GLY  94 -13.493  -5.464   6.107
  733   1HA   GLY  94          1HA       GLY  94 -15.042  -4.348   4.621
  734   2HA   GLY  94          2HA       GLY  94 -16.046  -3.984   6.022
  735    H    GLU  95           HN       GLU  95 -13.551  -3.375   7.562
  736    HA   GLU  95           HA       GLU  95 -13.573  -0.634   7.484
  737   1HB   GLU  95          2HB       GLU  95 -11.324  -2.453   8.316
  738   2HB   GLU  95          3HB       GLU  95 -11.441  -0.745   8.720
  739   1HG   GLU  95          2HG       GLU  95 -13.462  -2.830   9.507
  740   2HG   GLU  95          3HG       GLU  95 -12.156  -2.250  10.531
  741    H    LEU  96           HN       LEU  96 -11.529  -2.799   5.620
  742    HA   LEU  96           HA       LEU  96  -9.641  -0.909   4.748
  743   1HB   LEU  96          2HB       LEU  96  -9.307  -3.349   4.597
  744   2HB   LEU  96          3HB       LEU  96 -10.528  -3.425   3.341
  745    HG   LEU  96           HG       LEU  96  -9.116  -1.996   1.902
  746   1HD1  LEU  96          1HD1      LEU  96  -6.605  -2.070   2.822
  747   2HD1  LEU  96          2HD1      LEU  96  -7.691  -0.704   3.080
  748   3HD1  LEU  96          3HD1      LEU  96  -7.471  -1.909   4.350
  749   1HD2  LEU  96          1HD2      LEU  96  -8.543  -4.696   2.754
  750   2HD2  LEU  96          2HD2      LEU  96  -8.541  -3.996   1.134
  751   3HD2  LEU  96          3HD2      LEU  96  -7.101  -3.883   2.147
  752    H    GLN  97           HN       GLN  97 -12.440  -2.247   3.019
  753    HA   GLN  97           HA       GLN  97 -12.302  -0.433   0.864
  754   1HB   GLN  97          2HB       GLN  97 -14.742  -1.047   0.544
  755   2HB   GLN  97          3HB       GLN  97 -13.570  -2.344   0.449
  756   1HG   GLN  97          2HG       GLN  97 -14.119  -2.905   2.818
  757   2HG   GLN  97          3HG       GLN  97 -15.406  -1.703   2.737
  758   1HE2  GLN  97          1HE2      GLN  97 -14.756  -4.887   2.502
  759   2HE2  GLN  97          2HE2      GLN  97 -16.078  -5.394   1.501
  760    H    GLN  98           HN       GLN  98 -13.518  -0.128   4.072
  761    HA   GLN  98           HA       GLN  98 -15.213   2.107   3.640
  762   1HB   GLN  98          2HB       GLN  98 -13.826   1.007   6.069
  763   2HB   GLN  98          3HB       GLN  98 -14.799   2.458   6.141
  764   1HG   GLN  98          2HG       GLN  98 -15.762  -0.259   5.284
  765   2HG   GLN  98          3HG       GLN  98 -16.047   0.492   6.853
  766   1HE2  GLN  98          1HE2      GLN  98 -17.992   1.322   7.058
  767   2HE2  GLN  98          2HE2      GLN  98 -18.948   2.011   5.791
  768    H    LEU  99           HN       LEU  99 -11.883   1.872   4.913
  769    HA   LEU  99           HA       LEU  99 -11.534   4.691   4.808
  770   1HB   LEU  99          2HB       LEU  99  -9.115   4.163   5.250
  771   2HB   LEU  99          3HB       LEU  99 -10.273   3.637   6.451
  772    HG   LEU  99           HG       LEU  99 -10.137   1.342   5.359
  773   1HD1  LEU  99          1HD1      LEU  99  -8.937   2.335   3.317
  774   2HD1  LEU  99          2HD1      LEU  99  -7.491   2.255   4.319
  775   3HD1  LEU  99          3HD1      LEU  99  -8.389   0.784   3.952
  776   1HD2  LEU  99          1HD2      LEU  99  -7.477   1.617   6.383
  777   2HD2  LEU  99          2HD2      LEU  99  -8.594   2.601   7.328
  778   3HD2  LEU  99          3HD2      LEU  99  -8.893   0.875   7.128
  779    H    ILE 100           HN       ILE 100 -10.828   2.074   2.570
  780    HA   ILE 100           HA       ILE 100  -9.291   3.600   0.727
  781    HB   ILE 100           HB       ILE 100 -11.056   1.191   0.246
  782   1HG1  ILE 100          2HG1      ILE 100  -9.066   0.781   1.661
  783   2HG1  ILE 100          3HG1      ILE 100  -8.976  -0.064   0.120
  784   1HG2  ILE 100          1HG2      ILE 100  -9.852   2.995  -1.649
  785   2HG2  ILE 100          2HG2      ILE 100  -9.170   1.374  -1.811
  786   3HG2  ILE 100          3HG2      ILE 100 -10.914   1.613  -1.928
  787   1HD1  ILE 100          1HD1      ILE 100  -7.721   2.432  -0.240
  788   2HD1  ILE 100          2HD1      ILE 100  -7.130   1.761   1.279
  789   3HD1  ILE 100          3HD1      ILE 100  -6.983   0.828  -0.210
  790    H    LYS 101           HN       LYS 101 -12.785   2.881   0.916
  791    HA   LYS 101           HA       LYS 101 -13.625   4.162  -1.383
  792   1HB   LYS 101          2HB       LYS 101 -15.101   2.771  -0.057
  793   2HB   LYS 101          3HB       LYS 101 -15.021   3.910   1.281
  794   1HG   LYS 101          2HG       LYS 101 -16.078   5.600  -0.138
  795   2HG   LYS 101          3HG       LYS 101 -16.238   4.405  -1.413
  796   1HD   LYS 101          2HD       LYS 101 -18.327   4.585  -0.207
  797   2HD   LYS 101          3HD       LYS 101 -17.597   3.010   0.112
  798   1HE   LYS 101          2HE       LYS 101 -18.470   3.960   2.165
  799   2HE   LYS 101          3HE       LYS 101 -16.711   3.867   2.237
  800   1HZ   LYS 101          1HZ       LYS 101 -16.795   5.998   2.827
  801   2HZ   LYS 101          2HZ       LYS 101 -18.420   6.164   2.375
  802   3HZ   LYS 101          3HZ       LYS 101 -17.198   6.352   1.217
  803    H    GLU 102           HN       GLU 102 -13.483   5.490   1.896
  804    HA   GLU 102           HA       GLU 102 -14.369   8.064   1.332
  805   1HB   GLU 102          2HB       GLU 102 -14.078   7.105   3.597
  806   2HB   GLU 102          3HB       GLU 102 -12.337   7.235   3.402
  807   1HG   GLU 102          2HG       GLU 102 -13.113   9.053   4.715
  808   2HG   GLU 102          3HG       GLU 102 -12.581   9.676   3.162
  809    H    THR 103           HN       THR 103 -11.110   6.720   1.353
  810    HA   THR 103           HA       THR 103  -9.745   9.100   0.675
  811    HB   THR 103           HB       THR 103  -8.911   6.228   0.330
  812    HG1  THR 103           1HG      THR 103  -9.132   6.451   2.467
  813   1HG2  THR 103          1HG2      THR 103  -6.627   7.154   0.445
  814   2HG2  THR 103          2HG2      THR 103  -7.316   8.776   0.388
  815   3HG2  THR 103          3HG2      THR 103  -7.515   7.686  -0.985
  816    H    ALA 104           HN       ALA 104 -10.759   6.317  -1.289
  817    HA   ALA 104           HA       ALA 104  -9.681   7.214  -3.715
  818   1HB   ALA 104          1HB       ALA 104 -10.309   4.987  -3.723
  819   2HB   ALA 104          2HB       ALA 104 -11.871   5.310  -2.969
  820   3HB   ALA 104          3HB       ALA 104 -11.605   5.734  -4.660
  821    H    ALA 105           HN       ALA 105 -12.851   7.689  -2.208
  822    HA   ALA 105           HA       ALA 105 -14.074   9.061  -4.324
  823   1HB   ALA 105          1HB       ALA 105 -15.070   8.068  -2.132
  824   2HB   ALA 105          2HB       ALA 105 -14.767   9.684  -1.488
  825   3HB   ALA 105          3HB       ALA 105 -15.823   9.473  -2.887
  826    H    LYS 106           HN       LYS 106 -12.186  10.259  -1.550
  827    HA   LYS 106           HA       LYS 106 -12.646  12.972  -2.238
  828   1HB   LYS 106          2HB       LYS 106 -10.921  13.504  -0.515
  829   2HB   LYS 106          3HB       LYS 106 -12.264  12.532   0.053
  830   1HG   LYS 106          2HG       LYS 106 -10.570  11.432   1.058
  831   2HG   LYS 106          3HG       LYS 106 -10.591  10.561  -0.473
  832   1HD   LYS 106          2HD       LYS 106  -8.322  11.067   0.060
  833   2HD   LYS 106          3HD       LYS 106  -8.810  12.100  -1.283
  834   1HE   LYS 106          2HE       LYS 106  -9.091  13.980   0.182
  835   2HE   LYS 106          3HE       LYS 106  -8.852  12.969   1.604
  836   1HZ   LYS 106          1HZ       LYS 106  -6.561  12.548   0.791
  837   2HZ   LYS 106          2HZ       LYS 106  -6.855  14.170   1.189
  838   3HZ   LYS 106          3HZ       LYS 106  -6.823  13.692  -0.439
  839    H    TYR 107           HN       TYR 107 -10.120  10.687  -3.114
  840    HA   TYR 107           HA       TYR 107  -8.586  12.776  -4.415
  841   1HB   TYR 107          2HB       TYR 107  -8.298   9.784  -4.432
  842   2HB   TYR 107          3HB       TYR 107  -7.332  10.829  -5.461
  843    HD1  TYR 107           1HD      TYR 107  -5.753  12.427  -4.438
  844    HD2  TYR 107           2HD      TYR 107  -7.770   9.472  -2.122
  845    HE1  TYR 107           1HE      TYR 107  -4.076  12.673  -2.667
  846    HE2  TYR 107           2HE      TYR 107  -6.116   9.727  -0.352
  847    HH   TYR 107           HH       TYR 107  -4.493  11.218   0.456
  848    H    LYS 108           HN       LYS 108 -10.702  10.101  -5.488
  849    HA   LYS 108           HA       LYS 108 -10.480  11.017  -8.240
  850   1HB   LYS 108          2HB       LYS 108 -11.904   8.662  -7.024
  851   2HB   LYS 108          3HB       LYS 108 -11.995   9.061  -8.725
  852   1HG   LYS 108          2HG       LYS 108 -10.409   7.361  -8.467
  853   2HG   LYS 108          3HG       LYS 108  -9.538   8.852  -8.831
  854   1HD   LYS 108          2HD       LYS 108  -9.222   9.133  -6.359
  855   2HD   LYS 108          3HD       LYS 108  -9.838   7.484  -6.180
  856   1HE   LYS 108          2HE       LYS 108  -7.550   8.315  -7.886
  857   2HE   LYS 108          3HE       LYS 108  -7.398   7.611  -6.273
  858   1HZ   LYS 108          1HZ       LYS 108  -8.266   6.343  -8.781
  859   2HZ   LYS 108          2HZ       LYS 108  -8.802   5.714  -7.295
  860   3HZ   LYS 108          3HZ       LYS 108  -7.138   5.789  -7.645
  861    H    SER 109           HN       SER 109 -13.179  10.076  -8.826
  862    HA   SER 109           HA       SER 109 -14.711  12.448  -8.157
  863   1HB   SER 109          2HB       SER 109 -14.770  11.498 -10.462
  864   2HB   SER 109          3HB       SER 109 -15.493  10.032  -9.804
  865    HG   SER 109           HG       SER 109 -16.768  12.124 -10.633
  866    H    GLU 110           HN       GLU 110 -17.159  10.852  -8.250
  867    HA   GLU 110           HA       GLU 110 -17.469  10.345  -5.448
  868   1HB   GLU 110          2HB       GLU 110 -19.354   9.801  -7.743
  869   2HB   GLU 110          3HB       GLU 110 -19.782   9.818  -6.038
  870   1HG   GLU 110          2HG       GLU 110 -19.267  12.179  -5.898
  871   2HG   GLU 110          3HG       GLU 110 -18.741  12.184  -7.581
  872    H    GLU 111           HN       GLU 111 -15.518   8.590  -6.021
  873    HA   GLU 111           HA       GLU 111 -16.372   6.091  -7.035
  874   1HB   GLU 111          2HB       GLU 111 -14.077   6.648  -5.143
  875   2HB   GLU 111          3HB       GLU 111 -14.293   5.180  -6.094
  876   1HG   GLU 111          2HG       GLU 111 -13.846   7.946  -7.189
  877   2HG   GLU 111          3HG       GLU 111 -12.643   6.665  -7.079
  878    HA   PRO 112           HA       PRO 112 -18.508   4.876  -3.340
  879   1HB   PRO 112          2HB       PRO 112 -20.231   3.260  -4.580
  880   2HB   PRO 112          3HB       PRO 112 -20.353   5.015  -4.705
  881   1HG   PRO 112          2HG       PRO 112 -19.547   3.038  -6.720
  882   2HG   PRO 112          3HG       PRO 112 -20.097   4.706  -6.946
  883   1HD   PRO 112          2HD       PRO 112 -17.388   3.688  -6.917
  884   2HD   PRO 112          3HD       PRO 112 -17.956   5.332  -7.252
  885    H    ASP 113           HN       ASP 113 -16.100   3.623  -3.610
  886    HA   ASP 113           HA       ASP 113 -15.832   1.073  -4.392
  887   1HB   ASP 113          2HB       ASP 113 -14.573   2.297  -1.945
  888   2HB   ASP 113          3HB       ASP 113 -14.024   0.812  -2.717
  889    H    ALA 114           HN       ALA 114 -16.448   1.803  -0.948
  890    HA   ALA 114           HA       ALA 114 -16.912  -0.968  -0.453
  891   1HB   ALA 114          1HB       ALA 114 -16.712   1.478   1.174
  892   2HB   ALA 114          2HB       ALA 114 -17.698   0.180   1.848
  893   3HB   ALA 114          3HB       ALA 114 -16.010  -0.123   1.430
  894    H    GLU 115           HN       GLU 115 -19.017   1.896  -0.191
  895    HA   GLU 115           HA       GLU 115 -21.329   0.393  -0.997
  896   1HB   GLU 115          2HB       GLU 115 -21.009  -0.278   1.379
  897   2HB   GLU 115          3HB       GLU 115 -21.103   1.411   1.848
  898   1HG   GLU 115          2HG       GLU 115 -23.402   1.517   1.102
  899   2HG   GLU 115          3HG       GLU 115 -23.316  -0.152   0.538
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  22.506  10.559  -1.622
    2   2H    MET   1          2H        MET   1  21.340   9.499  -0.998
    3   3H    MET   1          3H        MET   1  21.460  11.075  -0.388
    4    HA   MET   1           HA       MET   1  20.026  11.808  -1.852
    5   1HB   MET   1          2HB       MET   1  21.928  10.603  -3.868
    6   2HB   MET   1          3HB       MET   1  20.584  11.657  -4.289
    7   1HG   MET   1          2HG       MET   1  22.919  12.402  -2.539
    8   2HG   MET   1          3HG       MET   1  22.703  12.862  -4.228
    9   1HE   MET   1          1HE       MET   1  19.161  14.492  -3.851
   10   2HE   MET   1          2HE       MET   1  20.507  15.147  -4.786
   11   3HE   MET   1          3HE       MET   1  20.180  13.413  -4.803
   12    H    SER   2           HN       SER   2  21.017   8.527  -2.811
   13    HA   SER   2           HA       SER   2  18.669   7.819  -4.139
   14   1HB   SER   2          2HB       SER   2  20.546   6.042  -2.561
   15   2HB   SER   2          3HB       SER   2  19.375   5.489  -3.756
   16    HG   SER   2           HG       SER   2  21.732   5.921  -4.354
   17    H    THR   3           HN       THR   3  16.734   7.064  -3.524
   18    HA   THR   3           HA       THR   3  14.904   6.745  -2.253
   19    HB   THR   3           HB       THR   3  15.097   5.105  -0.422
   20    HG1  THR   3           1HG      THR   3  17.736   5.874  -0.517
   21   1HG2  THR   3          1HG2      THR   3  14.881   4.197  -2.589
   22   2HG2  THR   3          2HG2      THR   3  16.187   3.297  -1.818
   23   3HG2  THR   3          3HG2      THR   3  16.557   4.561  -2.991
   24    H    THR   4           HN       THR   4  15.913   6.320   0.839
   25    HA   THR   4           HA       THR   4  15.931   7.562   2.744
   26    HB   THR   4           HB       THR   4  16.018  10.007   0.952
   27    HG1  THR   4           1HG      THR   4  17.861   8.674   0.715
   28   1HG2  THR   4          1HG2      THR   4  16.351   9.623   3.921
   29   2HG2  THR   4          2HG2      THR   4  15.282  10.740   3.073
   30   3HG2  THR   4          3HG2      THR   4  17.023  11.019   3.076
   31    H    ILE   5           HN       ILE   5  14.283   7.955   4.039
   32    HA   ILE   5           HA       ILE   5  11.678   7.667   3.225
   33    HB   ILE   5           HB       ILE   5  12.783   8.852   5.764
   34   1HG1  ILE   5          2HG1      ILE   5  11.384   6.238   5.329
   35   2HG1  ILE   5          3HG1      ILE   5  13.125   6.391   5.069
   36   1HG2  ILE   5          1HG2      ILE   5   9.951   7.956   5.271
   37   2HG2  ILE   5          2HG2      ILE   5  10.610   8.675   6.743
   38   3HG2  ILE   5          3HG2      ILE   5  10.460   9.646   5.278
   39   1HD1  ILE   5          1HD1      ILE   5  12.346   5.510   7.317
   40   2HD1  ILE   5          2HD1      ILE   5  13.512   6.833   7.347
   41   3HD1  ILE   5          3HD1      ILE   5  11.804   7.153   7.653
   42    H    GLU   6           HN       GLU   6  13.413  10.687   3.742
   43    HA   GLU   6           HA       GLU   6  11.320  12.491   3.768
   44   1HB   GLU   6          2HB       GLU   6  13.984  12.851   2.385
   45   2HB   GLU   6          3HB       GLU   6  12.919  14.137   2.934
   46   1HG   GLU   6          2HG       GLU   6  13.280  13.505   5.234
   47   2HG   GLU   6          3HG       GLU   6  14.258  12.125   4.726
   48    H    LYS   7           HN       LYS   7  13.043  11.168   0.966
   49    HA   LYS   7           HA       LYS   7  11.401  12.442  -0.991
   50   1HB   LYS   7          2HB       LYS   7  13.183  10.009  -1.179
   51   2HB   LYS   7          3HB       LYS   7  12.414  10.785  -2.550
   52   1HG   LYS   7          2HG       LYS   7  14.395  12.149  -0.736
   53   2HG   LYS   7          3HG       LYS   7  14.819  11.344  -2.241
   54   1HD   LYS   7          2HD       LYS   7  14.654  13.637  -2.761
   55   2HD   LYS   7          3HD       LYS   7  13.186  12.896  -3.389
   56   1HE   LYS   7          2HE       LYS   7  12.594  14.953  -2.334
   57   2HE   LYS   7          3HE       LYS   7  12.014  13.628  -1.328
   58   1HZ   LYS   7          1HZ       LYS   7  14.214  13.952  -0.073
   59   2HZ   LYS   7          2HZ       LYS   7  12.969  15.075   0.181
   60   3HZ   LYS   7          3HZ       LYS   7  14.269  15.466  -0.838
   61    H    ILE   8           HN       ILE   8  11.475   9.217   0.485
   62    HA   ILE   8           HA       ILE   8   9.527   7.987  -1.024
   63    HB   ILE   8           HB       ILE   8  10.296   7.553   1.858
   64   1HG1  ILE   8          2HG1      ILE   8  11.061   6.101  -0.685
   65   2HG1  ILE   8          3HG1      ILE   8  12.075   7.266   0.158
   66   1HG2  ILE   8          1HG2      ILE   8   8.848   5.874   2.068
   67   2HG2  ILE   8          2HG2      ILE   8   7.995   6.630   0.721
   68   3HG2  ILE   8          3HG2      ILE   8   9.121   5.304   0.419
   69   1HD1  ILE   8          1HD1      ILE   8  12.050   4.532   0.510
   70   2HD1  ILE   8          2HD1      ILE   8  12.807   5.725   1.568
   71   3HD1  ILE   8          3HD1      ILE   8  11.174   5.153   1.909
   72    H    GLN   9           HN       GLN   9   9.089   9.894   1.966
   73    HA   GLN   9           HA       GLN   9   6.349   9.374   2.216
   74   1HB   GLN   9          2HB       GLN   9   8.029  11.672   3.186
   75   2HB   GLN   9          3HB       GLN   9   6.304  11.577   3.521
   76   1HG   GLN   9          2HG       GLN   9   6.673   9.416   4.637
   77   2HG   GLN   9          3HG       GLN   9   8.404   9.585   4.340
   78   1HE2  GLN   9          1HE2      GLN   9   9.410  10.114   6.126
   79   2HE2  GLN   9          2HE2      GLN   9   8.871  11.260   7.314
   80    H    ARG  10           HN       ARG  10   8.038  11.750   0.301
   81    HA   ARG  10           HA       ARG  10   5.806  13.288  -0.473
   82   1HB   ARG  10          2HB       ARG  10   8.335  12.687  -2.015
   83   2HB   ARG  10          3HB       ARG  10   7.166  13.930  -2.436
   84   1HG   ARG  10          2HG       ARG  10   8.863  13.827   0.050
   85   2HG   ARG  10          3HG       ARG  10   9.056  14.922  -1.320
   86   1HD   ARG  10          2HD       ARG  10   6.707  14.800   0.566
   87   2HD   ARG  10          3HD       ARG  10   7.945  16.053   0.520
   88    HE   ARG  10           HE       ARG  10   6.747  15.890  -2.014
   89   1HH1  ARG  10          2HH1      ARG  10   5.983  16.883   1.264
   90   2HH1  ARG  10          1HH1      ARG  10   4.749  18.005   0.762
   91   1HH2  ARG  10          2HH2      ARG  10   5.123  17.371  -2.651
   92   2HH2  ARG  10          1HH2      ARG  10   4.253  18.267  -1.440
   93    H    GLN  11           HN       GLN  11   7.114  10.240  -1.600
   94    HA   GLN  11           HA       GLN  11   5.424  10.053  -3.906
   95   1HB   GLN  11          2HB       GLN  11   7.211   8.111  -2.490
   96   2HB   GLN  11          3HB       GLN  11   6.073   7.537  -3.696
   97   1HG   GLN  11          2HG       GLN  11   8.262   7.839  -4.664
   98   2HG   GLN  11          3HG       GLN  11   7.117   8.967  -5.373
   99   1HE2  GLN  11          1HE2      GLN  11  10.165   8.639  -4.280
  100   2HE2  GLN  11          2HE2      GLN  11  10.524  10.287  -3.888
  101    H    ILE  12           HN       ILE  12   5.264   8.774  -0.611
  102    HA   ILE  12           HA       ILE  12   3.017   7.140  -1.110
  103    HB   ILE  12           HB       ILE  12   3.823   8.327   1.553
  104   1HG1  ILE  12          2HG1      ILE  12   4.744   5.809   0.145
  105   2HG1  ILE  12          3HG1      ILE  12   5.740   7.186   0.625
  106   1HG2  ILE  12          1HG2      ILE  12   1.977   6.131   0.710
  107   2HG2  ILE  12          2HG2      ILE  12   2.793   6.038   2.273
  108   3HG2  ILE  12          3HG2      ILE  12   1.736   7.405   1.908
  109   1HD1  ILE  12          1HD1      ILE  12   5.334   6.668   2.961
  110   2HD1  ILE  12          2HD1      ILE  12   4.333   5.295   2.489
  111   3HD1  ILE  12          3HD1      ILE  12   6.057   5.302   2.110
  112    H    ALA  13           HN       ALA  13   3.314  10.373   0.245
  113    HA   ALA  13           HA       ALA  13   0.659  10.783   0.941
  114   1HB   ALA  13          1HB       ALA  13   2.336  12.263   1.751
  115   2HB   ALA  13          2HB       ALA  13   2.773  12.759   0.117
  116   3HB   ALA  13          3HB       ALA  13   1.209  13.216   0.788
  117    H    GLU  14           HN       GLU  14   2.252  11.283  -2.171
  118    HA   GLU  14           HA       GLU  14   0.150  12.757  -3.315
  119   1HB   GLU  14          2HB       GLU  14   1.249  12.409  -5.462
  120   2HB   GLU  14          3HB       GLU  14   2.397  12.877  -4.218
  121   1HG   GLU  14          2HG       GLU  14   3.036  10.515  -3.978
  122   2HG   GLU  14          3HG       GLU  14   1.956  10.114  -5.311
  123    H    ASN  15           HN       ASN  15   0.746   9.285  -3.186
  124    HA   ASN  15           HA       ASN  15  -1.297   8.697  -5.132
  125   1HB   ASN  15          2HB       ASN  15   0.220   6.926  -3.214
  126   2HB   ASN  15          3HB       ASN  15  -0.937   6.326  -4.393
  127   1HD2  ASN  15          1HD2      ASN  15   2.225   6.833  -3.822
  128   2HD2  ASN  15          2HD2      ASN  15   2.805   6.900  -5.446
  129    HA   PRO  16           HA       PRO  16  -4.819   9.123  -2.453
  130   1HB   PRO  16          2HB       PRO  16  -5.999   7.294  -4.479
  131   2HB   PRO  16          3HB       PRO  16  -6.588   8.866  -3.925
  132   1HG   PRO  16          2HG       PRO  16  -5.475   8.633  -6.314
  133   2HG   PRO  16          3HG       PRO  16  -5.083  10.030  -5.290
  134   1HD   PRO  16          2HD       PRO  16  -3.484   7.544  -5.795
  135   2HD   PRO  16          3HD       PRO  16  -2.943   9.235  -5.721
  136    H    ILE  17           HN       ILE  17  -4.082   6.037  -3.931
  137    HA   ILE  17           HA       ILE  17  -4.622   4.656  -1.393
  138    HB   ILE  17           HB       ILE  17  -5.466   3.608  -4.110
  139   1HG1  ILE  17          2HG1      ILE  17  -6.867   5.553  -3.557
  140   2HG1  ILE  17          3HG1      ILE  17  -7.787   4.055  -3.504
  141   1HG2  ILE  17          1HG2      ILE  17  -6.775   1.990  -2.756
  142   2HG2  ILE  17          2HG2      ILE  17  -5.026   1.852  -2.554
  143   3HG2  ILE  17          3HG2      ILE  17  -5.997   2.642  -1.308
  144   1HD1  ILE  17          1HD1      ILE  17  -6.813   4.549  -0.892
  145   2HD1  ILE  17          2HD1      ILE  17  -7.488   6.067  -1.506
  146   3HD1  ILE  17          3HD1      ILE  17  -8.480   4.601  -1.468
  147    H    LEU  18           HN       LEU  18  -2.770   3.578  -0.913
  148    HA   LEU  18           HA       LEU  18  -1.051   2.856  -3.186
  149   1HB   LEU  18          2HB       LEU  18  -0.477   5.012  -2.037
  150   2HB   LEU  18          3HB       LEU  18  -0.121   4.080  -0.599
  151    HG   LEU  18           HG       LEU  18   1.679   2.913  -1.779
  152   1HD1  LEU  18          1HD1      LEU  18   0.587   3.064  -4.030
  153   2HD1  LEU  18          2HD1      LEU  18   1.101   4.751  -4.095
  154   3HD1  LEU  18          3HD1      LEU  18   2.305   3.466  -4.014
  155   1HD2  LEU  18          1HD2      LEU  18   3.066   5.043  -2.280
  156   2HD2  LEU  18          2HD2      LEU  18   1.637   5.917  -1.730
  157   3HD2  LEU  18          3HD2      LEU  18   2.462   4.800  -0.641
  158    H    LEU  19           HN       LEU  19   0.193   1.101  -3.020
  159    HA   LEU  19           HA       LEU  19  -0.022  -0.555  -0.607
  160   1HB   LEU  19          2HB       LEU  19  -1.680  -1.489  -1.951
  161   2HB   LEU  19          3HB       LEU  19  -0.797  -1.174  -3.430
  162    HG   LEU  19           HG       LEU  19   0.767  -2.978  -2.893
  163   1HD1  LEU  19          1HD1      LEU  19  -0.714  -4.407  -0.926
  164   2HD1  LEU  19          2HD1      LEU  19   0.938  -3.792  -0.815
  165   3HD1  LEU  19          3HD1      LEU  19  -0.416  -2.786  -0.294
  166   1HD2  LEU  19          1HD2      LEU  19  -0.763  -4.805  -3.332
  167   2HD2  LEU  19          2HD2      LEU  19  -2.126  -3.818  -2.804
  168   3HD2  LEU  19          3HD2      LEU  19  -1.222  -3.370  -4.251
  169    H    TYR  20           HN       TYR  20   1.968  -1.108   0.041
  170    HA   TYR  20           HA       TYR  20   4.085  -1.131  -1.981
  171   1HB   TYR  20          2HB       TYR  20   4.121  -0.899   1.006
  172   2HB   TYR  20          3HB       TYR  20   5.562  -1.407   0.127
  173    HD1  TYR  20           1HD      TYR  20   7.074   0.284  -0.045
  174    HD2  TYR  20           2HD      TYR  20   2.948   1.227  -0.469
  175    HE1  TYR  20           1HE      TYR  20   7.663   2.605  -0.542
  176    HE2  TYR  20           2HE      TYR  20   3.538   3.553  -0.966
  177    HH   TYR  20           HH       TYR  20   6.519   4.873  -0.384
  178    H    MET  21           HN       MET  21   4.614  -2.951  -2.847
  179    HA   MET  21           HA       MET  21   4.814  -5.326  -1.214
  180   1HB   MET  21          2HB       MET  21   3.580  -6.654  -2.913
  181   2HB   MET  21          3HB       MET  21   2.587  -5.560  -1.973
  182   1HG   MET  21          2HG       MET  21   2.552  -4.002  -3.867
  183   2HG   MET  21          3HG       MET  21   3.519  -5.144  -4.807
  184   1HE   MET  21          1HE       MET  21   1.406  -4.109  -6.059
  185   2HE   MET  21          2HE       MET  21   0.935  -5.613  -6.849
  186   3HE   MET  21          3HE       MET  21  -0.243  -4.714  -5.893
  187    H    LYS  22           HN       LYS  22   5.276  -7.169  -3.286
  188    HA   LYS  22           HA       LYS  22   7.787  -6.079  -4.336
  189   1HB   LYS  22          2HB       LYS  22   7.881  -8.180  -2.990
  190   2HB   LYS  22          3HB       LYS  22   6.902  -8.970  -4.217
  191   1HG   LYS  22          2HG       LYS  22   8.637  -8.817  -5.832
  192   2HG   LYS  22          3HG       LYS  22   9.575  -7.717  -4.816
  193   1HD   LYS  22          2HD       LYS  22   9.818  -9.512  -3.142
  194   2HD   LYS  22          3HD       LYS  22   8.940 -10.605  -4.210
  195   1HE   LYS  22          2HE       LYS  22  11.514  -9.225  -4.954
  196   2HE   LYS  22          3HE       LYS  22  11.431 -10.841  -4.262
  197   1HZ   LYS  22          1HZ       LYS  22   9.694 -10.667  -6.473
  198   2HZ   LYS  22          2HZ       LYS  22  11.037 -11.671  -6.255
  199   3HZ   LYS  22          3HZ       LYS  22  11.230 -10.125  -6.934
  200    H    GLY  23           HN       GLY  23   7.400  -5.107  -6.147
  201   1HA   GLY  23          1HA       GLY  23   5.434  -6.161  -8.029
  202   2HA   GLY  23          2HA       GLY  23   6.222  -4.591  -8.118
  203    H    SER  24           HN       SER  24   6.970  -8.032  -8.242
  204    HA   SER  24           HA       SER  24   9.379  -7.617  -9.716
  205   1HB   SER  24          2HB       SER  24   8.897  -9.522  -8.106
  206   2HB   SER  24          3HB       SER  24   7.852 -10.203  -9.347
  207    HG   SER  24           HG       SER  24   9.672 -10.364 -10.714
  208    HA   PRO  25           HA       PRO  25   7.812  -7.166 -13.817
  209   1HB   PRO  25          2HB       PRO  25   9.930  -9.153 -14.535
  210   2HB   PRO  25          3HB       PRO  25   9.558  -7.591 -15.274
  211   1HG   PRO  25          2HG       PRO  25  11.640  -7.843 -13.637
  212   2HG   PRO  25          3HG       PRO  25  10.625  -6.391 -13.599
  213   1HD   PRO  25          2HD       PRO  25  10.752  -8.668 -11.683
  214   2HD   PRO  25          3HD       PRO  25  10.398  -6.955 -11.381
  215    H    LYS  26           HN       LYS  26   8.671 -10.475 -12.828
  216    HA   LYS  26           HA       LYS  26   6.910 -11.797 -14.613
  217   1HB   LYS  26          2HB       LYS  26   7.226 -13.771 -13.197
  218   2HB   LYS  26          3HB       LYS  26   8.755 -12.991 -13.566
  219   1HG   LYS  26          2HG       LYS  26   8.896 -12.060 -11.375
  220   2HG   LYS  26          3HG       LYS  26   7.255 -12.581 -10.990
  221   1HD   LYS  26          2HD       LYS  26   9.578 -14.415 -11.588
  222   2HD   LYS  26          3HD       LYS  26   8.962 -14.039  -9.977
  223   1HE   LYS  26          2HE       LYS  26   6.778 -14.978 -10.617
  224   2HE   LYS  26          3HE       LYS  26   7.432 -15.391 -12.200
  225   1HZ   LYS  26          1HZ       LYS  26   7.995 -17.322 -11.303
  226   2HZ   LYS  26          2HZ       LYS  26   7.655 -16.792  -9.727
  227   3HZ   LYS  26          3HZ       LYS  26   9.182 -16.502 -10.411
  228    H    LEU  27           HN       LEU  27   6.496 -10.502 -11.364
  229    HA   LEU  27           HA       LEU  27   3.597 -10.837 -11.500
  230   1HB   LEU  27          2HB       LEU  27   4.906 -12.947 -10.611
  231   2HB   LEU  27          3HB       LEU  27   5.111 -11.964  -9.170
  232    HG   LEU  27           HG       LEU  27   2.452 -12.828 -10.341
  233   1HD1  LEU  27          1HD1      LEU  27   3.161 -13.771  -7.685
  234   2HD1  LEU  27          2HD1      LEU  27   2.533 -14.657  -9.075
  235   3HD1  LEU  27          3HD1      LEU  27   4.265 -14.350  -8.933
  236   1HD2  LEU  27          1HD2      LEU  27   2.958 -10.668  -8.703
  237   2HD2  LEU  27          2HD2      LEU  27   1.411 -11.495  -8.898
  238   3HD2  LEU  27          3HD2      LEU  27   2.493 -11.946  -7.579
  239    HA   PRO  28           HA       PRO  28   4.526  -6.961  -9.403
  240   1HB   PRO  28          2HB       PRO  28   1.638  -6.560  -9.287
  241   2HB   PRO  28          3HB       PRO  28   2.860  -5.643 -10.162
  242   1HG   PRO  28          2HG       PRO  28   1.053  -7.220 -11.397
  243   2HG   PRO  28          3HG       PRO  28   2.682  -6.939 -12.034
  244   1HD   PRO  28          2HD       PRO  28   1.604  -9.305 -10.563
  245   2HD   PRO  28          3HD       PRO  28   2.734  -9.227 -11.925
  246    H    SER  29           HN       SER  29   3.755  -9.568  -7.875
  247    HA   SER  29           HA       SER  29   3.745  -8.306  -5.346
  248   1HB   SER  29          2HB       SER  29   1.658  -9.465  -4.550
  249   2HB   SER  29          3HB       SER  29   1.416  -8.100  -5.632
  250    HG   SER  29           HG       SER  29   0.545  -9.398  -7.041
  251    H    CYS  30           HN       CYS  30   5.634  -9.782  -6.310
  252    HA   CYS  30           HA       CYS  30   5.436 -12.585  -5.906
  253   1HB   CYS  30          2HB       CYS  30   7.043 -11.494  -7.429
  254   2HB   CYS  30          3HB       CYS  30   7.865 -10.824  -6.027
  255    HG   CYS  30           HG       CYS  30   8.515 -13.429  -5.022
  256    H    GLY  31           HN       GLY  31   4.414 -11.853  -3.632
  257   1HA   GLY  31          1HA       GLY  31   6.220 -12.901  -1.659
  258   2HA   GLY  31          2HA       GLY  31   5.874 -11.194  -1.407
  259    H    PHE  32           HN       PHE  32   4.542 -11.208   0.370
  260    HA   PHE  32           HA       PHE  32   2.397 -13.128   0.603
  261   1HB   PHE  32          2HB       PHE  32   3.053 -10.648   2.188
  262   2HB   PHE  32          3HB       PHE  32   1.608 -11.607   2.471
  263    HD1  PHE  32           1HD      PHE  32   5.317 -11.961   2.295
  264    HD2  PHE  32           2HD      PHE  32   1.639 -13.263   3.984
  265    HE1  PHE  32           1HE      PHE  32   6.559 -13.427   3.839
  266    HE2  PHE  32           2HE      PHE  32   2.871 -14.725   5.549
  267    HZ   PHE  32           HZ       PHE  32   5.334 -14.805   5.474
  268    H    SER  33           HN       SER  33   2.867  -9.828  -0.325
  269    HA   SER  33           HA       SER  33   0.391  -8.794  -0.359
  270   1HB   SER  33          2HB       SER  33   1.186  -7.421  -2.289
  271   2HB   SER  33          3HB       SER  33   2.276  -7.483  -0.901
  272    HG   SER  33           HG       SER  33   2.611  -8.443  -3.461
  273    H    ALA  34           HN       ALA  34   1.500 -11.310  -2.496
  274    HA   ALA  34           HA       ALA  34  -0.260 -11.115  -4.630
  275   1HB   ALA  34          1HB       ALA  34   0.685 -13.058  -5.156
  276   2HB   ALA  34          2HB       ALA  34   1.470 -13.074  -3.577
  277   3HB   ALA  34          3HB       ALA  34  -0.101 -13.848  -3.788
  278    H    GLN  35           HN       GLN  35  -0.845 -12.432  -1.373
  279    HA   GLN  35           HA       GLN  35  -3.584 -13.034  -2.014
  280   1HB   GLN  35          2HB       GLN  35  -3.735 -13.521   0.501
  281   2HB   GLN  35          3HB       GLN  35  -2.721 -14.535  -0.489
  282   1HG   GLN  35          2HG       GLN  35  -1.461 -14.263   1.372
  283   2HG   GLN  35          3HG       GLN  35  -0.793 -13.073   0.269
  284   1HE2  GLN  35          1HE2      GLN  35  -0.833 -11.026   0.789
  285   2HE2  GLN  35          2HE2      GLN  35  -1.345 -10.400   2.314
  286    H    ALA  36           HN       ALA  36  -1.916 -10.434  -0.385
  287    HA   ALA  36           HA       ALA  36  -4.205  -9.142   0.669
  288   1HB   ALA  36          1HB       ALA  36  -1.667  -7.696   0.010
  289   2HB   ALA  36          2HB       ALA  36  -2.780  -7.445   1.356
  290   3HB   ALA  36          3HB       ALA  36  -1.736  -8.866   1.329
  291    H    VAL  37           HN       VAL  37  -2.369  -8.704  -2.292
  292    HA   VAL  37           HA       VAL  37  -3.532  -6.337  -3.215
  293    HB   VAL  37           HB       VAL  37  -1.526  -7.323  -4.244
  294   1HG1  VAL  37          1HG1      VAL  37  -1.995  -9.104  -6.057
  295   2HG1  VAL  37          2HG1      VAL  37  -1.812  -9.605  -4.375
  296   3HG1  VAL  37          3HG1      VAL  37  -3.420  -9.468  -5.086
  297   1HG2  VAL  37          1HG2      VAL  37  -3.550  -7.190  -6.443
  298   2HG2  VAL  37          2HG2      VAL  37  -3.175  -5.757  -5.479
  299   3HG2  VAL  37          3HG2      VAL  37  -1.899  -6.561  -6.399
  300    H    GLN  38           HN       GLN  38  -4.566  -9.670  -3.516
  301    HA   GLN  38           HA       GLN  38  -6.720  -9.220  -5.281
  302   1HB   GLN  38          2HB       GLN  38  -6.595 -11.407  -3.208
  303   2HB   GLN  38          3HB       GLN  38  -7.406 -11.440  -4.767
  304   1HG   GLN  38          2HG       GLN  38  -4.431 -11.452  -4.269
  305   2HG   GLN  38          3HG       GLN  38  -5.422 -12.795  -4.841
  306   1HE2  GLN  38          1HE2      GLN  38  -6.796 -10.381  -6.452
  307   2HE2  GLN  38          2HE2      GLN  38  -5.779 -10.276  -7.849
  308    H    ALA  39           HN       ALA  39  -6.436  -9.274  -1.761
  309    HA   ALA  39           HA       ALA  39  -9.154  -8.976  -1.117
  310   1HB   ALA  39          1HB       ALA  39  -8.342  -8.103   1.049
  311   2HB   ALA  39          2HB       ALA  39  -7.531  -9.595   0.563
  312   3HB   ALA  39          3HB       ALA  39  -6.706  -8.045   0.382
  313    H    LEU  40           HN       LEU  40  -6.634  -6.563  -1.743
  314    HA   LEU  40           HA       LEU  40  -8.091  -4.288  -1.004
  315   1HB   LEU  40          2HB       LEU  40  -5.575  -4.718  -1.789
  316   2HB   LEU  40          3HB       LEU  40  -6.227  -4.153  -3.307
  317    HG   LEU  40           HG       LEU  40  -6.154  -2.612  -0.713
  318   1HD1  LEU  40          1HD1      LEU  40  -4.282  -2.907  -2.827
  319   2HD1  LEU  40          2HD1      LEU  40  -4.899  -1.253  -2.850
  320   3HD1  LEU  40          3HD1      LEU  40  -4.172  -1.906  -1.380
  321   1HD2  LEU  40          1HD2      LEU  40  -7.767  -1.299  -1.468
  322   2HD2  LEU  40          2HD2      LEU  40  -6.806  -0.946  -2.904
  323   3HD2  LEU  40          3HD2      LEU  40  -7.931  -2.304  -2.908
  324    H    ALA  41           HN       ALA  41  -7.448  -5.596  -4.233
  325    HA   ALA  41           HA       ALA  41  -9.108  -3.867  -5.672
  326   1HB   ALA  41          1HB       ALA  41  -9.077  -6.174  -7.167
  327   2HB   ALA  41          2HB       ALA  41  -7.867  -4.892  -7.222
  328   3HB   ALA  41          3HB       ALA  41  -7.609  -6.307  -6.202
  329    H    ALA  42           HN       ALA  42  -9.723  -6.847  -3.988
  330    HA   ALA  42           HA       ALA  42 -12.308  -7.335  -5.095
  331   1HB   ALA  42          1HB       ALA  42 -12.583  -8.996  -3.417
  332   2HB   ALA  42          2HB       ALA  42 -10.896  -9.044  -3.930
  333   3HB   ALA  42          3HB       ALA  42 -11.334  -8.271  -2.405
  334    H    CYS  43           HN       CYS  43 -11.197  -5.737  -2.135
  335    HA   CYS  43           HA       CYS  43 -13.794  -5.172  -1.144
  336   1HB   CYS  43          2HB       CYS  43 -11.028  -4.402  -0.489
  337   2HB   CYS  43          3HB       CYS  43 -12.289  -3.322   0.075
  338    HG   CYS  43           HG       CYS  43 -11.258  -6.194   1.283
  339    H    GLY  44           HN       GLY  44 -11.338  -2.940  -2.479
  340   1HA   GLY  44          1HA       GLY  44 -13.477  -0.965  -2.877
  341   2HA   GLY  44          2HA       GLY  44 -11.764  -0.622  -2.722
  342    H    GLU  45           HN       GLU  45 -11.418   0.532  -4.433
  343    HA   GLU  45           HA       GLU  45 -12.004  -0.606  -7.080
  344   1HB   GLU  45          2HB       GLU  45 -11.947   1.686  -7.970
  345   2HB   GLU  45          3HB       GLU  45 -13.199   1.490  -6.753
  346   1HG   GLU  45          2HG       GLU  45 -12.010   2.737  -5.164
  347   2HG   GLU  45          3HG       GLU  45 -10.504   2.621  -6.075
  348    H    ARG  46           HN       ARG  46 -10.350   1.463  -8.303
  349    HA   ARG  46           HA       ARG  46  -7.935   0.083  -8.600
  350   1HB   ARG  46          2HB       ARG  46  -8.479   3.007  -9.152
  351   2HB   ARG  46          3HB       ARG  46  -7.161   2.057  -9.822
  352   1HG   ARG  46          2HG       ARG  46 -10.081   1.556 -10.314
  353   2HG   ARG  46          3HG       ARG  46  -8.993   2.419 -11.393
  354   1HD   ARG  46          2HD       ARG  46  -7.659   0.432 -11.711
  355   2HD   ARG  46          3HD       ARG  46  -8.635  -0.444 -10.530
  356    HE   ARG  46           HE       ARG  46 -10.061  -0.932 -12.230
  357   1HH1  ARG  46          2HH1      ARG  46  -8.467   2.093 -13.078
  358   2HH1  ARG  46          1HH1      ARG  46  -9.387   2.301 -14.533
  359   1HH2  ARG  46          2HH2      ARG  46 -11.242  -0.639 -14.143
  360   2HH2  ARG  46          1HH2      ARG  46 -10.961   0.765 -15.133
  361    H    PHE  47           HN       PHE  47  -5.844   0.634  -8.049
  362    HA   PHE  47           HA       PHE  47  -5.359   2.542  -5.916
  363   1HB   PHE  47          2HB       PHE  47  -4.564   0.903  -4.323
  364   2HB   PHE  47          3HB       PHE  47  -6.224   0.527  -4.755
  365    HD1  PHE  47           1HD      PHE  47  -6.802  -1.571  -5.576
  366    HD2  PHE  47           2HD      PHE  47  -2.690  -0.439  -5.411
  367    HE1  PHE  47           1HE      PHE  47  -6.136  -3.909  -5.985
  368    HE2  PHE  47           2HE      PHE  47  -2.031  -2.772  -5.852
  369    HZ   PHE  47           HZ       PHE  47  -3.756  -4.503  -6.147
  370    H    ALA  48           HN       ALA  48  -3.096   2.831  -5.515
  371    HA   ALA  48           HA       ALA  48  -1.417   1.918  -7.736
  372   1HB   ALA  48          1HB       ALA  48   0.000   3.758  -7.369
  373   2HB   ALA  48          2HB       ALA  48  -1.635   4.401  -7.218
  374   3HB   ALA  48          3HB       ALA  48  -0.683   4.067  -5.773
  375    H    TYR  49           HN       TYR  49   0.680   1.075  -7.313
  376    HA   TYR  49           HA       TYR  49   1.051   0.092  -4.559
  377   1HB   TYR  49          2HB       TYR  49   1.274  -2.132  -5.226
  378   2HB   TYR  49          3HB       TYR  49  -0.038  -1.584  -6.261
  379    HD1  TYR  49           1HD      TYR  49   3.566  -2.264  -6.120
  380    HD2  TYR  49           2HD      TYR  49   0.188  -1.684  -8.626
  381    HE1  TYR  49           1HE      TYR  49   4.904  -2.961  -8.042
  382    HE2  TYR  49           2HE      TYR  49   1.507  -2.413 -10.574
  383    HH   TYR  49           HH       TYR  49   4.329  -2.349 -11.011
  384    H    VAL  50           HN       VAL  50   3.279  -0.443  -4.097
  385    HA   VAL  50           HA       VAL  50   5.237   0.599  -6.038
  386    HB   VAL  50           HB       VAL  50   5.281   1.106  -3.048
  387   1HG1  VAL  50          1HG1      VAL  50   7.127   2.061  -5.234
  388   2HG1  VAL  50          2HG1      VAL  50   7.188   2.568  -3.545
  389   3HG1  VAL  50          3HG1      VAL  50   7.508   0.888  -3.972
  390   1HG2  VAL  50          1HG2      VAL  50   3.823   2.723  -3.550
  391   2HG2  VAL  50          2HG2      VAL  50   5.221   3.562  -4.224
  392   3HG2  VAL  50          3HG2      VAL  50   4.155   2.635  -5.280
  393    H    ASP  51           HN       ASP  51   7.012  -0.610  -6.281
  394    HA   ASP  51           HA       ASP  51   7.181  -3.147  -4.957
  395   1HB   ASP  51          2HB       ASP  51   7.920  -2.924  -7.295
  396   2HB   ASP  51          3HB       ASP  51   9.182  -1.806  -6.790
  397    H    ILE  52           HN       ILE  52   8.535  -3.762  -3.381
  398    HA   ILE  52           HA       ILE  52  10.643  -2.048  -2.483
  399    HB   ILE  52           HB       ILE  52   9.619  -2.395  -0.029
  400   1HG1  ILE  52          2HG1      ILE  52   7.226  -1.571  -0.199
  401   2HG1  ILE  52          3HG1      ILE  52   7.296  -2.010  -1.900
  402   1HG2  ILE  52          1HG2      ILE  52   9.990  -0.233  -0.040
  403   2HG2  ILE  52          2HG2      ILE  52  10.158  -0.301  -1.800
  404   3HG2  ILE  52          3HG2      ILE  52   8.587   0.046  -1.073
  405   1HD1  ILE  52          1HD1      ILE  52   6.536  -3.978  -1.262
  406   2HD1  ILE  52          2HD1      ILE  52   8.161  -4.281  -0.646
  407   3HD1  ILE  52          3HD1      ILE  52   6.909  -3.667   0.433
  408    H    LEU  53           HN       LEU  53   8.880  -5.097  -2.073
  409    HA   LEU  53           HA       LEU  53  10.953  -6.287  -0.518
  410   1HB   LEU  53          2HB       LEU  53   8.885  -7.685  -2.233
  411   2HB   LEU  53          3HB       LEU  53  10.020  -8.492  -1.173
  412    HG   LEU  53           HG       LEU  53   8.317  -8.466   0.269
  413   1HD1  LEU  53          1HD1      LEU  53   8.210  -6.448   1.688
  414   2HD1  LEU  53          2HD1      LEU  53   9.853  -7.008   1.361
  415   3HD1  LEU  53          3HD1      LEU  53   9.207  -5.612   0.494
  416   1HD2  LEU  53          1HD2      LEU  53   6.306  -7.629  -0.189
  417   2HD2  LEU  53          2HD2      LEU  53   6.926  -5.992  -0.398
  418   3HD2  LEU  53          3HD2      LEU  53   7.018  -7.145  -1.729
  419    H    GLN  54           HN       GLN  54  10.721  -5.384  -3.775
  420    HA   GLN  54           HA       GLN  54  12.904  -7.159  -4.557
  421   1HB   GLN  54          2HB       GLN  54  11.108  -7.077  -6.168
  422   2HB   GLN  54          3HB       GLN  54  11.117  -5.318  -6.162
  423   1HG   GLN  54          2HG       GLN  54  13.549  -6.810  -7.055
  424   2HG   GLN  54          3HG       GLN  54  12.176  -6.617  -8.141
  425   1HE2  GLN  54          1HE2      GLN  54  11.794  -3.967  -6.507
  426   2HE2  GLN  54          2HE2      GLN  54  12.868  -2.868  -7.310
  427    H    ASN  55           HN       ASN  55  12.155  -3.673  -4.227
  428    HA   ASN  55           HA       ASN  55  14.825  -2.844  -4.908
  429   1HB   ASN  55          2HB       ASN  55  12.622  -1.370  -3.444
  430   2HB   ASN  55          3HB       ASN  55  14.160  -0.649  -3.904
  431   1HD2  ASN  55          1HD2      ASN  55  11.067  -0.677  -4.720
  432   2HD2  ASN  55          2HD2      ASN  55  11.187  -0.478  -6.441
  433    HA   PRO  56           HA       PRO  56  16.533  -4.158  -0.998
  434   1HB   PRO  56          2HB       PRO  56  19.034  -3.137  -1.424
  435   2HB   PRO  56          3HB       PRO  56  18.474  -4.677  -2.082
  436   1HG   PRO  56          2HG       PRO  56  18.643  -2.000  -3.400
  437   2HG   PRO  56          3HG       PRO  56  19.054  -3.598  -4.051
  438   1HD   PRO  56          2HD       PRO  56  16.741  -2.349  -4.659
  439   2HD   PRO  56          3HD       PRO  56  16.853  -4.115  -4.513
  440    H    ASP  57           HN       ASP  57  17.201  -0.906  -2.252
  441    HA   ASP  57           HA       ASP  57  17.965   0.185   0.237
  442   1HB   ASP  57          2HB       ASP  57  16.993   1.546  -2.279
  443   2HB   ASP  57          3HB       ASP  57  17.702   2.389  -0.907
  444    H    ILE  58           HN       ILE  58  14.978   0.591  -1.617
  445    HA   ILE  58           HA       ILE  58  13.696   2.248   0.246
  446    HB   ILE  58           HB       ILE  58  12.288   0.423  -1.710
  447   1HG1  ILE  58          2HG1      ILE  58  13.531   3.138  -2.222
  448   2HG1  ILE  58          3HG1      ILE  58  14.114   1.607  -2.866
  449   1HG2  ILE  58          1HG2      ILE  58  11.525   3.222  -0.961
  450   2HG2  ILE  58          2HG2      ILE  58  10.520   1.933  -1.625
  451   3HG2  ILE  58          3HG2      ILE  58  11.060   1.855   0.052
  452   1HD1  ILE  58          1HD1      ILE  58  12.631   3.201  -4.308
  453   2HD1  ILE  58          2HD1      ILE  58  12.425   1.453  -4.396
  454   3HD1  ILE  58          3HD1      ILE  58  11.314   2.424  -3.433
  455    H    ARG  59           HN       ARG  59  13.779  -1.218  -0.163
  456    HA   ARG  59           HA       ARG  59  11.718  -2.021   1.510
  457   1HB   ARG  59          2HB       ARG  59  12.910  -3.510  -0.021
  458   2HB   ARG  59          3HB       ARG  59  14.366  -3.364   0.941
  459   1HG   ARG  59          2HG       ARG  59  11.848  -4.509   2.098
  460   2HG   ARG  59          3HG       ARG  59  12.958  -5.494   1.148
  461   1HD   ARG  59          2HD       ARG  59  13.665  -3.959   3.647
  462   2HD   ARG  59          3HD       ARG  59  13.365  -5.694   3.561
  463    HE   ARG  59           HE       ARG  59  15.788  -4.369   2.969
  464   1HH1  ARG  59          2HH1      ARG  59  13.811  -7.069   1.916
  465   2HH1  ARG  59          1HH1      ARG  59  15.140  -7.908   1.174
  466   1HH2  ARG  59          2HH2      ARG  59  17.533  -5.470   1.998
  467   2HH2  ARG  59          1HH2      ARG  59  17.258  -7.015   1.237
  468    H    ALA  60           HN       ALA  60  15.030  -1.120   2.318
  469    HA   ALA  60           HA       ALA  60  14.821  -2.139   4.967
  470   1HB   ALA  60          1HB       ALA  60  16.878  -0.959   3.282
  471   2HB   ALA  60          2HB       ALA  60  17.032  -0.518   4.983
  472   3HB   ALA  60          3HB       ALA  60  16.999  -2.217   4.512
  473    H    GLU  61           HN       GLU  61  15.032   1.188   3.732
  474    HA   GLU  61           HA       GLU  61  15.069   2.290   6.342
  475   1HB   GLU  61          2HB       GLU  61  14.573   3.673   3.701
  476   2HB   GLU  61          3HB       GLU  61  15.042   4.456   5.204
  477   1HG   GLU  61          2HG       GLU  61  16.718   2.433   3.737
  478   2HG   GLU  61          3HG       GLU  61  16.912   4.181   3.628
  479    H    LEU  62           HN       LEU  62  12.711   2.549   3.789
  480    HA   LEU  62           HA       LEU  62  10.991   4.252   5.040
  481   1HB   LEU  62          2HB       LEU  62  10.583   4.358   2.915
  482   2HB   LEU  62          3HB       LEU  62  11.147   2.721   2.640
  483    HG   LEU  62           HG       LEU  62   8.879   1.899   3.308
  484   1HD1  LEU  62          1HD1      LEU  62   7.527   3.345   4.334
  485   2HD1  LEU  62          2HD1      LEU  62   8.456   4.741   3.789
  486   3HD1  LEU  62          3HD1      LEU  62   7.249   4.014   2.725
  487   1HD2  LEU  62          1HD2      LEU  62   9.102   1.801   1.104
  488   2HD2  LEU  62          2HD2      LEU  62   7.938   3.128   1.135
  489   3HD2  LEU  62          3HD2      LEU  62   9.660   3.471   0.992
  490    HA   PRO  63           HA       PRO  63   8.046   0.540   6.173
  491   1HB   PRO  63          2HB       PRO  63   9.449  -1.561   7.243
  492   2HB   PRO  63          3HB       PRO  63   8.848  -1.514   5.581
  493   1HG   PRO  63          2HG       PRO  63  11.579  -0.849   6.619
  494   2HG   PRO  63          3HG       PRO  63  11.127  -1.831   5.209
  495   1HD   PRO  63          2HD       PRO  63  11.914   0.683   4.888
  496   2HD   PRO  63          3HD       PRO  63  10.551   0.043   3.940
  497    H    LYS  64           HN       LYS  64  11.184   0.871   7.697
  498    HA   LYS  64           HA       LYS  64  10.464   0.560  10.361
  499   1HB   LYS  64          2HB       LYS  64  12.646   2.278   9.181
  500   2HB   LYS  64          3HB       LYS  64  12.525   1.821  10.878
  501   1HG   LYS  64          2HG       LYS  64  12.729  -0.525  10.272
  502   2HG   LYS  64          3HG       LYS  64  12.831  -0.086   8.567
  503   1HD   LYS  64          2HD       LYS  64  14.771   0.713  10.733
  504   2HD   LYS  64          3HD       LYS  64  15.043  -0.523   9.505
  505   1HE   LYS  64          2HE       LYS  64  14.802   1.227   7.761
  506   2HE   LYS  64          3HE       LYS  64  14.655   2.433   9.040
  507   1HZ   LYS  64          1HZ       LYS  64  16.859   2.131   9.680
  508   2HZ   LYS  64          2HZ       LYS  64  16.930   2.100   7.984
  509   3HZ   LYS  64          3HZ       LYS  64  17.010   0.652   8.866
  510    H    TYR  65           HN       TYR  65  10.301   3.349   8.261
  511    HA   TYR  65           HA       TYR  65   9.657   5.200  10.303
  512   1HB   TYR  65          2HB       TYR  65   9.925   6.699   8.672
  513   2HB   TYR  65          3HB       TYR  65  10.305   5.365   7.607
  514    HD1  TYR  65           1HD      TYR  65   9.364   5.613   5.509
  515    HD2  TYR  65           2HD      TYR  65   7.117   6.899   8.911
  516    HE1  TYR  65           1HE      TYR  65   7.534   6.345   4.036
  517    HE2  TYR  65           2HE      TYR  65   5.285   7.601   7.434
  518    HH   TYR  65           HH       TYR  65   4.545   7.747   5.362
  519    H    ALA  66           HN       ALA  66   7.637   3.202   8.099
  520    HA   ALA  66           HA       ALA  66   5.245   4.485   8.974
  521   1HB   ALA  66          1HB       ALA  66   5.201   3.520   6.856
  522   2HB   ALA  66          2HB       ALA  66   5.817   1.975   7.447
  523   3HB   ALA  66          3HB       ALA  66   4.174   2.482   7.849
  524    H    ASN  67           HN       ASN  67   6.458   1.160   9.559
  525    HA   ASN  67           HA       ASN  67   6.069   1.240  12.302
  526   1HB   ASN  67          2HB       ASN  67   3.633   1.266  11.670
  527   2HB   ASN  67          3HB       ASN  67   3.856  -0.318  10.943
  528   1HD2  ASN  67          1HD2      ASN  67   2.708   1.188  13.548
  529   2HD2  ASN  67          2HD2      ASN  67   2.923  -0.049  14.750
  530    H    TRP  68           HN       TRP  68   5.527  -0.932   9.626
  531    HA   TRP  68           HA       TRP  68   6.499  -3.316  10.623
  532   1HB   TRP  68          2HB       TRP  68   6.096  -2.208   7.877
  533   2HB   TRP  68          3HB       TRP  68   6.912  -3.758   8.068
  534    HD1  TRP  68           1HD      TRP  68   5.324  -5.614   7.588
  535    HE1  TRP  68           1HE      TRP  68   2.852  -6.142   8.031
  536    HE3  TRP  68           3HE      TRP  68   3.976  -1.293   9.956
  537    HZ2  TRP  68           2HZ      TRP  68   0.629  -4.918   9.235
  538    HZ3  TRP  68           3HZ      TRP  68   1.650  -1.061  10.728
  539    HH2  TRP  68           2HH      TRP  68   0.013  -2.832  10.369
  540    HA   PRO  69           HA       PRO  69  10.967  -3.139  10.323
  541   1HB   PRO  69          2HB       PRO  69  10.924  -5.938   9.476
  542   2HB   PRO  69          3HB       PRO  69  11.559  -5.241  10.970
  543   1HG   PRO  69          2HG       PRO  69   9.342  -6.798  10.902
  544   2HG   PRO  69          3HG       PRO  69   9.573  -5.502  12.089
  545   1HD   PRO  69          2HD       PRO  69   7.934  -5.512   9.583
  546   2HD   PRO  69          3HD       PRO  69   7.560  -4.812  11.174
  547    H    THR  70           HN       THR  70   9.021  -4.800   7.908
  548    HA   THR  70           HA       THR  70  10.390  -3.408   5.754
  549    HB   THR  70           HB       THR  70  10.520  -5.486   4.379
  550    HG1  THR  70           1HG      THR  70  10.202  -6.877   6.848
  551   1HG2  THR  70          1HG2      THR  70  12.487  -6.488   5.695
  552   2HG2  THR  70          2HG2      THR  70  12.149  -5.237   6.894
  553   3HG2  THR  70          3HG2      THR  70  12.587  -4.783   5.245
  554    H    PHE  71           HN       PHE  71   8.706  -5.712   4.188
  555    HA   PHE  71           HA       PHE  71   6.078  -4.447   4.579
  556   1HB   PHE  71          2HB       PHE  71   7.374  -4.841   1.865
  557   2HB   PHE  71          3HB       PHE  71   5.786  -4.151   2.158
  558    HD1  PHE  71           1HD      PHE  71   9.394  -3.616   2.755
  559    HD2  PHE  71           2HD      PHE  71   5.542  -1.837   2.463
  560    HE1  PHE  71           1HE      PHE  71  10.414  -1.397   2.866
  561    HE2  PHE  71           2HE      PHE  71   6.564   0.401   2.585
  562    HZ   PHE  71           HZ       PHE  71   9.005   0.617   2.763
  563    HA   PRO  72           HA       PRO  72   4.733  -5.017   1.706
  564   1HB   PRO  72          2HB       PRO  72   2.169  -5.935   1.715
  565   2HB   PRO  72          3HB       PRO  72   3.416  -6.517   0.610
  566   1HG   PRO  72          2HG       PRO  72   2.398  -7.733   3.139
  567   2HG   PRO  72          3HG       PRO  72   2.825  -8.521   1.610
  568   1HD   PRO  72          2HD       PRO  72   4.458  -8.539   3.768
  569   2HD   PRO  72          3HD       PRO  72   5.071  -8.545   2.103
  570    H    GLN  73           HN       GLN  73   3.310  -3.283   1.979
  571    HA   GLN  73           HA       GLN  73   1.835  -3.060   4.499
  572   1HB   GLN  73          2HB       GLN  73   3.656  -0.856   3.537
  573   2HB   GLN  73          3HB       GLN  73   2.638  -0.838   4.959
  574   1HG   GLN  73          2HG       GLN  73   4.018  -2.533   6.004
  575   2HG   GLN  73          3HG       GLN  73   5.043  -2.592   4.563
  576   1HE2  GLN  73          1HE2      GLN  73   4.047   0.507   4.824
  577   2HE2  GLN  73          2HE2      GLN  73   5.370   1.172   5.710
  578    H    LEU  74           HN       LEU  74  -0.071  -2.084   4.194
  579    HA   LEU  74           HA       LEU  74  -0.705  -0.941   1.573
  580   1HB   LEU  74          2HB       LEU  74  -2.122  -2.743   2.537
  581   2HB   LEU  74          3HB       LEU  74  -2.515  -1.691   3.876
  582    HG   LEU  74           HG       LEU  74  -4.303  -1.920   2.139
  583   1HD1  LEU  74          1HD1      LEU  74  -5.052   0.014   2.901
  584   2HD1  LEU  74          2HD1      LEU  74  -3.427   0.410   3.459
  585   3HD1  LEU  74          3HD1      LEU  74  -3.946   0.892   1.843
  586   1HD2  LEU  74          1HD2      LEU  74  -4.030  -0.670   0.044
  587   2HD2  LEU  74          2HD2      LEU  74  -2.339  -0.380   0.455
  588   3HD2  LEU  74          3HD2      LEU  74  -2.909  -2.025   0.175
  589    H    TRP  75           HN       TRP  75  -1.256   1.187   1.306
  590    HA   TRP  75           HA       TRP  75  -1.341   2.879   3.718
  591   1HB   TRP  75          2HB       TRP  75  -0.077   3.549   1.062
  592   2HB   TRP  75          3HB       TRP  75  -0.317   4.691   2.372
  593    HD1  TRP  75           1HD      TRP  75   1.674   1.413   1.704
  594    HE1  TRP  75           1HE      TRP  75   3.798   1.512   3.169
  595    HE3  TRP  75           3HE      TRP  75   0.690   5.705   4.253
  596    HZ2  TRP  75           2HZ      TRP  75   4.879   3.184   5.168
  597    HZ3  TRP  75           3HZ      TRP  75   2.319   6.497   5.931
  598    HH2  TRP  75           2HH      TRP  75   4.364   5.254   6.373
  599    H    VAL  76           HN       VAL  76  -3.101   4.062   3.893
  600    HA   VAL  76           HA       VAL  76  -4.798   4.497   1.508
  601    HB   VAL  76           HB       VAL  76  -5.595   4.490   4.436
  602   1HG1  VAL  76          1HG1      VAL  76  -7.124   5.921   3.528
  603   2HG1  VAL  76          2HG1      VAL  76  -7.077   5.152   1.942
  604   3HG1  VAL  76          3HG1      VAL  76  -7.935   4.373   3.276
  605   1HG2  VAL  76          1HG2      VAL  76  -6.656   2.417   4.083
  606   2HG2  VAL  76          2HG2      VAL  76  -6.427   2.513   2.338
  607   3HG2  VAL  76          3HG2      VAL  76  -5.039   2.262   3.395
  608    H    ASP  77           HN       ASP  77  -4.749   6.577   0.784
  609    HA   ASP  77           HA       ASP  77  -4.435   8.849   0.711
  610   1HB   ASP  77          2HB       ASP  77  -6.417   8.796   2.121
  611   2HB   ASP  77          3HB       ASP  77  -5.398   8.544   3.533
  612    H    GLY  78           HN       GLY  78  -2.338   7.059   1.582
  613   1HA   GLY  78          1HA       GLY  78  -0.068   7.314   1.993
  614   2HA   GLY  78          2HA       GLY  78  -0.367   9.007   2.347
  615    H    GLU  79           HN       GLU  79  -2.100   6.444   3.949
  616    HA   GLU  79           HA       GLU  79  -0.469   6.836   6.350
  617   1HB   GLU  79          2HB       GLU  79  -3.473   6.575   6.277
  618   2HB   GLU  79          3HB       GLU  79  -2.493   6.627   7.738
  619   1HG   GLU  79          2HG       GLU  79  -1.711   8.880   7.072
  620   2HG   GLU  79          3HG       GLU  79  -2.826   8.820   5.707
  621    H    LEU  80           HN       LEU  80   0.200   5.019   7.337
  622    HA   LEU  80           HA       LEU  80  -0.033   2.604   5.918
  623   1HB   LEU  80          2HB       LEU  80   1.975   3.113   7.134
  624   2HB   LEU  80          3HB       LEU  80   1.088   3.180   8.656
  625    HG   LEU  80           HG       LEU  80   0.537   0.768   8.364
  626   1HD1  LEU  80          1HD1      LEU  80   2.280   1.126   5.971
  627   2HD1  LEU  80          2HD1      LEU  80   2.204  -0.426   6.805
  628   3HD1  LEU  80          3HD1      LEU  80   0.739   0.280   6.120
  629   1HD2  LEU  80          1HD2      LEU  80   3.335   0.433   8.401
  630   2HD2  LEU  80          2HD2      LEU  80   2.977   1.996   9.136
  631   3HD2  LEU  80          3HD2      LEU  80   2.224   0.532   9.767
  632    H    VAL  81           HN       VAL  81  -1.315   0.946   6.079
  633    HA   VAL  81           HA       VAL  81  -3.121   0.710   8.396
  634    HB   VAL  81           HB       VAL  81  -3.440  -0.351   5.578
  635   1HG1  VAL  81          1HG1      VAL  81  -4.794  -1.045   8.103
  636   2HG1  VAL  81          2HG1      VAL  81  -5.836  -0.778   6.706
  637   3HG1  VAL  81          3HG1      VAL  81  -4.564  -1.999   6.637
  638   1HG2  VAL  81          1HG2      VAL  81  -5.640   1.083   5.958
  639   2HG2  VAL  81          2HG2      VAL  81  -4.572   1.956   7.060
  640   3HG2  VAL  81          3HG2      VAL  81  -4.145   1.801   5.356
  641    H    GLY  82           HN       GLY  82  -1.405  -1.250   5.988
  642   1HA   GLY  82          1HA       GLY  82   0.298  -2.797   7.254
  643   2HA   GLY  82          2HA       GLY  82  -1.201  -3.486   7.874
  644    H    GLY  83           HN       GLY  83   1.064  -4.244   5.775
  645   1HA   GLY  83          1HA       GLY  83  -0.454  -4.391   3.357
  646   2HA   GLY  83          2HA       GLY  83   1.186  -4.954   3.586
  647    H    CYS  84           HN       CYS  84   1.194  -7.075   5.069
  648    HA   CYS  84           HA       CYS  84  -0.097  -8.920   3.353
  649   1HB   CYS  84          2HB       CYS  84   1.005 -10.636   4.869
  650   2HB   CYS  84          3HB       CYS  84   2.076  -9.496   4.065
  651    HG   CYS  84           HG       CYS  84   2.723 -10.157   6.865
  652    H    ASP  85           HN       ASP  85  -0.183  -8.919   6.889
  653    HA   ASP  85           HA       ASP  85  -2.479 -10.618   6.928
  654   1HB   ASP  85          2HB       ASP  85  -0.603 -10.712   8.563
  655   2HB   ASP  85          3HB       ASP  85  -1.103  -9.149   9.191
  656    H    ILE  86           HN       ILE  86  -1.883  -7.255   7.792
  657    HA   ILE  86           HA       ILE  86  -4.349  -6.672   8.891
  658    HB   ILE  86           HB       ILE  86  -2.554  -4.792   7.342
  659   1HG1  ILE  86          2HG1      ILE  86  -1.429  -5.913   9.237
  660   2HG1  ILE  86          3HG1      ILE  86  -1.639  -4.189   9.526
  661   1HG2  ILE  86          1HG2      ILE  86  -4.274  -3.821   9.538
  662   2HG2  ILE  86          2HG2      ILE  86  -3.829  -3.047   8.018
  663   3HG2  ILE  86          3HG2      ILE  86  -5.098  -4.272   8.046
  664   1HD1  ILE  86          1HD1      ILE  86  -3.828  -5.010  10.736
  665   2HD1  ILE  86          2HD1      ILE  86  -2.905  -6.509  10.868
  666   3HD1  ILE  86          3HD1      ILE  86  -2.261  -5.014  11.547
  667    H    VAL  87           HN       VAL  87  -3.342  -6.320   5.475
  668    HA   VAL  87           HA       VAL  87  -5.692  -5.166   4.539
  669    HB   VAL  87           HB       VAL  87  -3.755  -6.967   3.077
  670   1HG1  VAL  87          1HG1      VAL  87  -5.653  -5.185   1.632
  671   2HG1  VAL  87          2HG1      VAL  87  -4.865  -6.668   1.095
  672   3HG1  VAL  87          3HG1      VAL  87  -6.235  -6.749   2.201
  673   1HG2  VAL  87          1HG2      VAL  87  -3.746  -4.385   2.038
  674   2HG2  VAL  87          2HG2      VAL  87  -3.819  -4.175   3.787
  675   3HG2  VAL  87          3HG2      VAL  87  -2.518  -5.122   3.067
  676    H    ILE  88           HN       ILE  88  -4.837  -8.637   4.594
  677    HA   ILE  88           HA       ILE  88  -7.225  -9.531   3.471
  678    HB   ILE  88           HB       ILE  88  -5.403 -10.963   5.398
  679   1HG1  ILE  88          2HG1      ILE  88  -4.356 -10.261   3.275
  680   2HG1  ILE  88          3HG1      ILE  88  -4.502 -12.014   3.385
  681   1HG2  ILE  88          1HG2      ILE  88  -7.783 -11.850   5.234
  682   2HG2  ILE  88          2HG2      ILE  88  -7.407 -12.250   3.558
  683   3HG2  ILE  88          3HG2      ILE  88  -6.486 -12.992   4.869
  684   1HD1  ILE  88          1HD1      ILE  88  -6.252 -10.157   1.796
  685   2HD1  ILE  88          2HD1      ILE  88  -5.031 -11.271   1.169
  686   3HD1  ILE  88          3HD1      ILE  88  -6.497 -11.898   1.939
  687    H    GLU  89           HN       GLU  89  -6.362  -9.270   6.949
  688    HA   GLU  89           HA       GLU  89  -8.863 -10.193   7.867
  689   1HB   GLU  89          2HB       GLU  89  -6.937 -10.009   9.367
  690   2HB   GLU  89          3HB       GLU  89  -6.976  -8.255   9.220
  691   1HG   GLU  89          2HG       GLU  89  -9.224  -8.244  10.238
  692   2HG   GLU  89          3HG       GLU  89  -9.119  -9.992  10.428
  693    H    MET  90           HN       MET  90  -7.701  -6.860   7.412
  694    HA   MET  90           HA       MET  90 -10.102  -5.619   8.180
  695   1HB   MET  90          2HB       MET  90  -7.855  -4.547   8.062
  696   2HB   MET  90          3HB       MET  90  -8.010  -4.509   6.313
  697   1HG   MET  90          2HG       MET  90  -9.890  -3.049   6.444
  698   2HG   MET  90          3HG       MET  90  -9.951  -3.206   8.197
  699   1HE   MET  90          1HE       MET  90  -7.999  -2.877   9.590
  700   2HE   MET  90          2HE       MET  90  -6.422  -2.487   8.900
  701   3HE   MET  90          3HE       MET  90  -7.385  -1.227   9.674
  702    H    TYR  91           HN       TYR  91  -9.002  -6.879   5.158
  703    HA   TYR  91           HA       TYR  91 -10.980  -5.905   3.379
  704   1HB   TYR  91          2HB       TYR  91  -9.202  -6.989   2.353
  705   2HB   TYR  91          3HB       TYR  91  -9.148  -8.268   3.553
  706    HD1  TYR  91           1HD      TYR  91  -9.782 -10.345   2.917
  707    HD2  TYR  91           2HD      TYR  91 -11.409  -7.021   0.842
  708    HE1  TYR  91           1HE      TYR  91 -10.857 -11.873   1.351
  709    HE2  TYR  91           2HE      TYR  91 -12.511  -8.509  -0.726
  710    HH   TYR  91           HH       TYR  91 -13.361 -11.011  -0.618
  711    H    GLN  92           HN       GLN  92 -10.810  -8.884   5.305
  712    HA   GLN  92           HA       GLN  92 -13.385  -9.806   4.640
  713   1HB   GLN  92          2HB       GLN  92 -11.759 -10.376   7.128
  714   2HB   GLN  92          3HB       GLN  92 -13.133 -11.321   6.560
  715   1HG   GLN  92          2HG       GLN  92 -11.902 -11.886   4.524
  716   2HG   GLN  92          3HG       GLN  92 -10.526 -10.939   5.092
  717   1HE2  GLN  92          1HE2      GLN  92 -11.538 -13.956   4.692
  718   2HE2  GLN  92          2HE2      GLN  92 -10.709 -14.752   5.992
  719    H    ARG  93           HN       ARG  93 -12.170  -7.738   7.187
  720    HA   ARG  93           HA       ARG  93 -14.487  -7.404   8.754
  721   1HB   ARG  93          2HB       ARG  93 -12.277  -5.423   8.146
  722   2HB   ARG  93          3HB       ARG  93 -13.445  -5.277   9.445
  723   1HG   ARG  93          2HG       ARG  93 -11.437  -7.499   9.196
  724   2HG   ARG  93          3HG       ARG  93 -11.225  -6.050  10.180
  725   1HD   ARG  93          2HD       ARG  93 -13.434  -8.071  10.501
  726   2HD   ARG  93          3HD       ARG  93 -11.984  -7.980  11.497
  727    HE   ARG  93           HE       ARG  93 -13.232  -5.475  11.566
  728   1HH1  ARG  93          2HH1      ARG  93 -13.924  -8.765  12.545
  729   2HH1  ARG  93          1HH1      ARG  93 -14.808  -8.292  13.965
  730   1HH2  ARG  93          2HH2      ARG  93 -14.429  -4.845  13.408
  731   2HH2  ARG  93          1HH2      ARG  93 -15.126  -6.058  14.440
  732    H    GLY  94           HN       GLY  94 -13.436  -5.993   5.737
  733   1HA   GLY  94          1HA       GLY  94 -14.605  -4.742   4.157
  734   2HA   GLY  94          2HA       GLY  94 -16.007  -4.748   5.220
  735    H    GLU  95           HN       GLU  95 -13.072  -3.935   6.663
  736    HA   GLU  95           HA       GLU  95 -13.857  -1.131   6.976
  737   1HB   GLU  95          2HB       GLU  95 -11.647  -2.745   8.277
  738   2HB   GLU  95          3HB       GLU  95 -12.123  -1.106   8.713
  739   1HG   GLU  95          2HG       GLU  95 -14.268  -1.855   9.456
  740   2HG   GLU  95          3HG       GLU  95 -13.971  -3.476   8.840
  741    H    LEU  96           HN       LEU  96 -11.523  -3.124   5.355
  742    HA   LEU  96           HA       LEU  96  -9.505  -1.239   4.827
  743   1HB   LEU  96          2HB       LEU  96  -9.291  -3.656   4.419
  744   2HB   LEU  96          3HB       LEU  96 -10.485  -3.548   3.142
  745    HG   LEU  96           HG       LEU  96  -8.940  -2.090   1.866
  746   1HD1  LEU  96          1HD1      LEU  96  -6.701  -1.746   2.520
  747   2HD1  LEU  96          2HD1      LEU  96  -7.690  -1.320   3.918
  748   3HD1  LEU  96          3HD1      LEU  96  -6.846  -2.869   3.874
  749   1HD2  LEU  96          1HD2      LEU  96  -8.366  -3.983   0.872
  750   2HD2  LEU  96          2HD2      LEU  96  -7.153  -4.284   2.117
  751   3HD2  LEU  96          3HD2      LEU  96  -8.800  -4.880   2.331
  752    H    GLN  97           HN       GLN  97 -12.229  -2.272   2.923
  753    HA   GLN  97           HA       GLN  97 -12.132  -0.257   0.924
  754   1HB   GLN  97          2HB       GLN  97 -14.532  -0.988   0.548
  755   2HB   GLN  97          3HB       GLN  97 -13.292  -2.206   0.354
  756   1HG   GLN  97          2HG       GLN  97 -13.785  -3.011   2.643
  757   2HG   GLN  97          3HG       GLN  97 -15.103  -1.842   2.723
  758   1HE2  GLN  97          1HE2      GLN  97 -14.289  -4.965   2.003
  759   2HE2  GLN  97          2HE2      GLN  97 -15.658  -5.392   1.041
  760    H    GLN  98           HN       GLN  98 -13.433  -0.338   4.139
  761    HA   GLN  98           HA       GLN  98 -15.229   1.810   3.908
  762   1HB   GLN  98          2HB       GLN  98 -15.571   0.493   5.755
  763   2HB   GLN  98          3HB       GLN  98 -13.862   0.279   6.059
  764   1HG   GLN  98          2HG       GLN  98 -14.849   1.549   7.805
  765   2HG   GLN  98          3HG       GLN  98 -13.725   2.508   6.867
  766   1HE2  GLN  98          1HE2      GLN  98 -16.537   2.123   5.126
  767   2HE2  GLN  98          2HE2      GLN  98 -17.328   3.604   5.543
  768    H    LEU  99           HN       LEU  99 -11.852   1.487   4.777
  769    HA   LEU  99           HA       LEU  99 -11.360   4.291   5.147
  770   1HB   LEU  99          2HB       LEU  99  -9.333   2.189   4.374
  771   2HB   LEU  99          3HB       LEU  99  -9.044   3.688   5.233
  772    HG   LEU  99           HG       LEU  99 -10.481   1.258   6.305
  773   1HD1  LEU  99          1HD1      LEU  99  -8.172   2.171   7.775
  774   2HD1  LEU  99          2HD1      LEU  99  -8.517   0.583   7.087
  775   3HD1  LEU  99          3HD1      LEU  99  -7.755   1.827   6.095
  776   1HD2  LEU  99          1HD2      LEU  99 -11.534   3.031   7.382
  777   2HD2  LEU  99          2HD2      LEU  99 -10.221   2.621   8.485
  778   3HD2  LEU  99          3HD2      LEU  99 -10.072   4.017   7.417
  779    H    ILE 100           HN       ILE 100 -10.811   1.970   2.520
  780    HA   ILE 100           HA       ILE 100  -9.523   3.729   0.767
  781    HB   ILE 100           HB       ILE 100 -11.251   1.358   0.018
  782   1HG1  ILE 100          2HG1      ILE 100  -9.426   0.720   1.537
  783   2HG1  ILE 100          3HG1      ILE 100  -9.143   0.098  -0.085
  784   1HG2  ILE 100          1HG2      ILE 100 -10.757   1.739  -2.117
  785   2HG2  ILE 100          2HG2      ILE 100 -10.127   3.311  -1.622
  786   3HG2  ILE 100          3HG2      ILE 100  -9.042   1.925  -1.747
  787   1HD1  ILE 100          1HD1      ILE 100  -7.087   0.916   0.182
  788   2HD1  ILE 100          2HD1      ILE 100  -7.825   2.483  -0.156
  789   3HD1  ILE 100          3HD1      ILE 100  -7.578   1.968   1.512
  790    H    LYS 101           HN       LYS 101 -12.964   2.913   1.081
  791    HA   LYS 101           HA       LYS 101 -13.935   4.307  -1.088
  792   1HB   LYS 101          2HB       LYS 101 -15.342   2.793   0.109
  793   2HB   LYS 101          3HB       LYS 101 -15.199   3.736   1.586
  794   1HG   LYS 101          2HG       LYS 101 -16.492   5.497   0.676
  795   2HG   LYS 101          3HG       LYS 101 -16.471   4.770  -0.927
  796   1HD   LYS 101          2HD       LYS 101 -18.613   4.408   0.222
  797   2HD   LYS 101          3HD       LYS 101 -17.779   2.891  -0.119
  798   1HE   LYS 101          2HE       LYS 101 -16.975   2.823   2.193
  799   2HE   LYS 101          3HE       LYS 101 -17.818   4.336   2.530
  800   1HZ   LYS 101          1HZ       LYS 101 -18.986   2.205   3.184
  801   2HZ   LYS 101          2HZ       LYS 101 -19.239   1.940   1.528
  802   3HZ   LYS 101          3HZ       LYS 101 -19.891   3.317   2.275
  803    H    GLU 102           HN       GLU 102 -13.529   5.493   2.232
  804    HA   GLU 102           HA       GLU 102 -14.553   8.057   1.739
  805   1HB   GLU 102          2HB       GLU 102 -14.199   7.177   3.990
  806   2HB   GLU 102          3HB       GLU 102 -12.458   7.162   3.731
  807   1HG   GLU 102          2HG       GLU 102 -12.463   9.594   3.541
  808   2HG   GLU 102          3HG       GLU 102 -14.211   9.613   3.770
  809    H    THR 103           HN       THR 103 -11.282   6.772   1.526
  810    HA   THR 103           HA       THR 103 -10.077   9.257   0.859
  811    HB   THR 103           HB       THR 103  -9.007   6.463   0.538
  812    HG1  THR 103           1HG      THR 103  -9.442   6.713   2.681
  813   1HG2  THR 103          1HG2      THR 103  -6.816   7.575   0.729
  814   2HG2  THR 103          2HG2      THR 103  -7.634   9.137   0.690
  815   3HG2  THR 103          3HG2      THR 103  -7.708   8.067  -0.710
  816    H    ALA 104           HN       ALA 104 -10.720   6.338  -1.103
  817    HA   ALA 104           HA       ALA 104  -9.645   7.344  -3.480
  818   1HB   ALA 104          1HB       ALA 104 -11.518   5.142  -2.787
  819   2HB   ALA 104          2HB       ALA 104 -11.394   5.627  -4.478
  820   3HB   ALA 104          3HB       ALA 104  -9.958   5.091  -3.606
  821    H    ALA 105           HN       ALA 105 -13.003   7.401  -2.284
  822    HA   ALA 105           HA       ALA 105 -14.164   8.545  -4.552
  823   1HB   ALA 105          1HB       ALA 105 -15.678   7.680  -3.027
  824   2HB   ALA 105          2HB       ALA 105 -14.947   8.532  -1.665
  825   3HB   ALA 105          3HB       ALA 105 -15.890   9.423  -2.861
  826    H    LYS 106           HN       LYS 106 -12.581  10.107  -1.786
  827    HA   LYS 106           HA       LYS 106 -13.304  12.703  -2.721
  828   1HB   LYS 106          2HB       LYS 106 -11.926  13.610  -0.938
  829   2HB   LYS 106          3HB       LYS 106 -12.997  12.360  -0.342
  830   1HG   LYS 106          2HG       LYS 106 -11.021  11.962   0.779
  831   2HG   LYS 106          3HG       LYS 106 -10.975  10.809  -0.552
  832   1HD   LYS 106          2HD       LYS 106  -8.808  11.935  -0.178
  833   2HD   LYS 106          3HD       LYS 106  -9.455  12.234  -1.790
  834   1HE   LYS 106          2HE       LYS 106 -10.314  14.405  -1.019
  835   2HE   LYS 106          3HE       LYS 106  -9.644  14.092   0.581
  836   1HZ   LYS 106          1HZ       LYS 106  -8.249  15.542  -0.825
  837   2HZ   LYS 106          2HZ       LYS 106  -8.025  14.255  -1.904
  838   3HZ   LYS 106          3HZ       LYS 106  -7.446  14.141  -0.314
  839    H    TYR 107           HN       TYR 107 -10.671  10.542  -3.355
  840    HA   TYR 107           HA       TYR 107  -9.053  12.636  -4.530
  841   1HB   TYR 107          2HB       TYR 107  -8.699   9.673  -4.306
  842   2HB   TYR 107          3HB       TYR 107  -7.728  10.594  -5.446
  843    HD1  TYR 107           1HD      TYR 107  -6.245  12.390  -4.602
  844    HD2  TYR 107           2HD      TYR 107  -8.159   9.644  -1.955
  845    HE1  TYR 107           1HE      TYR 107  -4.610  12.925  -2.858
  846    HE2  TYR 107           2HE      TYR 107  -6.562  10.187  -0.226
  847    HH   TYR 107           HH       TYR 107  -4.852  11.525   0.392
  848    H    LYS 108           HN       LYS 108 -11.032   9.947  -5.726
  849    HA   LYS 108           HA       LYS 108 -10.637  10.690  -8.484
  850   1HB   LYS 108          2HB       LYS 108 -12.444   8.718  -7.111
  851   2HB   LYS 108          3HB       LYS 108 -12.565   9.031  -8.828
  852   1HG   LYS 108          2HG       LYS 108 -11.274   7.089  -8.517
  853   2HG   LYS 108          3HG       LYS 108 -10.194   8.377  -9.047
  854   1HD   LYS 108          2HD       LYS 108  -9.653   8.763  -6.630
  855   2HD   LYS 108          3HD       LYS 108 -10.537   7.274  -6.277
  856   1HE   LYS 108          2HE       LYS 108  -8.253   7.543  -8.167
  857   2HE   LYS 108          3HE       LYS 108  -8.123   6.941  -6.512
  858   1HZ   LYS 108          1HZ       LYS 108  -8.710   5.487  -8.816
  859   2HZ   LYS 108          2HZ       LYS 108 -10.138   5.509  -7.891
  860   3HZ   LYS 108          3HZ       LYS 108  -8.701   4.924  -7.217
  861    H    SER 109           HN       SER 109 -13.353  10.356  -9.281
  862    HA   SER 109           HA       SER 109 -14.578  12.901  -8.563
  863   1HB   SER 109          2HB       SER 109 -16.289  12.226 -10.248
  864   2HB   SER 109          3HB       SER 109 -14.662  12.305 -10.920
  865    HG   SER 109           HG       SER 109 -16.334  10.253 -10.931
  866    H    GLU 110           HN       GLU 110 -17.248  11.610  -8.890
  867    HA   GLU 110           HA       GLU 110 -17.570  10.654  -6.172
  868   1HB   GLU 110          2HB       GLU 110 -19.571  10.885  -8.422
  869   2HB   GLU 110          3HB       GLU 110 -19.960  10.371  -6.786
  870   1HG   GLU 110          2HG       GLU 110 -19.162  12.550  -5.949
  871   2HG   GLU 110          3HG       GLU 110 -18.888  13.057  -7.616
  872    H    GLU 111           HN       GLU 111 -15.792   9.058  -7.406
  873    HA   GLU 111           HA       GLU 111 -16.882   6.754  -8.647
  874   1HB   GLU 111          2HB       GLU 111 -14.231   7.324  -7.311
  875   2HB   GLU 111          3HB       GLU 111 -14.611   5.760  -8.049
  876   1HG   GLU 111          2HG       GLU 111 -14.650   8.409  -9.486
  877   2HG   GLU 111          3HG       GLU 111 -13.333   7.240  -9.540
  878    HA   PRO 112           HA       PRO 112 -18.338   4.784  -4.959
  879   1HB   PRO 112          2HB       PRO 112 -19.399   2.604  -6.104
  880   2HB   PRO 112          3HB       PRO 112 -20.135   4.201  -6.283
  881   1HG   PRO 112          2HG       PRO 112 -18.456   2.658  -8.206
  882   2HG   PRO 112          3HG       PRO 112 -19.861   3.692  -8.520
  883   1HD   PRO 112          2HD       PRO 112 -17.210   4.449  -8.846
  884   2HD   PRO 112          3HD       PRO 112 -18.578   5.563  -8.666
  885    H    ASP 113           HN       ASP 113 -16.790   4.017  -3.671
  886    HA   ASP 113           HA       ASP 113 -15.115   1.756  -4.484
  887   1HB   ASP 113          2HB       ASP 113 -14.117   3.677  -3.232
  888   2HB   ASP 113          3HB       ASP 113 -15.141   3.276  -1.861
  889    H    ALA 114           HN       ALA 114 -15.682   1.599  -1.201
  890    HA   ALA 114           HA       ALA 114 -17.122  -0.844  -1.334
  891   1HB   ALA 114          1HB       ALA 114 -16.537  -1.036   0.820
  892   2HB   ALA 114          2HB       ALA 114 -15.568   0.411   0.532
  893   3HB   ALA 114          3HB       ALA 114 -17.186   0.558   1.224
  894    H    GLU 115           HN       GLU 115 -18.678   1.192  -2.618
  895    HA   GLU 115           HA       GLU 115 -21.159   0.723  -1.322
  896   1HB   GLU 115          2HB       GLU 115 -20.289   2.617   0.045
  897   2HB   GLU 115          3HB       GLU 115 -20.235   3.600  -1.416
  898   1HG   GLU 115          2HG       GLU 115 -22.223   4.097  -0.124
  899   2HG   GLU 115          3HG       GLU 115 -22.650   3.373  -1.674
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  22.491   3.759  -2.272
    2   2H    MET   1          2H        MET   1  20.897   3.280  -2.590
    3   3H    MET   1          3H        MET   1  21.215   4.421  -1.378
    4    HA   MET   1           HA       MET   1  22.239   5.831  -3.220
    5   1HB   MET   1          2HB       MET   1  20.503   3.906  -4.783
    6   2HB   MET   1          3HB       MET   1  21.212   5.375  -5.434
    7   1HG   MET   1          2HG       MET   1  23.451   4.467  -5.007
    8   2HG   MET   1          3HG       MET   1  22.718   2.982  -4.403
    9   1HE   MET   1          1HE       MET   1  20.342   2.447  -7.360
   10   2HE   MET   1          2HE       MET   1  21.376   1.084  -6.935
   11   3HE   MET   1          3HE       MET   1  20.709   2.111  -5.667
   12    H    SER   2           HN       SER   2  19.938   6.414  -5.011
   13    HA   SER   2           HA       SER   2  18.166   7.810  -5.000
   14   1HB   SER   2          2HB       SER   2  16.170   6.969  -3.784
   15   2HB   SER   2          3HB       SER   2  16.991   5.713  -4.706
   16    HG   SER   2           HG       SER   2  18.059   5.712  -2.291
   17    H    THR   3           HN       THR   3  16.874   7.499  -1.963
   18    HA   THR   3           HA       THR   3  18.487   9.471  -0.619
   19    HB   THR   3           HB       THR   3  15.572  10.146  -1.175
   20    HG1  THR   3           1HG      THR   3  17.777  10.518  -2.713
   21   1HG2  THR   3          1HG2      THR   3  17.516  12.209  -0.327
   22   2HG2  THR   3          2HG2      THR   3  17.095  11.008   0.892
   23   3HG2  THR   3          3HG2      THR   3  15.832  11.982   0.143
   24    H    THR   4           HN       THR   4  15.601   9.785   0.870
   25    HA   THR   4           HA       THR   4  15.499   7.119   2.031
   26    HB   THR   4           HB       THR   4  15.580   8.020   4.354
   27    HG1  THR   4           1HG      THR   4  16.436  10.130   4.646
   28   1HG2  THR   4          1HG2      THR   4  18.204   8.888   3.747
   29   2HG2  THR   4          2HG2      THR   4  17.795   7.614   2.599
   30   3HG2  THR   4          3HG2      THR   4  17.685   7.307   4.332
   31    H    ILE   5           HN       ILE   5  14.091   8.262   4.344
   32    HA   ILE   5           HA       ILE   5  11.468   7.939   3.548
   33    HB   ILE   5           HB       ILE   5  12.656   9.235   5.993
   34   1HG1  ILE   5          2HG1      ILE   5  11.240   6.609   5.684
   35   2HG1  ILE   5          3HG1      ILE   5  12.990   6.762   5.473
   36   1HG2  ILE   5          1HG2      ILE   5  10.524  10.156   5.985
   37   2HG2  ILE   5          2HG2      ILE   5   9.797   8.712   5.277
   38   3HG2  ILE   5          3HG2      ILE   5  10.336   8.697   6.958
   39   1HD1  ILE   5          1HD1      ILE   5  13.067   7.682   7.811
   40   2HD1  ILE   5          2HD1      ILE   5  11.369   7.225   7.962
   41   3HD1  ILE   5          3HD1      ILE   5  12.594   5.988   7.676
   42    H    GLU   6           HN       GLU   6  13.311  10.925   3.905
   43    HA   GLU   6           HA       GLU   6  11.317  12.757   4.092
   44   1HB   GLU   6          2HB       GLU   6  13.778  13.144   2.381
   45   2HB   GLU   6          3HB       GLU   6  12.827  14.404   3.151
   46   1HG   GLU   6          2HG       GLU   6  14.451  12.307   4.566
   47   2HG   GLU   6          3HG       GLU   6  14.915  13.987   4.326
   48    H    LYS   7           HN       LYS   7  12.721  11.658   1.007
   49    HA   LYS   7           HA       LYS   7  10.826  13.022  -0.612
   50   1HB   LYS   7          2HB       LYS   7  12.556  10.626  -1.262
   51   2HB   LYS   7          3HB       LYS   7  11.676  11.591  -2.439
   52   1HG   LYS   7          2HG       LYS   7  13.908  12.572  -0.670
   53   2HG   LYS   7          3HG       LYS   7  14.030  12.194  -2.389
   54   1HD   LYS   7          2HD       LYS   7  12.279  14.334  -1.176
   55   2HD   LYS   7          3HD       LYS   7  13.812  14.605  -2.004
   56   1HE   LYS   7          2HE       LYS   7  12.868  13.673  -4.060
   57   2HE   LYS   7          3HE       LYS   7  11.337  13.393  -3.233
   58   1HZ   LYS   7          1HZ       LYS   7  11.279  15.838  -2.805
   59   2HZ   LYS   7          2HZ       LYS   7  11.134  15.403  -4.439
   60   3HZ   LYS   7          3HZ       LYS   7  12.607  16.001  -3.849
   61    H    ILE   8           HN       ILE   8  11.049   9.784   0.696
   62    HA   ILE   8           HA       ILE   8   8.990   8.576  -0.710
   63    HB   ILE   8           HB       ILE   8  10.080   7.995   2.030
   64   1HG1  ILE   8          2HG1      ILE   8  10.511   6.680  -0.663
   65   2HG1  ILE   8          3HG1      ILE   8  11.623   7.812   0.096
   66   1HG2  ILE   8          1HG2      ILE   8   9.033   5.659   1.342
   67   2HG2  ILE   8          2HG2      ILE   8   8.121   6.871   2.240
   68   3HG2  ILE   8          3HG2      ILE   8   7.894   6.710   0.498
   69   1HD1  ILE   8          1HD1      ILE   8  11.592   5.040   0.333
   70   2HD1  ILE   8          2HD1      ILE   8  12.572   6.186   1.248
   71   3HD1  ILE   8          3HD1      ILE   8  11.017   5.652   1.885
   72    H    GLN   9           HN       GLN   9   8.788  10.261   2.467
   73    HA   GLN   9           HA       GLN   9   6.047   9.697   2.776
   74   1HB   GLN   9          2HB       GLN   9   7.688  11.939   3.935
   75   2HB   GLN   9          3HB       GLN   9   5.991  11.695   4.326
   76   1HG   GLN   9          2HG       GLN   9   6.601   9.391   5.096
   77   2HG   GLN   9          3HG       GLN   9   8.290   9.853   4.899
   78   1HE2  GLN   9          1HE2      GLN   9   9.173  10.299   6.772
   79   2HE2  GLN   9          2HE2      GLN   9   8.433  11.167   8.074
   80    H    ARG  10           HN       ARG  10   7.675  12.244   1.035
   81    HA   ARG  10           HA       ARG  10   5.392  13.814   0.510
   82   1HB   ARG  10          2HB       ARG  10   8.034  13.505  -0.833
   83   2HB   ARG  10          3HB       ARG  10   6.744  14.324  -1.690
   84   1HG   ARG  10          2HG       ARG  10   8.094  15.959  -0.639
   85   2HG   ARG  10          3HG       ARG  10   6.565  15.914   0.210
   86   1HD   ARG  10          2HD       ARG  10   9.055  14.519   1.134
   87   2HD   ARG  10          3HD       ARG  10   8.618  16.151   1.622
   88    HE   ARG  10           HE       ARG  10   7.675  13.761   2.710
   89   1HH1  ARG  10          2HH1      ARG  10   6.507  16.928   1.801
   90   2HH1  ARG  10          1HH1      ARG  10   5.228  16.935   2.971
   91   1HH2  ARG  10          2HH2      ARG  10   5.984  13.758   4.250
   92   2HH2  ARG  10          1HH2      ARG  10   4.930  15.131   4.373
   93    H    GLN  11           HN       GLN  11   6.722  10.929  -1.061
   94    HA   GLN  11           HA       GLN  11   4.840  11.138  -3.228
   95   1HB   GLN  11          2HB       GLN  11   5.728   9.023  -4.059
   96   2HB   GLN  11          3HB       GLN  11   7.009  10.165  -3.698
   97   1HG   GLN  11          2HG       GLN  11   7.530   8.983  -1.658
   98   2HG   GLN  11          3HG       GLN  11   6.185   7.878  -1.930
   99   1HE2  GLN  11          1HE2      GLN  11   6.854   5.972  -2.588
  100   2HE2  GLN  11          2HE2      GLN  11   8.169   5.676  -3.675
  101    H    ILE  12           HN       ILE  12   5.033   9.156  -0.295
  102    HA   ILE  12           HA       ILE  12   2.916   7.427  -0.966
  103    HB   ILE  12           HB       ILE  12   3.683   8.367   1.804
  104   1HG1  ILE  12          2HG1      ILE  12   4.651   6.042   0.134
  105   2HG1  ILE  12          3HG1      ILE  12   5.604   7.382   0.772
  106   1HG2  ILE  12          1HG2      ILE  12   2.196   6.946   2.667
  107   2HG2  ILE  12          2HG2      ILE  12   1.449   6.974   1.070
  108   3HG2  ILE  12          3HG2      ILE  12   2.580   5.686   1.493
  109   1HD1  ILE  12          1HD1      ILE  12   4.199   5.860   2.822
  110   2HD1  ILE  12          2HD1      ILE  12   5.385   4.923   1.911
  111   3HD1  ILE  12          3HD1      ILE  12   5.879   6.398   2.744
  112    H    ALA  13           HN       ALA  13   2.959  10.483   0.744
  113    HA   ALA  13           HA       ALA  13   0.250  10.611   1.407
  114   1HB   ALA  13          1HB       ALA  13   1.860  13.062   0.805
  115   2HB   ALA  13          2HB       ALA  13   0.632  12.812   2.047
  116   3HB   ALA  13          3HB       ALA  13   2.219  12.059   2.210
  117    H    GLU  14           HN       GLU  14   1.943  11.694  -1.526
  118    HA   GLU  14           HA       GLU  14  -0.298  13.079  -2.547
  119   1HB   GLU  14          2HB       GLU  14   0.889  13.236  -4.666
  120   2HB   GLU  14          3HB       GLU  14   1.915  13.673  -3.307
  121   1HG   GLU  14          2HG       GLU  14   2.989  11.520  -3.400
  122   2HG   GLU  14          3HG       GLU  14   1.936  11.024  -4.723
  123    H    ASN  15           HN       ASN  15   0.677   9.725  -2.784
  124    HA   ASN  15           HA       ASN  15  -1.141   9.155  -4.949
  125   1HB   ASN  15          2HB       ASN  15   0.357   7.336  -3.060
  126   2HB   ASN  15          3HB       ASN  15  -0.681   6.751  -4.356
  127   1HD2  ASN  15          1HD2      ASN  15   2.412   7.279  -3.557
  128   2HD2  ASN  15          2HD2      ASN  15   3.097   7.548  -5.120
  129    HA   PRO  16           HA       PRO  16  -4.853   9.244  -2.565
  130   1HB   PRO  16          2HB       PRO  16  -5.749   7.414  -4.737
  131   2HB   PRO  16          3HB       PRO  16  -6.494   8.914  -4.170
  132   1HG   PRO  16          2HG       PRO  16  -5.179   8.866  -6.474
  133   2HG   PRO  16          3HG       PRO  16  -4.992  10.245  -5.373
  134   1HD   PRO  16          2HD       PRO  16  -3.141   7.951  -5.874
  135   2HD   PRO  16          3HD       PRO  16  -2.767   9.668  -5.614
  136    H    ILE  17           HN       ILE  17  -3.861   6.228  -4.058
  137    HA   ILE  17           HA       ILE  17  -4.477   4.777  -1.578
  138    HB   ILE  17           HB       ILE  17  -5.203   3.714  -4.326
  139   1HG1  ILE  17          2HG1      ILE  17  -6.674   5.640  -3.869
  140   2HG1  ILE  17          3HG1      ILE  17  -7.571   4.123  -3.844
  141   1HG2  ILE  17          1HG2      ILE  17  -4.827   1.970  -2.768
  142   2HG2  ILE  17          2HG2      ILE  17  -5.797   2.778  -1.533
  143   3HG2  ILE  17          3HG2      ILE  17  -6.576   2.115  -2.974
  144   1HD1  ILE  17          1HD1      ILE  17  -6.753   4.641  -1.194
  145   2HD1  ILE  17          2HD1      ILE  17  -7.368   6.168  -1.845
  146   3HD1  ILE  17          3HD1      ILE  17  -8.382   4.716  -1.865
  147    H    LEU  18           HN       LEU  18  -2.607   3.738  -1.063
  148    HA   LEU  18           HA       LEU  18  -0.808   3.066  -3.294
  149   1HB   LEU  18          2HB       LEU  18  -0.305   5.221  -2.087
  150   2HB   LEU  18          3HB       LEU  18   0.062   4.253  -0.674
  151    HG   LEU  18           HG       LEU  18   1.874   3.142  -1.893
  152   1HD1  LEU  18          1HD1      LEU  18   2.443   3.616  -4.097
  153   2HD1  LEU  18          2HD1      LEU  18   0.680   3.529  -4.150
  154   3HD1  LEU  18          3HD1      LEU  18   1.488   5.099  -4.129
  155   1HD2  LEU  18          1HD2      LEU  18   3.357   5.106  -2.075
  156   2HD2  LEU  18          2HD2      LEU  18   1.944   6.163  -1.998
  157   3HD2  LEU  18          3HD2      LEU  18   2.367   5.154  -0.612
  158    H    LEU  19           HN       LEU  19   0.446   1.313  -3.097
  159    HA   LEU  19           HA       LEU  19   0.174  -0.344  -0.692
  160   1HB   LEU  19          2HB       LEU  19  -1.490  -1.195  -2.111
  161   2HB   LEU  19          3HB       LEU  19  -0.518  -0.952  -3.547
  162    HG   LEU  19           HG       LEU  19   0.907  -2.826  -2.925
  163   1HD1  LEU  19          1HD1      LEU  19  -0.534  -4.218  -1.009
  164   2HD1  LEU  19          2HD1      LEU  19   1.002  -3.388  -0.754
  165   3HD1  LEU  19          3HD1      LEU  19  -0.517  -2.563  -0.395
  166   1HD2  LEU  19          1HD2      LEU  19  -1.135  -3.114  -4.292
  167   2HD2  LEU  19          2HD2      LEU  19  -0.662  -4.568  -3.409
  168   3HD2  LEU  19          3HD2      LEU  19  -2.007  -3.583  -2.830
  169    H    TYR  20           HN       TYR  20   2.200  -0.795   0.004
  170    HA   TYR  20           HA       TYR  20   4.342  -0.921  -2.002
  171   1HB   TYR  20          2HB       TYR  20   4.338  -0.615   0.989
  172   2HB   TYR  20          3HB       TYR  20   5.791  -1.132   0.134
  173    HD1  TYR  20           1HD      TYR  20   3.190   1.539  -0.421
  174    HD2  TYR  20           2HD      TYR  20   7.311   0.530  -0.127
  175    HE1  TYR  20           1HE      TYR  20   3.805   3.860  -0.926
  176    HE2  TYR  20           2HE      TYR  20   7.924   2.851  -0.627
  177    HH   TYR  20           HH       TYR  20   6.436   5.258  -0.251
  178    H    MET  21           HN       MET  21   4.880  -2.849  -2.781
  179    HA   MET  21           HA       MET  21   4.905  -5.145  -0.988
  180   1HB   MET  21          2HB       MET  21   3.583  -6.496  -2.560
  181   2HB   MET  21          3HB       MET  21   2.674  -5.201  -1.824
  182   1HG   MET  21          2HG       MET  21   2.940  -3.879  -3.894
  183   2HG   MET  21          3HG       MET  21   3.746  -5.262  -4.635
  184   1HE   MET  21          1HE       MET  21   0.078  -4.641  -6.051
  185   2HE   MET  21          2HE       MET  21   1.723  -4.004  -6.046
  186   3HE   MET  21          3HE       MET  21   1.395  -5.592  -6.739
  187    H    LYS  22           HN       LYS  22   5.334  -7.181  -2.832
  188    HA   LYS  22           HA       LYS  22   8.007  -6.446  -3.766
  189   1HB   LYS  22          2HB       LYS  22   7.695  -8.401  -2.246
  190   2HB   LYS  22          3HB       LYS  22   6.725  -9.177  -3.487
  191   1HG   LYS  22          2HG       LYS  22   8.619  -9.369  -4.940
  192   2HG   LYS  22          3HG       LYS  22   9.613  -8.397  -3.850
  193   1HD   LYS  22          2HD       LYS  22   9.297 -10.124  -2.099
  194   2HD   LYS  22          3HD       LYS  22   8.416 -11.106  -3.269
  195   1HE   LYS  22          2HE       LYS  22  11.278 -10.206  -3.551
  196   2HE   LYS  22          3HE       LYS  22  10.765 -11.797  -2.998
  197   1HZ   LYS  22          1HZ       LYS  22  10.291 -12.457  -5.069
  198   2HZ   LYS  22          2HZ       LYS  22  11.334 -11.207  -5.531
  199   3HZ   LYS  22          3HZ       LYS  22   9.659 -10.959  -5.544
  200    H    GLY  23           HN       GLY  23   8.041  -5.729  -5.779
  201   1HA   GLY  23          1HA       GLY  23   6.008  -6.603  -7.666
  202   2HA   GLY  23          2HA       GLY  23   7.109  -5.249  -7.870
  203    H    SER  24           HN       SER  24   7.064  -8.795  -7.764
  204    HA   SER  24           HA       SER  24   9.465  -8.989  -9.354
  205   1HB   SER  24          2HB       SER  24   7.476 -11.104  -8.502
  206   2HB   SER  24          3HB       SER  24   9.045 -11.411  -9.246
  207    HG   SER  24           HG       SER  24   9.907 -10.133  -7.400
  208    HA   PRO  25           HA       PRO  25   7.726  -8.621 -13.369
  209   1HB   PRO  25          2HB       PRO  25   9.050 -10.735 -14.635
  210   2HB   PRO  25          3HB       PRO  25   9.657  -9.086 -14.463
  211   1HG   PRO  25          2HG       PRO  25  10.271 -11.512 -12.845
  212   2HG   PRO  25          3HG       PRO  25  11.333 -10.174 -13.318
  213   1HD   PRO  25          2HD       PRO  25  10.357 -10.371 -10.832
  214   2HD   PRO  25          3HD       PRO  25  10.557  -8.795 -11.625
  215    H    LYS  26           HN       LYS  26   7.979 -11.967 -12.183
  216    HA   LYS  26           HA       LYS  26   5.885 -12.993 -13.804
  217   1HB   LYS  26          2HB       LYS  26   5.938 -14.947 -12.296
  218   2HB   LYS  26          3HB       LYS  26   7.534 -14.503 -12.881
  219   1HG   LYS  26          2HG       LYS  26   8.090 -13.501 -10.773
  220   2HG   LYS  26          3HG       LYS  26   6.445 -13.738 -10.181
  221   1HD   LYS  26          2HD       LYS  26   7.963 -15.427  -9.280
  222   2HD   LYS  26          3HD       LYS  26   6.733 -16.155 -10.310
  223   1HE   LYS  26          2HE       LYS  26   8.348 -16.262 -12.150
  224   2HE   LYS  26          3HE       LYS  26   9.576 -15.542 -11.109
  225   1HZ   LYS  26          1HZ       LYS  26   9.404 -18.122 -11.395
  226   2HZ   LYS  26          2HZ       LYS  26   8.213 -17.974 -10.196
  227   3HZ   LYS  26          3HZ       LYS  26   9.793 -17.446  -9.890
  228    H    LEU  27           HN       LEU  27   5.984 -11.434 -10.680
  229    HA   LEU  27           HA       LEU  27   3.075 -11.295 -10.561
  230   1HB   LEU  27          2HB       LEU  27   4.094 -13.496  -9.526
  231   2HB   LEU  27          3HB       LEU  27   4.582 -12.427  -8.223
  232    HG   LEU  27           HG       LEU  27   1.740 -12.979  -9.108
  233   1HD1  LEU  27          1HD1      LEU  27   2.833 -14.849  -7.959
  234   2HD1  LEU  27          2HD1      LEU  27   3.198 -13.786  -6.600
  235   3HD1  LEU  27          3HD1      LEU  27   1.522 -14.150  -7.007
  236   1HD2  LEU  27          1HD2      LEU  27   0.997 -11.332  -7.812
  237   2HD2  LEU  27          2HD2      LEU  27   2.142 -11.710  -6.523
  238   3HD2  LEU  27          3HD2      LEU  27   2.643 -10.701  -7.880
  239    HA   PRO  28           HA       PRO  28   4.830  -7.437  -8.996
  240   1HB   PRO  28          2HB       PRO  28   2.478  -6.088  -8.880
  241   2HB   PRO  28          3HB       PRO  28   3.391  -6.314 -10.368
  242   1HG   PRO  28          2HG       PRO  28   0.990  -7.758  -9.346
  243   2HG   PRO  28          3HG       PRO  28   1.376  -7.248 -11.000
  244   1HD   PRO  28          2HD       PRO  28   1.683  -9.785 -10.120
  245   2HD   PRO  28          3HD       PRO  28   2.695  -9.072 -11.384
  246    H    SER  29           HN       SER  29   3.701  -9.677  -7.226
  247    HA   SER  29           HA       SER  29   4.030  -8.279  -4.812
  248   1HB   SER  29          2HB       SER  29   1.839  -9.028  -3.812
  249   2HB   SER  29          3HB       SER  29   1.756  -7.678  -4.935
  250    HG   SER  29           HG       SER  29   0.371  -8.843  -5.992
  251    H    CYS  30           HN       CYS  30   5.527 -10.146  -5.844
  252    HA   CYS  30           HA       CYS  30   4.804 -12.832  -5.245
  253   1HB   CYS  30          2HB       CYS  30   6.474 -12.112  -6.958
  254   2HB   CYS  30          3HB       CYS  30   7.548 -11.668  -5.639
  255    HG   CYS  30           HG       CYS  30   6.403 -14.859  -5.791
  256    H    GLY  31           HN       GLY  31   4.183 -11.706  -2.977
  257   1HA   GLY  31          1HA       GLY  31   5.941 -12.909  -1.033
  258   2HA   GLY  31          2HA       GLY  31   5.924 -11.147  -0.982
  259    H    PHE  32           HN       PHE  32   4.824 -10.662   0.823
  260    HA   PHE  32           HA       PHE  32   2.567 -12.235   1.670
  261   1HB   PHE  32          2HB       PHE  32   3.736  -9.684   2.730
  262   2HB   PHE  32          3HB       PHE  32   2.262 -10.387   3.380
  263    HD1  PHE  32           1HD      PHE  32   2.309 -12.129   4.888
  264    HD2  PHE  32           2HD      PHE  32   5.866 -11.008   2.840
  265    HE1  PHE  32           1HE      PHE  32   3.636 -13.544   6.419
  266    HE2  PHE  32           2HE      PHE  32   7.196 -12.433   4.348
  267    HZ   PHE  32           HZ       PHE  32   6.078 -13.704   6.141
  268    H    SER  33           HN       SER  33   2.934  -9.449  -0.292
  269    HA   SER  33           HA       SER  33   0.300  -8.461   0.161
  270   1HB   SER  33          2HB       SER  33   2.178  -7.062  -0.673
  271   2HB   SER  33          3HB       SER  33   2.085  -7.947  -2.191
  272    HG   SER  33           HG       SER  33   0.690  -6.448  -2.695
  273    H    ALA  34           HN       ALA  34   1.476 -11.133  -1.535
  274    HA   ALA  34           HA       ALA  34   0.051 -11.255  -3.872
  275   1HB   ALA  34          1HB       ALA  34   0.010 -13.781  -3.461
  276   2HB   ALA  34          2HB       ALA  34   1.581 -12.982  -3.492
  277   3HB   ALA  34          3HB       ALA  34   0.846 -13.419  -1.951
  278    H    GLN  35           HN       GLN  35  -1.086 -12.120  -0.642
  279    HA   GLN  35           HA       GLN  35  -3.738 -12.761  -1.578
  280   1HB   GLN  35          2HB       GLN  35  -2.956 -12.225   1.306
  281   2HB   GLN  35          3HB       GLN  35  -4.361 -13.095   0.715
  282   1HG   GLN  35          2HG       GLN  35  -2.970 -14.779   1.457
  283   2HG   GLN  35          3HG       GLN  35  -2.681 -14.760  -0.280
  284   1HE2  GLN  35          1HE2      GLN  35  -1.329 -12.097   1.238
  285   2HE2  GLN  35          2HE2      GLN  35   0.300 -12.649   1.373
  286    H    ALA  36           HN       ALA  36  -2.105 -10.054  -0.061
  287    HA   ALA  36           HA       ALA  36  -4.306  -8.507   0.648
  288   1HB   ALA  36          1HB       ALA  36  -2.158  -8.029   1.554
  289   2HB   ALA  36          2HB       ALA  36  -1.483  -7.721  -0.050
  290   3HB   ALA  36          3HB       ALA  36  -2.678  -6.616   0.634
  291    H    VAL  37           HN       VAL  37  -2.335  -8.441  -2.259
  292    HA   VAL  37           HA       VAL  37  -3.475  -6.245  -3.516
  293    HB   VAL  37           HB       VAL  37  -1.410  -7.330  -4.283
  294   1HG1  VAL  37          1HG1      VAL  37  -3.249  -9.571  -4.974
  295   2HG1  VAL  37          2HG1      VAL  37  -1.776  -9.311  -5.912
  296   3HG1  VAL  37          3HG1      VAL  37  -1.677  -9.609  -4.174
  297   1HG2  VAL  37          1HG2      VAL  37  -3.080  -5.957  -5.784
  298   2HG2  VAL  37          2HG2      VAL  37  -1.644  -6.708  -6.481
  299   3HG2  VAL  37          3HG2      VAL  37  -3.218  -7.492  -6.649
  300    H    GLN  38           HN       GLN  38  -4.472  -9.617  -3.484
  301    HA   GLN  38           HA       GLN  38  -6.537  -9.346  -5.403
  302   1HB   GLN  38          2HB       GLN  38  -6.524 -11.336  -3.137
  303   2HB   GLN  38          3HB       GLN  38  -7.269 -11.507  -4.719
  304   1HG   GLN  38          2HG       GLN  38  -4.324 -11.519  -4.089
  305   2HG   GLN  38          3HG       GLN  38  -5.314 -12.893  -4.567
  306   1HE2  GLN  38          1HE2      GLN  38  -6.531 -10.582  -6.471
  307   2HE2  GLN  38          2HE2      GLN  38  -5.456 -10.674  -7.822
  308    H    ALA  39           HN       ALA  39  -6.484  -9.280  -1.869
  309    HA   ALA  39           HA       ALA  39  -9.219  -8.906  -1.428
  310   1HB   ALA  39          1HB       ALA  39  -7.897  -9.523   0.416
  311   2HB   ALA  39          2HB       ALA  39  -6.802  -8.156   0.195
  312   3HB   ALA  39          3HB       ALA  39  -8.453  -7.884   0.764
  313    H    LEU  40           HN       LEU  40  -6.642  -6.506  -1.926
  314    HA   LEU  40           HA       LEU  40  -8.128  -4.220  -1.278
  315   1HB   LEU  40          2HB       LEU  40  -5.580  -4.681  -2.011
  316   2HB   LEU  40          3HB       LEU  40  -6.195  -4.061  -3.517
  317    HG   LEU  40           HG       LEU  40  -6.129  -2.603  -0.878
  318   1HD1  LEU  40          1HD1      LEU  40  -4.143  -1.901  -1.545
  319   2HD1  LEU  40          2HD1      LEU  40  -4.284  -2.827  -3.036
  320   3HD1  LEU  40          3HD1      LEU  40  -4.885  -1.167  -2.968
  321   1HD2  LEU  40          1HD2      LEU  40  -7.756  -1.275  -1.582
  322   2HD2  LEU  40          2HD2      LEU  40  -6.797  -0.865  -3.007
  323   3HD2  LEU  40          3HD2      LEU  40  -7.916  -2.227  -3.058
  324    H    ALA  41           HN       ALA  41  -7.331  -5.515  -4.470
  325    HA   ALA  41           HA       ALA  41  -8.969  -3.803  -5.960
  326   1HB   ALA  41          1HB       ALA  41  -8.814  -6.010  -7.528
  327   2HB   ALA  41          2HB       ALA  41  -7.547  -4.791  -7.398
  328   3HB   ALA  41          3HB       ALA  41  -7.449  -6.271  -6.445
  329    H    ALA  42           HN       ALA  42  -9.578  -6.724  -4.213
  330    HA   ALA  42           HA       ALA  42 -12.080  -7.354  -5.465
  331   1HB   ALA  42          1HB       ALA  42 -11.559  -9.264  -4.452
  332   2HB   ALA  42          2HB       ALA  42 -10.455  -8.464  -3.333
  333   3HB   ALA  42          3HB       ALA  42 -12.180  -8.533  -2.972
  334    H    CYS  43           HN       CYS  43 -11.253  -5.862  -2.321
  335    HA   CYS  43           HA       CYS  43 -14.005  -5.410  -1.715
  336   1HB   CYS  43          2HB       CYS  43 -13.155  -4.199   0.257
  337   2HB   CYS  43          3HB       CYS  43 -12.460  -5.792   0.082
  338    HG   CYS  43           HG       CYS  43  -9.986  -4.975  -0.727
  339    H    GLY  44           HN       GLY  44 -11.321  -3.216  -2.511
  340   1HA   GLY  44          1HA       GLY  44 -13.311  -1.129  -3.077
  341   2HA   GLY  44          2HA       GLY  44 -11.592  -0.859  -2.825
  342    H    GLU  45           HN       GLU  45 -10.950   0.062  -4.614
  343    HA   GLU  45           HA       GLU  45 -11.003  -1.501  -7.041
  344   1HB   GLU  45          2HB       GLU  45 -11.998   1.332  -6.956
  345   2HB   GLU  45          3HB       GLU  45 -11.387   0.588  -8.425
  346   1HG   GLU  45          2HG       GLU  45 -13.126  -1.254  -7.936
  347   2HG   GLU  45          3HG       GLU  45 -13.857  -0.047  -6.876
  348    H    ARG  46           HN       ARG  46 -10.024   0.899  -8.459
  349    HA   ARG  46           HA       ARG  46  -7.490   0.149  -8.752
  350   1HB   ARG  46          2HB       ARG  46  -8.331   3.033  -9.010
  351   2HB   ARG  46          3HB       ARG  46  -7.017   2.237  -9.859
  352   1HG   ARG  46          2HG       ARG  46  -9.955   1.717 -10.206
  353   2HG   ARG  46          3HG       ARG  46  -8.880   2.561 -11.316
  354   1HD   ARG  46          2HD       ARG  46  -7.601   0.508 -11.648
  355   2HD   ARG  46          3HD       ARG  46  -8.681  -0.341 -10.540
  356    HE   ARG  46           HE       ARG  46  -9.148   0.219 -13.287
  357   1HH1  ARG  46          2HH1      ARG  46 -10.791  -0.208 -10.215
  358   2HH1  ARG  46          1HH1      ARG  46 -12.368  -0.354 -10.925
  359   1HH2  ARG  46          2HH2      ARG  46 -11.221  -0.006 -14.219
  360   2HH2  ARG  46          1HH2      ARG  46 -12.614  -0.235 -13.206
  361    H    PHE  47           HN       PHE  47  -5.510   0.741  -8.165
  362    HA   PHE  47           HA       PHE  47  -5.047   2.578  -5.996
  363   1HB   PHE  47          2HB       PHE  47  -4.273   0.912  -4.422
  364   2HB   PHE  47          3HB       PHE  47  -5.931   0.551  -4.872
  365    HD1  PHE  47           1HD      PHE  47  -2.405  -0.409  -5.535
  366    HD2  PHE  47           2HD      PHE  47  -6.514  -1.542  -5.725
  367    HE1  PHE  47           1HE      PHE  47  -1.740  -2.724  -6.046
  368    HE2  PHE  47           2HE      PHE  47  -5.849  -3.861  -6.227
  369    HZ   PHE  47           HZ       PHE  47  -3.464  -4.448  -6.403
  370    H    ALA  48           HN       ALA  48  -2.849   2.942  -5.638
  371    HA   ALA  48           HA       ALA  48  -1.139   2.011  -7.826
  372   1HB   ALA  48          1HB       ALA  48  -1.153   4.377  -7.752
  373   2HB   ALA  48          2HB       ALA  48  -0.914   4.390  -6.004
  374   3HB   ALA  48          3HB       ALA  48   0.389   3.861  -7.068
  375    H    TYR  49           HN       TYR  49   0.817   1.026  -7.416
  376    HA   TYR  49           HA       TYR  49   1.250   0.253  -4.605
  377   1HB   TYR  49          2HB       TYR  49   1.436  -2.001  -5.159
  378   2HB   TYR  49          3HB       TYR  49   0.114  -1.485  -6.197
  379    HD1  TYR  49           1HD      TYR  49   0.269  -1.768  -8.539
  380    HD2  TYR  49           2HD      TYR  49   3.727  -2.177  -6.111
  381    HE1  TYR  49           1HE      TYR  49   1.502  -2.698 -10.457
  382    HE2  TYR  49           2HE      TYR  49   4.988  -3.068  -8.008
  383    HH   TYR  49           HH       TYR  49   4.887  -3.041 -10.489
  384    H    VAL  50           HN       VAL  50   3.427  -0.154  -4.080
  385    HA   VAL  50           HA       VAL  50   5.384   0.635  -6.129
  386    HB   VAL  50           HB       VAL  50   5.588   1.252  -3.160
  387   1HG1  VAL  50          1HG1      VAL  50   7.463   1.347  -5.383
  388   2HG1  VAL  50          2HG1      VAL  50   7.342   2.879  -4.519
  389   3HG1  VAL  50          3HG1      VAL  50   7.757   1.406  -3.644
  390   1HG2  VAL  50          1HG2      VAL  50   3.917   2.705  -3.941
  391   2HG2  VAL  50          2HG2      VAL  50   5.399   3.662  -3.982
  392   3HG2  VAL  50          3HG2      VAL  50   4.746   2.982  -5.475
  393    H    ASP  51           HN       ASP  51   6.905  -0.816  -6.455
  394    HA   ASP  51           HA       ASP  51   7.019  -3.141  -4.766
  395   1HB   ASP  51          2HB       ASP  51   8.793  -3.910  -6.364
  396   2HB   ASP  51          3HB       ASP  51   7.219  -3.613  -7.082
  397    H    ILE  52           HN       ILE  52   8.433  -3.566  -3.251
  398    HA   ILE  52           HA       ILE  52  10.737  -1.813  -2.869
  399    HB   ILE  52           HB       ILE  52   9.891  -1.997  -0.299
  400   1HG1  ILE  52          2HG1      ILE  52   7.507  -1.161  -0.370
  401   2HG1  ILE  52          3HG1      ILE  52   7.463  -1.694  -2.047
  402   1HG2  ILE  52          1HG2      ILE  52   8.823   0.377  -1.510
  403   2HG2  ILE  52          2HG2      ILE  52  10.199   0.174  -0.423
  404   3HG2  ILE  52          3HG2      ILE  52  10.411  -0.025  -2.164
  405   1HD1  ILE  52          1HD1      ILE  52   6.729  -3.611  -1.247
  406   2HD1  ILE  52          2HD1      ILE  52   8.393  -3.896  -0.733
  407   3HD1  ILE  52          3HD1      ILE  52   7.226  -3.214   0.400
  408    H    LEU  53           HN       LEU  53   9.092  -4.817  -2.069
  409    HA   LEU  53           HA       LEU  53  11.403  -5.934  -0.758
  410   1HB   LEU  53          2HB       LEU  53   9.094  -7.372  -2.090
  411   2HB   LEU  53          3HB       LEU  53  10.393  -8.152  -1.218
  412    HG   LEU  53           HG       LEU  53   8.730  -8.162   0.346
  413   1HD1  LEU  53          1HD1      LEU  53   9.160  -6.364   1.990
  414   2HD1  LEU  53          2HD1      LEU  53  10.614  -7.159   1.382
  415   3HD1  LEU  53          3HD1      LEU  53  10.161  -5.565   0.775
  416   1HD2  LEU  53          1HD2      LEU  53   7.311  -6.013   0.724
  417   2HD2  LEU  53          2HD2      LEU  53   7.813  -5.632  -0.925
  418   3HD2  LEU  53          3HD2      LEU  53   6.922  -7.120  -0.595
  419    H    GLN  54           HN       GLN  54  10.722  -4.886  -3.792
  420    HA   GLN  54           HA       GLN  54  12.560  -6.719  -5.126
  421   1HB   GLN  54          2HB       GLN  54  10.419  -6.342  -6.259
  422   2HB   GLN  54          3HB       GLN  54  10.708  -4.603  -6.255
  423   1HG   GLN  54          2HG       GLN  54  12.634  -6.429  -7.630
  424   2HG   GLN  54          3HG       GLN  54  11.118  -5.991  -8.409
  425   1HE2  GLN  54          1HE2      GLN  54  11.517  -3.320  -6.816
  426   2HE2  GLN  54          2HE2      GLN  54  12.551  -2.418  -7.858
  427    H    ASN  55           HN       ASN  55  12.128  -3.194  -4.535
  428    HA   ASN  55           HA       ASN  55  14.746  -2.526  -5.553
  429   1HB   ASN  55          2HB       ASN  55  12.779  -0.932  -3.904
  430   2HB   ASN  55          3HB       ASN  55  14.331  -0.301  -4.442
  431   1HD2  ASN  55          1HD2      ASN  55  11.193  -0.160  -5.081
  432   2HD2  ASN  55          2HD2      ASN  55  11.219   0.074  -6.794
  433    HA   PRO  56           HA       PRO  56  16.958  -3.676  -1.901
  434   1HB   PRO  56          2HB       PRO  56  19.316  -2.478  -2.521
  435   2HB   PRO  56          3HB       PRO  56  18.783  -4.000  -3.241
  436   1HG   PRO  56          2HG       PRO  56  18.676  -1.233  -4.362
  437   2HG   PRO  56          3HG       PRO  56  19.082  -2.755  -5.173
  438   1HD   PRO  56          2HD       PRO  56  16.650  -1.554  -5.384
  439   2HD   PRO  56          3HD       PRO  56  16.880  -3.309  -5.500
  440    H    ASP  57           HN       ASP  57  17.226  -0.321  -3.074
  441    HA   ASP  57           HA       ASP  57  18.114   0.667  -0.544
  442   1HB   ASP  57          2HB       ASP  57  17.086   2.142  -2.973
  443   2HB   ASP  57          3HB       ASP  57  17.812   2.918  -1.570
  444    H    ILE  58           HN       ILE  58  15.095   1.222  -2.324
  445    HA   ILE  58           HA       ILE  58  13.879   2.788  -0.368
  446    HB   ILE  58           HB       ILE  58  12.417   1.021  -2.345
  447   1HG1  ILE  58          2HG1      ILE  58  13.545   3.815  -2.718
  448   2HG1  ILE  58          3HG1      ILE  58  14.159   2.354  -3.482
  449   1HG2  ILE  58          1HG2      ILE  58  10.580   2.381  -2.036
  450   2HG2  ILE  58          2HG2      ILE  58  11.261   2.356  -0.408
  451   3HG2  ILE  58          3HG2      ILE  58  11.548   3.742  -1.464
  452   1HD1  ILE  58          1HD1      ILE  58  11.313   2.864  -3.936
  453   2HD1  ILE  58          2HD1      ILE  58  12.406   4.070  -4.616
  454   3HD1  ILE  58          3HD1      ILE  58  12.577   2.373  -5.063
  455    H    ARG  59           HN       ARG  59  14.021  -0.650  -0.797
  456    HA   ARG  59           HA       ARG  59  12.042  -1.665   0.814
  457   1HB   ARG  59          2HB       ARG  59  13.721  -2.910  -0.583
  458   2HB   ARG  59          3HB       ARG  59  14.892  -2.656   0.697
  459   1HG   ARG  59          2HG       ARG  59  13.434  -3.940   2.229
  460   2HG   ARG  59          3HG       ARG  59  12.353  -4.265   0.868
  461   1HD   ARG  59          2HD       ARG  59  15.231  -5.107   1.180
  462   2HD   ARG  59          3HD       ARG  59  13.810  -6.148   1.104
  463    HE   ARG  59           HE       ARG  59  13.930  -4.630  -1.250
  464   1HH1  ARG  59          2HH1      ARG  59  15.604  -7.268   0.341
  465   2HH1  ARG  59          1HH1      ARG  59  16.288  -7.884  -1.130
  466   1HH2  ARG  59          2HH2      ARG  59  14.822  -5.463  -3.191
  467   2HH2  ARG  59          1HH2      ARG  59  15.828  -6.876  -3.140
  468    H    ALA  60           HN       ALA  60  15.201  -0.413   1.755
  469    HA   ALA  60           HA       ALA  60  14.965  -1.329   4.434
  470   1HB   ALA  60          1HB       ALA  60  17.001  -0.044   2.769
  471   2HB   ALA  60          2HB       ALA  60  17.102   0.329   4.492
  472   3HB   ALA  60          3HB       ALA  60  17.145  -1.349   3.948
  473    H    GLU  61           HN       GLU  61  14.788   1.892   2.988
  474    HA   GLU  61           HA       GLU  61  15.158   3.161   5.452
  475   1HB   GLU  61          2HB       GLU  61  14.151   4.358   2.869
  476   2HB   GLU  61          3HB       GLU  61  14.842   5.247   4.220
  477   1HG   GLU  61          2HG       GLU  61  16.284   3.189   2.563
  478   2HG   GLU  61          3HG       GLU  61  16.439   4.936   2.395
  479    H    LEU  62           HN       LEU  62  12.175   3.417   3.434
  480    HA   LEU  62           HA       LEU  62  10.993   4.887   5.529
  481   1HB   LEU  62          2HB       LEU  62   9.107   5.296   4.191
  482   2HB   LEU  62          3HB       LEU  62  10.523   5.387   3.179
  483    HG   LEU  62           HG       LEU  62   8.800   4.395   1.903
  484   1HD1  LEU  62          1HD1      LEU  62   9.676   2.230   1.326
  485   2HD1  LEU  62          2HD1      LEU  62  10.956   3.419   1.558
  486   3HD1  LEU  62          3HD1      LEU  62  10.632   2.223   2.810
  487   1HD2  LEU  62          1HD2      LEU  62   7.400   2.651   2.529
  488   2HD2  LEU  62          2HD2      LEU  62   8.372   2.271   3.952
  489   3HD2  LEU  62          3HD2      LEU  62   7.437   3.764   3.896
  490    HA   PRO  63           HA       PRO  63   8.217   0.841   6.100
  491   1HB   PRO  63          2HB       PRO  63   9.962  -1.118   7.002
  492   2HB   PRO  63          3HB       PRO  63   9.217  -1.089   5.401
  493   1HG   PRO  63          2HG       PRO  63  11.929  -0.153   6.248
  494   2HG   PRO  63          3HG       PRO  63  11.459  -1.062   4.796
  495   1HD   PRO  63          2HD       PRO  63  11.938   1.537   4.633
  496   2HD   PRO  63          3HD       PRO  63  10.559   0.831   3.761
  497    H    LYS  64           HN       LYS  64  11.325   1.401   7.568
  498    HA   LYS  64           HA       LYS  64  10.933   0.999  10.243
  499   1HB   LYS  64          2HB       LYS  64  12.486   3.115   8.782
  500   2HB   LYS  64          3HB       LYS  64  12.693   2.726  10.486
  501   1HG   LYS  64          2HG       LYS  64  13.609   0.664  10.042
  502   2HG   LYS  64          3HG       LYS  64  12.916   0.579   8.426
  503   1HD   LYS  64          2HD       LYS  64  15.356   0.986   8.447
  504   2HD   LYS  64          3HD       LYS  64  14.427   2.230   7.623
  505   1HE   LYS  64          2HE       LYS  64  16.172   3.231   8.955
  506   2HE   LYS  64          3HE       LYS  64  14.589   3.653   9.605
  507   1HZ   LYS  64          1HZ       LYS  64  14.999   2.574  11.513
  508   2HZ   LYS  64          2HZ       LYS  64  16.626   2.699  11.064
  509   3HZ   LYS  64          3HZ       LYS  64  15.771   1.272  10.749
  510    H    TYR  65           HN       TYR  65  10.142   3.842   8.288
  511    HA   TYR  65           HA       TYR  65   9.372   5.387  10.529
  512   1HB   TYR  65          2HB       TYR  65   9.284   7.120   9.092
  513   2HB   TYR  65          3HB       TYR  65  10.057   6.013   7.984
  514    HD1  TYR  65           1HD      TYR  65   9.237   6.040   5.815
  515    HD2  TYR  65           2HD      TYR  65   6.560   6.904   9.018
  516    HE1  TYR  65           1HE      TYR  65   7.461   6.560   4.192
  517    HE2  TYR  65           2HE      TYR  65   4.782   7.387   7.403
  518    HH   TYR  65           HH       TYR  65   4.287   7.748   5.263
  519    H    ALA  66           HN       ALA  66   7.542   3.427   8.158
  520    HA   ALA  66           HA       ALA  66   5.014   4.350   9.066
  521   1HB   ALA  66          1HB       ALA  66   4.689   1.799   7.970
  522   2HB   ALA  66          2HB       ALA  66   4.503   3.359   7.167
  523   3HB   ALA  66          3HB       ALA  66   6.057   2.529   7.129
  524    H    ASN  67           HN       ASN  67   6.564   1.156   9.550
  525    HA   ASN  67           HA       ASN  67   6.266   1.098  12.281
  526   1HB   ASN  67          2HB       ASN  67   3.828   0.941  11.917
  527   2HB   ASN  67          3HB       ASN  67   4.069  -0.517  10.959
  528   1HD2  ASN  67          1HD2      ASN  67   3.555  -2.271  12.038
  529   2HD2  ASN  67          2HD2      ASN  67   3.788  -2.542  13.732
  530    H    TRP  68           HN       TRP  68   5.808  -1.021   9.552
  531    HA   TRP  68           HA       TRP  68   7.001  -3.351  10.464
  532   1HB   TRP  68          2HB       TRP  68   6.481  -2.222   7.730
  533   2HB   TRP  68          3HB       TRP  68   7.341  -3.749   7.918
  534    HD1  TRP  68           1HD      TRP  68   5.837  -5.669   7.473
  535    HE1  TRP  68           1HE      TRP  68   3.363  -6.267   7.849
  536    HE3  TRP  68           3HE      TRP  68   4.270  -1.353   9.731
  537    HZ2  TRP  68           2HZ      TRP  68   1.071  -5.089   8.955
  538    HZ3  TRP  68           3HZ      TRP  68   1.916  -1.178  10.414
  539    HH2  TRP  68           2HH      TRP  68   0.350  -3.006  10.030
  540    HA   PRO  69           HA       PRO  69  11.429  -2.698  10.022
  541   1HB   PRO  69          2HB       PRO  69  11.602  -5.492   9.146
  542   2HB   PRO  69          3HB       PRO  69  12.284  -4.734  10.588
  543   1HG   PRO  69          2HG       PRO  69  10.234  -6.485  10.708
  544   2HG   PRO  69          3HG       PRO  69  10.404  -5.140  11.851
  545   1HD   PRO  69          2HD       PRO  69   8.625  -5.378   9.451
  546   2HD   PRO  69          3HD       PRO  69   8.273  -4.691  11.051
  547    H    THR  70           HN       THR  70   9.456  -4.381   7.692
  548    HA   THR  70           HA       THR  70  10.684  -2.939   5.486
  549    HB   THR  70           HB       THR  70  10.670  -5.044   4.080
  550    HG1  THR  70           1HG      THR  70  11.120  -6.700   6.195
  551   1HG2  THR  70          1HG2      THR  70  12.850  -5.902   5.145
  552   2HG2  THR  70          2HG2      THR  70  12.609  -4.618   6.335
  553   3HG2  THR  70          3HG2      THR  70  12.790  -4.217   4.624
  554    H    PHE  71           HN       PHE  71   8.924  -5.307   4.064
  555    HA   PHE  71           HA       PHE  71   6.309  -4.070   4.561
  556   1HB   PHE  71          2HB       PHE  71   7.419  -4.417   1.761
  557   2HB   PHE  71          3HB       PHE  71   5.922  -3.624   2.213
  558    HD1  PHE  71           1HD      PHE  71   5.870  -1.302   2.543
  559    HD2  PHE  71           2HD      PHE  71   9.597  -3.360   2.495
  560    HE1  PHE  71           1HE      PHE  71   7.071   0.866   2.512
  561    HE2  PHE  71           2HE      PHE  71  10.779  -1.216   2.472
  562    HZ   PHE  71           HZ       PHE  71   9.513   0.876   2.468
  563    HA   PRO  72           HA       PRO  72   5.095  -4.601   1.671
  564   1HB   PRO  72          2HB       PRO  72   2.658  -6.057   1.350
  565   2HB   PRO  72          3HB       PRO  72   3.947  -5.810   0.187
  566   1HG   PRO  72          2HG       PRO  72   3.293  -8.225   1.363
  567   2HG   PRO  72          3HG       PRO  72   4.826  -7.848   0.561
  568   1HD   PRO  72          2HD       PRO  72   4.177  -7.942   3.464
  569   2HD   PRO  72          3HD       PRO  72   5.681  -8.361   2.625
  570    H    GLN  73           HN       GLN  73   3.453  -3.038   1.879
  571    HA   GLN  73           HA       GLN  73   1.743  -3.126   4.285
  572   1HB   GLN  73          2HB       GLN  73   3.459  -0.725   3.597
  573   2HB   GLN  73          3HB       GLN  73   2.446  -0.949   5.009
  574   1HG   GLN  73          2HG       GLN  73   3.963  -2.591   5.893
  575   2HG   GLN  73          3HG       GLN  73   4.961  -2.488   4.438
  576   1HE2  GLN  73          1HE2      GLN  73   4.784  -1.499   7.525
  577   2HE2  GLN  73          2HE2      GLN  73   5.689  -0.031   7.426
  578    H    LEU  74           HN       LEU  74  -0.189  -2.145   3.912
  579    HA   LEU  74           HA       LEU  74  -0.636  -0.838   1.332
  580   1HB   LEU  74          2HB       LEU  74  -2.094  -2.691   2.004
  581   2HB   LEU  74          3HB       LEU  74  -2.577  -1.804   3.430
  582    HG   LEU  74           HG       LEU  74  -4.263  -1.860   1.562
  583   1HD1  LEU  74          1HD1      LEU  74  -3.944   0.978   1.647
  584   2HD1  LEU  74          2HD1      LEU  74  -5.111  -0.040   2.490
  585   3HD1  LEU  74          3HD1      LEU  74  -3.543   0.294   3.222
  586   1HD2  LEU  74          1HD2      LEU  74  -2.310  -0.009   0.212
  587   2HD2  LEU  74          2HD2      LEU  74  -2.669  -1.664  -0.284
  588   3HD2  LEU  74          3HD2      LEU  74  -3.926  -0.429  -0.359
  589    H    TRP  75           HN       TRP  75  -1.169   1.272   1.135
  590    HA   TRP  75           HA       TRP  75  -1.403   2.867   3.604
  591   1HB   TRP  75          2HB       TRP  75  -0.038   3.621   1.022
  592   2HB   TRP  75          3HB       TRP  75  -0.348   4.733   2.348
  593    HD1  TRP  75           1HD      TRP  75   1.698   1.480   1.707
  594    HE1  TRP  75           1HE      TRP  75   3.739   1.567   3.290
  595    HE3  TRP  75           3HE      TRP  75   0.537   5.712   4.278
  596    HZ2  TRP  75           2HZ      TRP  75   4.704   3.213   5.364
  597    HZ3  TRP  75           3HZ      TRP  75   2.062   6.487   6.049
  598    HH2  TRP  75           2HH      TRP  75   4.099   5.258   6.578
  599    H    VAL  76           HN       VAL  76  -3.101   4.163   3.747
  600    HA   VAL  76           HA       VAL  76  -4.752   4.613   1.336
  601    HB   VAL  76           HB       VAL  76  -5.648   4.399   4.228
  602   1HG1  VAL  76          1HG1      VAL  76  -7.172   5.888   3.412
  603   2HG1  VAL  76          2HG1      VAL  76  -7.052   5.280   1.761
  604   3HG1  VAL  76          3HG1      VAL  76  -7.951   4.362   2.974
  605   1HG2  VAL  76          1HG2      VAL  76  -6.399   2.612   1.934
  606   2HG2  VAL  76          2HG2      VAL  76  -5.056   2.269   3.028
  607   3HG2  VAL  76          3HG2      VAL  76  -6.702   2.367   3.656
  608    H    ASP  77           HN       ASP  77  -4.731   6.736   0.717
  609    HA   ASP  77           HA       ASP  77  -4.521   9.024   0.767
  610   1HB   ASP  77          2HB       ASP  77  -6.576   8.791   2.031
  611   2HB   ASP  77          3HB       ASP  77  -5.647   8.499   3.497
  612    H    GLY  78           HN       GLY  78  -2.366   7.346   1.669
  613   1HA   GLY  78          1HA       GLY  78  -0.141   7.732   2.200
  614   2HA   GLY  78          2HA       GLY  78  -0.576   9.369   2.656
  615    H    GLU  79           HN       GLU  79  -2.212   6.611   3.989
  616    HA   GLU  79           HA       GLU  79  -0.683   6.858   6.465
  617   1HB   GLU  79          2HB       GLU  79  -3.675   6.675   6.222
  618   2HB   GLU  79          3HB       GLU  79  -2.804   6.403   7.725
  619   1HG   GLU  79          2HG       GLU  79  -1.898   8.684   7.578
  620   2HG   GLU  79          3HG       GLU  79  -2.851   8.947   6.123
  621    H    LEU  80           HN       LEU  80  -0.043   5.027   7.371
  622    HA   LEU  80           HA       LEU  80  -0.167   2.658   5.850
  623   1HB   LEU  80          2HB       LEU  80   1.773   3.163   7.166
  624   2HB   LEU  80          3HB       LEU  80   0.829   3.210   8.645
  625    HG   LEU  80           HG       LEU  80   0.344   0.773   8.305
  626   1HD1  LEU  80          1HD1      LEU  80   2.387  -0.151   6.797
  627   2HD1  LEU  80          2HD1      LEU  80   0.731   0.052   6.225
  628   3HD1  LEU  80          3HD1      LEU  80   1.933   1.300   5.904
  629   1HD2  LEU  80          1HD2      LEU  80   1.902   1.030   9.933
  630   2HD2  LEU  80          2HD2      LEU  80   2.903   0.207   8.737
  631   3HD2  LEU  80          3HD2      LEU  80   2.989   1.960   8.901
  632    H    VAL  81           HN       VAL  81  -1.461   0.978   5.902
  633    HA   VAL  81           HA       VAL  81  -3.371   0.735   8.128
  634    HB   VAL  81           HB       VAL  81  -3.594  -0.380   5.319
  635   1HG1  VAL  81          1HG1      VAL  81  -4.623  -1.713   7.263
  636   2HG1  VAL  81          2HG1      VAL  81  -5.787  -0.394   7.361
  637   3HG1  VAL  81          3HG1      VAL  81  -5.645  -1.336   5.878
  638   1HG2  VAL  81          1HG2      VAL  81  -5.701   1.178   5.455
  639   2HG2  VAL  81          2HG2      VAL  81  -4.728   2.020   6.663
  640   3HG2  VAL  81          3HG2      VAL  81  -4.119   1.828   5.019
  641    H    GLY  82           HN       GLY  82  -1.487  -1.215   5.827
  642   1HA   GLY  82          1HA       GLY  82   0.116  -2.759   7.234
  643   2HA   GLY  82          2HA       GLY  82  -1.422  -3.459   7.712
  644    H    GLY  83           HN       GLY  83   0.917  -4.463   5.967
  645   1HA   GLY  83          1HA       GLY  83  -0.192  -4.380   3.340
  646   2HA   GLY  83          2HA       GLY  83   1.288  -5.182   3.807
  647    H    CYS  84           HN       CYS  84   0.837  -7.372   5.069
  648    HA   CYS  84           HA       CYS  84  -0.875  -8.828   3.254
  649   1HB   CYS  84          2HB       CYS  84   1.210  -9.875   3.791
  650   2HB   CYS  84          3HB       CYS  84   0.854  -9.820   5.521
  651    HG   CYS  84           HG       CYS  84   0.255 -12.346   5.337
  652    H    ASP  85           HN       ASP  85  -0.637  -9.007   6.761
  653    HA   ASP  85           HA       ASP  85  -2.989 -10.434   7.096
  654   1HB   ASP  85          2HB       ASP  85  -1.711  -8.636   9.168
  655   2HB   ASP  85          3HB       ASP  85  -2.717 -10.049   9.467
  656    H    ILE  86           HN       ILE  86  -2.327  -7.047   7.673
  657    HA   ILE  86           HA       ILE  86  -4.834  -6.404   8.663
  658    HB   ILE  86           HB       ILE  86  -2.864  -4.544   7.317
  659   1HG1  ILE  86          2HG1      ILE  86  -2.348  -3.907   9.715
  660   2HG1  ILE  86          3HG1      ILE  86  -3.272  -5.313  10.219
  661   1HG2  ILE  86          1HG2      ILE  86  -4.731  -3.548   9.368
  662   2HG2  ILE  86          2HG2      ILE  86  -4.183  -2.797   7.869
  663   3HG2  ILE  86          3HG2      ILE  86  -5.464  -4.007   7.831
  664   1HD1  ILE  86          1HD1      ILE  86  -0.685  -5.423  10.034
  665   2HD1  ILE  86          2HD1      ILE  86  -1.667  -6.788   9.509
  666   3HD1  ILE  86          3HD1      ILE  86  -1.009  -5.665   8.317
  667    H    VAL  87           HN       VAL  87  -3.594  -6.189   5.321
  668    HA   VAL  87           HA       VAL  87  -5.882  -4.977   4.222
  669    HB   VAL  87           HB       VAL  87  -3.849  -6.801   2.934
  670   1HG1  VAL  87          1HG1      VAL  87  -6.362  -5.635   1.862
  671   2HG1  VAL  87          2HG1      VAL  87  -4.930  -5.569   0.833
  672   3HG1  VAL  87          3HG1      VAL  87  -5.526  -7.124   1.416
  673   1HG2  VAL  87          1HG2      VAL  87  -4.145  -4.022   2.076
  674   2HG2  VAL  87          2HG2      VAL  87  -3.645  -4.211   3.758
  675   3HG2  VAL  87          3HG2      VAL  87  -2.692  -4.943   2.467
  676    H    ILE  88           HN       ILE  88  -5.039  -8.452   4.448
  677    HA   ILE  88           HA       ILE  88  -7.412  -9.373   3.291
  678    HB   ILE  88           HB       ILE  88  -5.636 -10.711   5.330
  679   1HG1  ILE  88          2HG1      ILE  88  -4.593 -10.226   3.133
  680   2HG1  ILE  88          3HG1      ILE  88  -4.781 -11.958   3.409
  681   1HG2  ILE  88          1HG2      ILE  88  -6.813 -12.703   5.093
  682   2HG2  ILE  88          2HG2      ILE  88  -8.097 -11.495   5.170
  683   3HG2  ILE  88          3HG2      ILE  88  -7.613 -12.169   3.613
  684   1HD1  ILE  88          1HD1      ILE  88  -6.361 -10.179   1.590
  685   2HD1  ILE  88          2HD1      ILE  88  -5.384 -11.590   1.180
  686   3HD1  ILE  88          3HD1      ILE  88  -6.910 -11.791   2.046
  687    H    GLU  89           HN       GLU  89  -6.608  -8.842   6.731
  688    HA   GLU  89           HA       GLU  89  -9.104  -9.683   7.713
  689   1HB   GLU  89          2HB       GLU  89  -7.096  -9.408   9.123
  690   2HB   GLU  89          3HB       GLU  89  -7.217  -7.664   8.940
  691   1HG   GLU  89          2HG       GLU  89  -9.360  -7.666  10.089
  692   2HG   GLU  89          3HG       GLU  89  -9.297  -9.424  10.219
  693    H    MET  90           HN       MET  90  -7.930  -6.370   7.047
  694    HA   MET  90           HA       MET  90 -10.353  -5.072   7.646
  695   1HB   MET  90          2HB       MET  90  -8.059  -4.255   5.877
  696   2HB   MET  90          3HB       MET  90  -9.426  -3.203   6.218
  697   1HG   MET  90          2HG       MET  90  -7.529  -4.358   8.249
  698   2HG   MET  90          3HG       MET  90  -7.542  -2.696   7.661
  699   1HE   MET  90          1HE       MET  90  -7.842  -3.550  10.951
  700   2HE   MET  90          2HE       MET  90  -7.433  -2.059  10.103
  701   3HE   MET  90          3HE       MET  90  -8.786  -2.089  11.233
  702    H    TYR  91           HN       TYR  91  -9.216  -6.608   4.723
  703    HA   TYR  91           HA       TYR  91 -11.238  -5.790   2.931
  704   1HB   TYR  91          2HB       TYR  91  -9.467  -6.894   1.932
  705   2HB   TYR  91          3HB       TYR  91  -9.357  -8.091   3.210
  706    HD1  TYR  91           1HD      TYR  91 -10.001 -10.203   2.783
  707    HD2  TYR  91           2HD      TYR  91 -11.668  -7.099   0.415
  708    HE1  TYR  91           1HE      TYR  91 -11.056 -11.881   1.362
  709    HE2  TYR  91           2HE      TYR  91 -12.760  -8.771  -1.015
  710    HH   TYR  91           HH       TYR  91 -13.278 -10.944  -1.253
  711    H    GLN  92           HN       GLN  92 -10.994  -8.584   5.076
  712    HA   GLN  92           HA       GLN  92 -13.568  -9.607   4.528
  713   1HB   GLN  92          2HB       GLN  92 -11.857  -9.951   7.000
  714   2HB   GLN  92          3HB       GLN  92 -13.236 -10.954   6.564
  715   1HG   GLN  92          2HG       GLN  92 -12.066 -11.691   4.548
  716   2HG   GLN  92          3HG       GLN  92 -10.689 -10.678   4.981
  717   1HE2  GLN  92          1HE2      GLN  92 -11.718 -13.735   4.943
  718   2HE2  GLN  92          2HE2      GLN  92 -10.821 -14.382   6.278
  719    H    ARG  93           HN       ARG  93 -12.307  -7.382   6.945
  720    HA   ARG  93           HA       ARG  93 -14.620  -7.047   8.516
  721   1HB   ARG  93          2HB       ARG  93 -12.430  -5.051   7.919
  722   2HB   ARG  93          3HB       ARG  93 -13.588  -4.932   9.227
  723   1HG   ARG  93          2HG       ARG  93 -11.513  -7.081   8.911
  724   2HG   ARG  93          3HG       ARG  93 -11.403  -5.690   9.994
  725   1HD   ARG  93          2HD       ARG  93 -13.457  -7.895  10.120
  726   2HD   ARG  93          3HD       ARG  93 -12.099  -7.672  11.218
  727    HE   ARG  93           HE       ARG  93 -13.614  -5.320  11.224
  728   1HH1  ARG  93          2HH1      ARG  93 -13.812  -8.640  12.330
  729   2HH1  ARG  93          1HH1      ARG  93 -14.998  -8.290  13.557
  730   1HH2  ARG  93          2HH2      ARG  93 -15.149  -4.856  12.837
  731   2HH2  ARG  93          1HH2      ARG  93 -15.766  -6.134  13.844
  732    H    GLY  94           HN       GLY  94 -13.581  -5.542   5.517
  733   1HA   GLY  94          1HA       GLY  94 -15.061  -4.435   3.990
  734   2HA   GLY  94          2HA       GLY  94 -16.165  -4.143   5.328
  735    H    GLU  95           HN       GLU  95 -13.788  -3.387   7.006
  736    HA   GLU  95           HA       GLU  95 -13.972  -0.619   6.849
  737   1HB   GLU  95          2HB       GLU  95 -11.724  -2.280   7.988
  738   2HB   GLU  95          3HB       GLU  95 -12.034  -0.587   8.348
  739   1HG   GLU  95          2HG       GLU  95 -13.898  -2.870   8.944
  740   2HG   GLU  95          3HG       GLU  95 -12.834  -2.082  10.098
  741    H    LEU  96           HN       LEU  96 -11.543  -2.766   5.372
  742    HA   LEU  96           HA       LEU  96  -9.710  -0.794   4.618
  743   1HB   LEU  96          2HB       LEU  96  -9.382  -3.292   4.565
  744   2HB   LEU  96          3HB       LEU  96 -10.325  -3.326   3.093
  745    HG   LEU  96           HG       LEU  96  -7.720  -1.818   3.371
  746   1HD1  LEU  96          1HD1      LEU  96  -8.235  -4.621   3.139
  747   2HD1  LEU  96          2HD1      LEU  96  -7.454  -4.029   1.672
  748   3HD1  LEU  96          3HD1      LEU  96  -6.693  -3.774   3.241
  749   1HD2  LEU  96          1HD2      LEU  96  -9.529  -2.466   1.067
  750   2HD2  LEU  96          2HD2      LEU  96  -8.849  -0.908   1.537
  751   3HD2  LEU  96          3HD2      LEU  96  -7.811  -2.146   0.830
  752    H    GLN  97           HN       GLN  97 -12.308  -2.255   2.720
  753    HA   GLN  97           HA       GLN  97 -12.028  -0.543   0.484
  754   1HB   GLN  97          2HB       GLN  97 -14.333  -1.317  -0.112
  755   2HB   GLN  97          3HB       GLN  97 -13.150  -2.594   0.105
  756   1HG   GLN  97          2HG       GLN  97 -14.041  -2.995   2.358
  757   2HG   GLN  97          3HG       GLN  97 -15.247  -1.741   2.084
  758   1HE2  GLN  97          1HE2      GLN  97 -14.724  -4.968   2.066
  759   2HE2  GLN  97          2HE2      GLN  97 -15.999  -5.464   1.001
  760    H    GLN  98           HN       GLN  98 -13.597  -0.208   3.517
  761    HA   GLN  98           HA       GLN  98 -15.330   1.918   2.865
  762   1HB   GLN  98          2HB       GLN  98 -15.885   0.692   4.747
  763   2HB   GLN  98          3HB       GLN  98 -14.231   0.605   5.309
  764   1HG   GLN  98          2HG       GLN  98 -15.617   1.981   6.724
  765   2HG   GLN  98          3HG       GLN  98 -14.288   2.848   5.971
  766   1HE2  GLN  98          1HE2      GLN  98 -14.908   4.865   5.607
  767   2HE2  GLN  98          2HE2      GLN  98 -16.421   5.356   4.926
  768    H    LEU  99           HN       LEU  99 -12.113   1.644   4.272
  769    HA   LEU  99           HA       LEU  99 -11.590   4.427   4.525
  770   1HB   LEU  99          2HB       LEU  99  -9.574   2.228   4.027
  771   2HB   LEU  99          3HB       LEU  99  -9.268   3.790   4.761
  772    HG   LEU  99           HG       LEU  99 -10.902   1.551   5.958
  773   1HD1  LEU  99          1HD1      LEU  99  -8.089   2.478   6.276
  774   2HD1  LEU  99          2HD1      LEU  99  -8.944   1.870   7.694
  775   3HD1  LEU  99          3HD1      LEU  99  -8.752   0.844   6.273
  776   1HD2  LEU  99          1HD2      LEU  99 -10.042   3.926   7.529
  777   2HD2  LEU  99          2HD2      LEU  99 -11.406   4.126   6.428
  778   3HD2  LEU  99          3HD2      LEU  99 -11.472   2.908   7.703
  779    H    ILE 100           HN       ILE 100 -10.866   2.035   2.014
  780    HA   ILE 100           HA       ILE 100  -9.516   3.778   0.261
  781    HB   ILE 100           HB       ILE 100 -11.113   1.302  -0.425
  782   1HG1  ILE 100          2HG1      ILE 100  -9.287   0.840   1.141
  783   2HG1  ILE 100          3HG1      ILE 100  -8.939   0.158  -0.443
  784   1HG2  ILE 100          1HG2      ILE 100 -10.740   1.781  -2.560
  785   2HG2  ILE 100          2HG2      ILE 100  -9.874   3.251  -2.108
  786   3HG2  ILE 100          3HG2      ILE 100  -9.004   1.722  -2.252
  787   1HD1  ILE 100          1HD1      ILE 100  -7.674   2.479   0.939
  788   2HD1  ILE 100          2HD1      ILE 100  -6.920   1.071   0.187
  789   3HD1  ILE 100          3HD1      ILE 100  -7.613   2.344  -0.819
  790    H    LYS 101           HN       LYS 101 -12.934   2.837   0.489
  791    HA   LYS 101           HA       LYS 101 -13.938   4.079  -1.750
  792   1HB   LYS 101          2HB       LYS 101 -15.276   2.649  -0.285
  793   2HB   LYS 101          3HB       LYS 101 -15.210   3.867   0.986
  794   1HG   LYS 101          2HG       LYS 101 -16.374   5.425  -0.509
  795   2HG   LYS 101          3HG       LYS 101 -16.526   4.140  -1.690
  796   1HD   LYS 101          2HD       LYS 101 -18.589   4.278  -0.478
  797   2HD   LYS 101          3HD       LYS 101 -17.761   2.803   0.017
  798   1HE   LYS 101          2HE       LYS 101 -18.675   3.891   1.961
  799   2HE   LYS 101          3HE       LYS 101 -16.916   3.994   2.014
  800   1HZ   LYS 101          1HZ       LYS 101 -17.836   6.101   2.620
  801   2HZ   LYS 101          2HZ       LYS 101 -18.803   6.151   1.228
  802   3HZ   LYS 101          3HZ       LYS 101 -17.120   6.271   1.090
  803    H    GLU 102           HN       GLU 102 -13.668   5.440   1.511
  804    HA   GLU 102           HA       GLU 102 -14.644   7.977   0.786
  805   1HB   GLU 102          2HB       GLU 102 -14.649   7.209   3.094
  806   2HB   GLU 102          3HB       GLU 102 -12.888   7.170   3.113
  807   1HG   GLU 102          2HG       GLU 102 -12.793   9.563   2.872
  808   2HG   GLU 102          3HG       GLU 102 -14.545   9.648   2.699
  809    H    THR 103           HN       THR 103 -11.347   6.755   1.174
  810    HA   THR 103           HA       THR 103 -10.050   9.187   0.578
  811    HB   THR 103           HB       THR 103  -9.008   6.375   0.319
  812    HG1  THR 103           1HG      THR 103  -9.458   6.617   2.433
  813   1HG2  THR 103          1HG2      THR 103  -7.581   7.867  -0.890
  814   2HG2  THR 103          2HG2      THR 103  -6.798   7.462   0.638
  815   3HG2  THR 103          3HG2      THR 103  -7.593   9.024   0.441
  816    H    ALA 104           HN       ALA 104 -10.780   6.381  -1.455
  817    HA   ALA 104           HA       ALA 104  -9.527   7.377  -3.768
  818   1HB   ALA 104          1HB       ALA 104 -10.046   5.364  -4.535
  819   2HB   ALA 104          2HB       ALA 104 -10.986   5.062  -3.075
  820   3HB   ALA 104          3HB       ALA 104 -11.763   5.759  -4.495
  821    H    ALA 105           HN       ALA 105 -12.855   7.647  -2.545
  822    HA   ALA 105           HA       ALA 105 -13.867   9.008  -4.799
  823   1HB   ALA 105          1HB       ALA 105 -15.819   9.197  -3.694
  824   2HB   ALA 105          2HB       ALA 105 -15.075   7.930  -2.716
  825   3HB   ALA 105          3HB       ALA 105 -15.051   9.603  -2.159
  826    H    LYS 106           HN       LYS 106 -12.170  10.211  -1.916
  827    HA   LYS 106           HA       LYS 106 -12.770  12.889  -2.729
  828   1HB   LYS 106          2HB       LYS 106 -11.174  13.618  -0.911
  829   2HB   LYS 106          3HB       LYS 106 -12.668  12.839  -0.446
  830   1HG   LYS 106          2HG       LYS 106 -11.092  11.977   1.008
  831   2HG   LYS 106          3HG       LYS 106 -11.288  10.725  -0.200
  832   1HD   LYS 106          2HD       LYS 106  -9.210  11.178  -1.172
  833   2HD   LYS 106          3HD       LYS 106  -9.050  12.728  -0.356
  834   1HE   LYS 106          2HE       LYS 106  -9.097  10.050   1.010
  835   2HE   LYS 106          3HE       LYS 106  -7.644  10.979   0.647
  836   1HZ   LYS 106          1HZ       LYS 106  -8.948  11.111   2.967
  837   2HZ   LYS 106          2HZ       LYS 106  -9.694  12.394   2.146
  838   3HZ   LYS 106          3HZ       LYS 106  -8.010  12.378   2.342
  839    H    TYR 107           HN       TYR 107 -10.200  10.677  -3.447
  840    HA   TYR 107           HA       TYR 107  -8.696  12.867  -4.682
  841   1HB   TYR 107          2HB       TYR 107  -8.119   9.914  -4.568
  842   2HB   TYR 107          3HB       TYR 107  -7.168  11.047  -5.517
  843    HD1  TYR 107           1HD      TYR 107  -5.719  12.660  -4.426
  844    HD2  TYR 107           2HD      TYR 107  -7.932   9.813  -2.146
  845    HE1  TYR 107           1HE      TYR 107  -4.276  13.085  -2.490
  846    HE2  TYR 107           2HE      TYR 107  -6.550  10.263  -0.222
  847    HH   TYR 107           HH       TYR 107  -4.947  11.638   0.657
  848    H    LYS 108           HN       LYS 108 -10.388   9.895  -5.721
  849    HA   LYS 108           HA       LYS 108 -10.556  11.026  -8.418
  850   1HB   LYS 108          2HB       LYS 108 -11.018   8.196  -7.510
  851   2HB   LYS 108          3HB       LYS 108 -11.384   8.774  -9.123
  852   1HG   LYS 108          2HG       LYS 108  -9.315   7.622  -9.217
  853   2HG   LYS 108          3HG       LYS 108  -8.967   9.340  -9.389
  854   1HD   LYS 108          2HD       LYS 108  -7.389   8.148  -7.895
  855   2HD   LYS 108          3HD       LYS 108  -8.246   9.473  -7.100
  856   1HE   LYS 108          2HE       LYS 108  -8.186   7.529  -5.655
  857   2HE   LYS 108          3HE       LYS 108  -9.835   7.891  -6.170
  858   1HZ   LYS 108          1HZ       LYS 108  -8.778   5.452  -6.265
  859   2HZ   LYS 108          2HZ       LYS 108  -8.375   5.983  -7.818
  860   3HZ   LYS 108          3HZ       LYS 108  -9.999   5.968  -7.320
  861    H    SER 109           HN       SER 109 -12.528  11.573  -9.240
  862    HA   SER 109           HA       SER 109 -14.475  12.305  -7.458
  863   1HB   SER 109          2HB       SER 109 -15.909  12.701  -9.487
  864   2HB   SER 109          3HB       SER 109 -14.314  13.439  -9.531
  865    HG   SER 109           HG       SER 109 -14.899  10.920 -10.694
  866    H    GLU 110           HN       GLU 110 -15.756  11.256  -6.330
  867    HA   GLU 110           HA       GLU 110 -17.250   9.750  -5.514
  868   1HB   GLU 110          2HB       GLU 110 -18.235  10.092  -8.342
  869   2HB   GLU 110          3HB       GLU 110 -19.204   9.556  -6.974
  870   1HG   GLU 110          2HG       GLU 110 -18.848  11.688  -5.867
  871   2HG   GLU 110          3HG       GLU 110 -17.836  12.223  -7.206
  872    H    GLU 111           HN       GLU 111 -15.015   8.205  -6.205
  873    HA   GLU 111           HA       GLU 111 -16.044   5.885  -7.606
  874   1HB   GLU 111          2HB       GLU 111 -13.450   6.401  -6.157
  875   2HB   GLU 111          3HB       GLU 111 -13.873   4.819  -6.813
  876   1HG   GLU 111          2HG       GLU 111 -14.105   5.866  -9.045
  877   2HG   GLU 111          3HG       GLU 111 -13.572   7.393  -8.349
  878    HA   PRO 112           HA       PRO 112 -17.957   4.574  -3.840
  879   1HB   PRO 112          2HB       PRO 112 -19.715   2.934  -4.949
  880   2HB   PRO 112          3HB       PRO 112 -19.838   4.683  -5.150
  881   1HG   PRO 112          2HG       PRO 112 -18.911   2.605  -7.068
  882   2HG   PRO 112          3HG       PRO 112 -19.765   4.126  -7.383
  883   1HD   PRO 112          2HD       PRO 112 -17.002   3.677  -7.648
  884   2HD   PRO 112          3HD       PRO 112 -17.820   5.248  -7.642
  885    H    ASP 113           HN       ASP 113 -15.618   3.381  -3.824
  886    HA   ASP 113           HA       ASP 113 -15.249   0.774  -4.537
  887   1HB   ASP 113          2HB       ASP 113 -14.195   2.104  -2.037
  888   2HB   ASP 113          3HB       ASP 113 -13.539   0.636  -2.767
  889    H    ALA 114           HN       ALA 114 -16.044   1.685  -1.182
  890    HA   ALA 114           HA       ALA 114 -16.698  -1.003  -0.500
  891   1HB   ALA 114          1HB       ALA 114 -17.761   0.432   1.537
  892   2HB   ALA 114          2HB       ALA 114 -16.062  -0.034   1.423
  893   3HB   ALA 114          3HB       ALA 114 -16.574   1.572   0.901
  894    H    GLU 115           HN       GLU 115 -18.561   1.894  -1.199
  895    HA   GLU 115           HA       GLU 115 -20.860   0.370  -1.983
  896   1HB   GLU 115          2HB       GLU 115 -21.072   0.430   0.500
  897   2HB   GLU 115          3HB       GLU 115 -21.016   2.183   0.443
  898   1HG   GLU 115          2HG       GLU 115 -23.094   2.190  -0.863
  899   2HG   GLU 115          3HG       GLU 115 -23.153   0.430  -0.749
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  22.423   6.904   2.306
    2   2H    MET   1          2H        MET   1  22.622   5.990   3.720
    3   3H    MET   1          3H        MET   1  22.822   7.669   3.769
    4    HA   MET   1           HA       MET   1  20.293   7.124   2.712
    5   1HB   MET   1          2HB       MET   1  20.875   5.761   5.357
    6   2HB   MET   1          3HB       MET   1  19.280   5.982   4.658
    7   1HG   MET   1          2HG       MET   1  19.919   3.747   4.243
    8   2HG   MET   1          3HG       MET   1  20.029   4.609   2.711
    9   1HE   MET   1          1HE       MET   1  23.650   3.377   5.290
   10   2HE   MET   1          2HE       MET   1  22.489   4.610   5.779
   11   3HE   MET   1          3HE       MET   1  21.985   2.925   5.651
   12    H    SER   2           HN       SER   2  21.752   9.378   3.205
   13    HA   SER   2           HA       SER   2  21.277  10.552   5.735
   14   1HB   SER   2          2HB       SER   2  23.024  11.357   4.180
   15   2HB   SER   2          3HB       SER   2  21.772  11.896   3.062
   16    HG   SER   2           HG       SER   2  22.101  12.820   5.734
   17    H    THR   3           HN       THR   3  19.616  10.768   2.620
   18    HA   THR   3           HA       THR   3  17.103  11.310   3.971
   19    HB   THR   3           HB       THR   3  16.566  13.189   2.371
   20    HG1  THR   3           1HG      THR   3  18.589  12.601   1.081
   21   1HG2  THR   3          1HG2      THR   3  18.785  13.693   4.358
   22   2HG2  THR   3          2HG2      THR   3  17.052  13.698   4.692
   23   3HG2  THR   3          3HG2      THR   3  17.755  14.936   3.649
   24    H    THR   4           HN       THR   4  15.491  10.264   2.974
   25    HA   THR   4           HA       THR   4  15.461   9.810   0.120
   26    HB   THR   4           HB       THR   4  15.459   7.365   1.916
   27    HG1  THR   4           1HG      THR   4  17.534   6.989   1.361
   28   1HG2  THR   4          1HG2      THR   4  15.198   7.849  -1.023
   29   2HG2  THR   4          2HG2      THR   4  14.241   6.806   0.030
   30   3HG2  THR   4          3HG2      THR   4  15.873   6.327  -0.439
   31    H    ILE   5           HN       ILE   5  14.186   8.863   3.267
   32    HA   ILE   5           HA       ILE   5  11.574   8.200   2.592
   33    HB   ILE   5           HB       ILE   5  12.773   9.326   5.113
   34   1HG1  ILE   5          2HG1      ILE   5  11.510   6.653   4.626
   35   2HG1  ILE   5          3HG1      ILE   5  13.209   6.939   4.252
   36   1HG2  ILE   5          1HG2      ILE   5  10.288   9.905   4.724
   37   2HG2  ILE   5          2HG2      ILE   5  10.014   8.181   4.985
   38   3HG2  ILE   5          3HG2      ILE   5  10.756   9.155   6.253
   39   1HD1  ILE   5          1HD1      ILE   5  12.777   5.871   6.460
   40   2HD1  ILE   5          2HD1      ILE   5  13.693   7.375   6.552
   41   3HD1  ILE   5          3HD1      ILE   5  11.978   7.361   6.963
   42    H    GLU   6           HN       GLU   6  13.013  11.379   3.161
   43    HA   GLU   6           HA       GLU   6  10.707  12.892   3.431
   44   1HB   GLU   6          2HB       GLU   6  13.182  13.734   1.915
   45   2HB   GLU   6          3HB       GLU   6  12.012  14.794   2.686
   46   1HG   GLU   6          2HG       GLU   6  13.870  12.877   4.076
   47   2HG   GLU   6          3HG       GLU   6  14.042  14.626   4.000
   48    H    LYS   7           HN       LYS   7  12.376  11.894   0.469
   49    HA   LYS   7           HA       LYS   7  10.421  13.029  -1.291
   50   1HB   LYS   7          2HB       LYS   7  12.671  11.077  -1.740
   51   2HB   LYS   7          3HB       LYS   7  11.550  11.522  -3.016
   52   1HG   LYS   7          2HG       LYS   7  13.566  12.819  -3.215
   53   2HG   LYS   7          3HG       LYS   7  12.230  13.875  -2.765
   54   1HD   LYS   7          2HD       LYS   7  12.997  13.811  -0.426
   55   2HD   LYS   7          3HD       LYS   7  14.353  12.790  -0.914
   56   1HE   LYS   7          2HE       LYS   7  13.808  15.591  -1.894
   57   2HE   LYS   7          3HE       LYS   7  15.019  15.137  -0.695
   58   1HZ   LYS   7          1HZ       LYS   7  15.433  13.552  -2.957
   59   2HZ   LYS   7          2HZ       LYS   7  16.431  14.779  -2.341
   60   3HZ   LYS   7          3HZ       LYS   7  15.247  15.151  -3.495
   61    H    ILE   8           HN       ILE   8  11.026   9.836   0.096
   62    HA   ILE   8           HA       ILE   8   9.176   8.362  -1.364
   63    HB   ILE   8           HB       ILE   8  10.104   8.022   1.487
   64   1HG1  ILE   8          2HG1      ILE   8  10.917   6.649  -1.086
   65   2HG1  ILE   8          3HG1      ILE   8  11.859   7.871  -0.239
   66   1HG2  ILE   8          1HG2      ILE   8   8.885   6.167   1.738
   67   2HG2  ILE   8          2HG2      ILE   8   7.856   6.904   0.508
   68   3HG2  ILE   8          3HG2      ILE   8   9.056   5.696   0.046
   69   1HD1  ILE   8          1HD1      ILE   8  12.321   5.287   0.038
   70   2HD1  ILE   8          2HD1      ILE   8  12.544   6.424   1.367
   71   3HD1  ILE   8          3HD1      ILE   8  11.077   5.450   1.276
   72    H    GLN   9           HN       GLN   9   8.720  10.235   1.628
   73    HA   GLN   9           HA       GLN   9   6.030   9.504   1.985
   74   1HB   GLN   9          2HB       GLN   9   7.614  11.865   2.962
   75   2HB   GLN   9          3HB       GLN   9   5.913  11.654   3.360
   76   1HG   GLN   9          2HG       GLN   9   6.434   9.501   4.396
   77   2HG   GLN   9          3HG       GLN   9   8.139   9.740   4.014
   78   1HE2  GLN   9          1HE2      GLN   9   9.196  10.211   5.786
   79   2HE2  GLN   9          2HE2      GLN   9   8.683  11.310   7.023
   80    H    ARG  10           HN       ARG  10   7.519  12.045   0.088
   81    HA   ARG  10           HA       ARG  10   5.182  13.403  -0.673
   82   1HB   ARG  10          2HB       ARG  10   7.357  14.341  -1.024
   83   2HB   ARG  10          3HB       ARG  10   7.836  12.971  -2.011
   84   1HG   ARG  10          2HG       ARG  10   7.403  14.835  -3.390
   85   2HG   ARG  10          3HG       ARG  10   6.180  13.614  -3.670
   86   1HD   ARG  10          2HD       ARG  10   5.810  16.045  -1.923
   87   2HD   ARG  10          3HD       ARG  10   5.308  15.952  -3.607
   88    HE   ARG  10           HE       ARG  10   4.161  13.815  -2.188
   89   1HH1  ARG  10          2HH1      ARG  10   3.901  17.283  -2.571
   90   2HH1  ARG  10          1HH1      ARG  10   2.251  17.350  -2.024
   91   1HH2  ARG  10          2HH2      ARG  10   1.989  13.903  -1.469
   92   2HH2  ARG  10          1HH2      ARG  10   1.168  15.431  -1.370
   93    H    GLN  11           HN       GLN  11   6.814  10.499  -1.824
   94    HA   GLN  11           HA       GLN  11   5.170  10.089  -4.129
   95   1HB   GLN  11          2HB       GLN  11   7.376   9.048  -3.938
   96   2HB   GLN  11          3HB       GLN  11   6.839   8.132  -2.538
   97   1HG   GLN  11          2HG       GLN  11   5.197   6.974  -3.946
   98   2HG   GLN  11          3HG       GLN  11   5.788   7.867  -5.345
   99   1HE2  GLN  11          1HE2      GLN  11   7.110   6.748  -6.571
  100   2HE2  GLN  11          2HE2      GLN  11   8.203   5.516  -6.033
  101    H    ILE  12           HN       ILE  12   5.112   8.801  -0.829
  102    HA   ILE  12           HA       ILE  12   2.919   7.091  -1.288
  103    HB   ILE  12           HB       ILE  12   3.785   8.314   1.339
  104   1HG1  ILE  12          2HG1      ILE  12   4.635   5.756  -0.044
  105   2HG1  ILE  12          3HG1      ILE  12   5.653   7.139   0.357
  106   1HG2  ILE  12          1HG2      ILE  12   2.751   6.136   2.201
  107   2HG2  ILE  12          2HG2      ILE  12   1.661   7.429   1.699
  108   3HG2  ILE  12          3HG2      ILE  12   1.950   6.054   0.631
  109   1HD1  ILE  12          1HD1      ILE  12   6.036   5.306   1.881
  110   2HD1  ILE  12          2HD1      ILE  12   5.344   6.691   2.724
  111   3HD1  ILE  12          3HD1      ILE  12   4.330   5.302   2.331
  112    H    ALA  13           HN       ALA  13   3.136  10.328   0.073
  113    HA   ALA  13           HA       ALA  13   0.432  10.657   0.695
  114   1HB   ALA  13          1HB       ALA  13   1.032  12.701   1.382
  115   2HB   ALA  13          2HB       ALA  13   2.672  12.133   1.076
  116   3HB   ALA  13          3HB       ALA  13   1.830  13.091  -0.140
  117    H    GLU  14           HN       GLU  14   2.180  11.303  -2.337
  118    HA   GLU  14           HA       GLU  14   0.076  12.747  -3.533
  119   1HB   GLU  14          2HB       GLU  14   1.224  12.484  -5.650
  120   2HB   GLU  14          3HB       GLU  14   2.366  12.895  -4.379
  121   1HG   GLU  14          2HG       GLU  14   3.107  10.612  -4.250
  122   2HG   GLU  14          3HG       GLU  14   1.883  10.127  -5.422
  123    H    ASN  15           HN       ASN  15   0.753   9.298  -3.409
  124    HA   ASN  15           HA       ASN  15  -1.258   8.664  -5.378
  125   1HB   ASN  15          2HB       ASN  15   0.322   6.966  -3.445
  126   2HB   ASN  15          3HB       ASN  15  -0.878   6.301  -4.542
  127   1HD2  ASN  15          1HD2      ASN  15   2.329   6.981  -4.166
  128   2HD2  ASN  15          2HD2      ASN  15   2.795   6.931  -5.825
  129    HA   PRO  16           HA       PRO  16  -4.813   9.166  -2.793
  130   1HB   PRO  16          2HB       PRO  16  -5.946   7.192  -4.717
  131   2HB   PRO  16          3HB       PRO  16  -6.572   8.779  -4.251
  132   1HG   PRO  16          2HG       PRO  16  -5.425   8.445  -6.615
  133   2HG   PRO  16          3HG       PRO  16  -5.085   9.905  -5.662
  134   1HD   PRO  16          2HD       PRO  16  -3.408   7.450  -6.035
  135   2HD   PRO  16          3HD       PRO  16  -2.917   9.155  -6.008
  136    H    ILE  17           HN       ILE  17  -4.016   5.986  -4.033
  137    HA   ILE  17           HA       ILE  17  -4.380   4.833  -1.364
  138    HB   ILE  17           HB       ILE  17  -5.393   3.477  -3.882
  139   1HG1  ILE  17          2HG1      ILE  17  -6.870   5.376  -3.409
  140   2HG1  ILE  17          3HG1      ILE  17  -7.685   3.854  -3.080
  141   1HG2  ILE  17          1HG2      ILE  17  -5.813   1.662  -2.645
  142   2HG2  ILE  17          2HG2      ILE  17  -4.625   2.358  -1.544
  143   3HG2  ILE  17          3HG2      ILE  17  -6.349   2.601  -1.253
  144   1HD1  ILE  17          1HD1      ILE  17  -8.122   4.488  -1.010
  145   2HD1  ILE  17          2HD1      ILE  17  -6.419   4.829  -0.701
  146   3HD1  ILE  17          3HD1      ILE  17  -7.453   6.077  -1.405
  147    H    LEU  18           HN       LEU  18  -2.525   3.706  -0.938
  148    HA   LEU  18           HA       LEU  18  -0.933   2.914  -3.279
  149   1HB   LEU  18          2HB       LEU  18  -0.259   5.095  -2.286
  150   2HB   LEU  18          3HB       LEU  18   0.130   4.249  -0.803
  151    HG   LEU  18           HG       LEU  18   1.841   2.947  -1.993
  152   1HD1  LEU  18          1HD1      LEU  18   0.657   3.106  -4.218
  153   2HD1  LEU  18          2HD1      LEU  18   1.316   4.737  -4.353
  154   3HD1  LEU  18          3HD1      LEU  18   2.403   3.353  -4.253
  155   1HD2  LEU  18          1HD2      LEU  18   2.150   5.912  -2.472
  156   2HD2  LEU  18          2HD2      LEU  18   2.329   5.144  -0.893
  157   3HD2  LEU  18          3HD2      LEU  18   3.433   4.732  -2.207
  158    H    LEU  19           HN       LEU  19   0.272   1.136  -3.136
  159    HA   LEU  19           HA       LEU  19   0.150  -0.453  -0.667
  160   1HB   LEU  19          2HB       LEU  19  -1.619  -1.313  -1.936
  161   2HB   LEU  19          3HB       LEU  19  -0.766  -1.089  -3.449
  162    HG   LEU  19           HG       LEU  19   0.696  -2.969  -2.929
  163   1HD1  LEU  19          1HD1      LEU  19  -0.200  -2.584  -0.290
  164   2HD1  LEU  19          2HD1      LEU  19  -0.850  -4.145  -0.797
  165   3HD1  LEU  19          3HD1      LEU  19   0.885  -3.843  -0.881
  166   1HD2  LEU  19          1HD2      LEU  19  -2.232  -3.640  -2.666
  167   2HD2  LEU  19          2HD2      LEU  19  -1.380  -3.301  -4.172
  168   3HD2  LEU  19          3HD2      LEU  19  -0.953  -4.722  -3.219
  169    H    TYR  20           HN       TYR  20   2.192  -1.021  -0.111
  170    HA   TYR  20           HA       TYR  20   4.171  -1.163  -2.269
  171   1HB   TYR  20          2HB       TYR  20   4.410  -0.890   0.708
  172   2HB   TYR  20          3HB       TYR  20   5.782  -1.426  -0.259
  173    HD1  TYR  20           1HD      TYR  20   3.199   1.290  -0.548
  174    HD2  TYR  20           2HD      TYR  20   7.311   0.208  -0.660
  175    HE1  TYR  20           1HE      TYR  20   3.801   3.612  -1.060
  176    HE2  TYR  20           2HE      TYR  20   7.925   2.528  -1.176
  177    HH   TYR  20           HH       TYR  20   6.803   4.551  -2.209
  178    H    MET  21           HN       MET  21   4.646  -3.039  -3.110
  179    HA   MET  21           HA       MET  21   4.900  -5.357  -1.405
  180   1HB   MET  21          2HB       MET  21   3.582  -6.736  -3.021
  181   2HB   MET  21          3HB       MET  21   2.649  -5.632  -2.033
  182   1HG   MET  21          2HG       MET  21   2.523  -4.086  -3.943
  183   2HG   MET  21          3HG       MET  21   3.388  -5.273  -4.927
  184   1HE   MET  21          1HE       MET  21   0.027  -5.773  -6.536
  185   2HE   MET  21          2HE       MET  21   0.011  -4.259  -5.631
  186   3HE   MET  21          3HE       MET  21   1.473  -4.767  -6.476
  187    H    LYS  22           HN       LYS  22   5.394  -7.323  -3.333
  188    HA   LYS  22           HA       LYS  22   7.813  -6.193  -4.553
  189   1HB   LYS  22          2HB       LYS  22   8.105  -8.202  -3.128
  190   2HB   LYS  22          3HB       LYS  22   7.055  -9.103  -4.216
  191   1HG   LYS  22          2HG       LYS  22   8.622  -8.829  -6.030
  192   2HG   LYS  22          3HG       LYS  22   9.650  -7.807  -5.025
  193   1HD   LYS  22          2HD       LYS  22  10.041  -9.702  -3.517
  194   2HD   LYS  22          3HD       LYS  22   9.023 -10.719  -4.541
  195   1HE   LYS  22          2HE       LYS  22  10.551 -10.371  -6.412
  196   2HE   LYS  22          3HE       LYS  22  11.560  -9.333  -5.407
  197   1HZ   LYS  22          1HZ       LYS  22  12.589 -11.093  -4.579
  198   2HZ   LYS  22          2HZ       LYS  22  11.787 -12.051  -5.724
  199   3HZ   LYS  22          3HZ       LYS  22  11.129 -11.859  -4.170
  200    H    GLY  23           HN       GLY  23   7.664  -5.588  -6.539
  201   1HA   GLY  23          1HA       GLY  23   5.513  -6.640  -8.212
  202   2HA   GLY  23          2HA       GLY  23   6.470  -5.201  -8.530
  203    H    SER  24           HN       SER  24   6.774  -8.766  -8.377
  204    HA   SER  24           HA       SER  24   8.977  -8.668 -10.274
  205   1HB   SER  24          2HB       SER  24   8.923 -11.132 -10.189
  206   2HB   SER  24          3HB       SER  24   9.017 -10.425  -8.579
  207    HG   SER  24           HG       SER  24   6.460 -10.679  -9.091
  208    HA   PRO  25           HA       PRO  25   6.670  -8.444 -13.999
  209   1HB   PRO  25          2HB       PRO  25   8.419 -10.667 -14.955
  210   2HB   PRO  25          3HB       PRO  25   8.048  -9.118 -15.722
  211   1HG   PRO  25          2HG       PRO  25  10.386  -9.492 -14.518
  212   2HG   PRO  25          3HG       PRO  25   9.529  -7.945 -14.372
  213   1HD   PRO  25          2HD       PRO  25   9.823 -10.145 -12.380
  214   2HD   PRO  25          3HD       PRO  25   9.744  -8.390 -12.124
  215    H    LYS  26           HN       LYS  26   7.456 -11.734 -12.924
  216    HA   LYS  26           HA       LYS  26   5.298 -13.025 -14.229
  217   1HB   LYS  26          2HB       LYS  26   5.785 -14.924 -12.759
  218   2HB   LYS  26          3HB       LYS  26   7.252 -14.264 -13.468
  219   1HG   LYS  26          2HG       LYS  26   7.714 -13.081 -11.360
  220   2HG   LYS  26          3HG       LYS  26   6.266 -13.806 -10.659
  221   1HD   LYS  26          2HD       LYS  26   7.215 -16.039 -11.041
  222   2HD   LYS  26          3HD       LYS  26   8.668 -15.298 -11.714
  223   1HE   LYS  26          2HE       LYS  26   9.052 -15.943  -9.413
  224   2HE   LYS  26          3HE       LYS  26   9.077 -14.188  -9.562
  225   1HZ   LYS  26          1HZ       LYS  26   6.479 -15.286  -8.935
  226   2HZ   LYS  26          2HZ       LYS  26   7.304 -13.982  -8.238
  227   3HZ   LYS  26          3HZ       LYS  26   7.650 -15.562  -7.738
  228    H    LEU  27           HN       LEU  27   5.583 -11.388 -11.150
  229    HA   LEU  27           HA       LEU  27   2.700 -11.427 -10.781
  230   1HB   LEU  27          2HB       LEU  27   3.521 -13.565  -9.775
  231   2HB   LEU  27          3HB       LEU  27   4.577 -12.611  -8.737
  232    HG   LEU  27           HG       LEU  27   2.584 -11.567  -7.705
  233   1HD1  LEU  27          1HD1      LEU  27   0.723 -13.582  -8.701
  234   2HD1  LEU  27          2HD1      LEU  27   0.494 -11.854  -8.437
  235   3HD1  LEU  27          3HD1      LEU  27   1.246 -12.427  -9.925
  236   1HD2  LEU  27          1HD2      LEU  27   3.674 -13.989  -7.176
  237   2HD2  LEU  27          2HD2      LEU  27   2.442 -13.211  -6.184
  238   3HD2  LEU  27          3HD2      LEU  27   1.976 -14.419  -7.381
  239    HA   PRO  28           HA       PRO  28   4.328  -7.518  -9.216
  240   1HB   PRO  28          2HB       PRO  28   1.525  -6.753  -8.939
  241   2HB   PRO  28          3HB       PRO  28   2.770  -6.070  -9.981
  242   1HG   PRO  28          2HG       PRO  28   0.697  -7.488 -10.951
  243   2HG   PRO  28          3HG       PRO  28   2.301  -7.501 -11.707
  244   1HD   PRO  28          2HD       PRO  28   1.048  -9.526  -9.893
  245   2HD   PRO  28          3HD       PRO  28   2.007  -9.760 -11.365
  246    H    SER  29           HN       SER  29   3.619  -9.899  -7.472
  247    HA   SER  29           HA       SER  29   3.677  -8.487  -5.008
  248   1HB   SER  29          2HB       SER  29   1.639  -9.582  -4.092
  249   2HB   SER  29          3HB       SER  29   1.343  -8.360  -5.325
  250    HG   SER  29           HG       SER  29   1.306 -11.181  -5.649
  251    H    CYS  30           HN       CYS  30   5.559 -10.049  -5.956
  252    HA   CYS  30           HA       CYS  30   5.353 -12.811  -5.309
  253   1HB   CYS  30          2HB       CYS  30   6.903 -11.842  -6.998
  254   2HB   CYS  30          3HB       CYS  30   7.820 -11.140  -5.671
  255    HG   CYS  30           HG       CYS  30   7.333 -14.504  -5.785
  256    H    GLY  31           HN       GLY  31   4.464 -11.969  -3.045
  257   1HA   GLY  31          1HA       GLY  31   6.339 -12.877  -1.110
  258   2HA   GLY  31          2HA       GLY  31   6.168 -11.130  -1.013
  259    H    PHE  32           HN       PHE  32   5.123 -10.933   0.911
  260    HA   PHE  32           HA       PHE  32   2.909 -12.594   1.642
  261   1HB   PHE  32          2HB       PHE  32   4.088 -10.125   2.871
  262   2HB   PHE  32          3HB       PHE  32   2.585 -10.816   3.455
  263    HD1  PHE  32           1HD      PHE  32   2.538 -12.645   4.847
  264    HD2  PHE  32           2HD      PHE  32   6.180 -11.497   2.970
  265    HE1  PHE  32           1HE      PHE  32   3.786 -14.167   6.340
  266    HE2  PHE  32           2HE      PHE  32   7.433 -13.031   4.442
  267    HZ   PHE  32           HZ       PHE  32   6.233 -14.364   6.130
  268    H    SER  33           HN       SER  33   3.248  -9.809  -0.243
  269    HA   SER  33           HA       SER  33   0.770  -8.607   0.333
  270   1HB   SER  33          2HB       SER  33   1.157  -7.459  -1.836
  271   2HB   SER  33          3HB       SER  33   2.472  -7.317  -0.674
  272    HG   SER  33           HG       SER  33   2.509  -8.339  -3.153
  273    H    ALA  34           HN       ALA  34   1.588 -11.367  -1.506
  274    HA   ALA  34           HA       ALA  34  -0.049 -11.383  -3.650
  275   1HB   ALA  34          1HB       ALA  34   0.482 -13.737  -1.852
  276   2HB   ALA  34          2HB       ALA  34  -0.058 -13.817  -3.529
  277   3HB   ALA  34          3HB       ALA  34   1.532 -13.158  -3.144
  278    H    GLN  35           HN       GLN  35  -1.066 -12.222  -0.346
  279    HA   GLN  35           HA       GLN  35  -3.758 -12.796  -1.196
  280   1HB   GLN  35          2HB       GLN  35  -2.946 -12.186   1.665
  281   2HB   GLN  35          3HB       GLN  35  -4.355 -13.065   1.107
  282   1HG   GLN  35          2HG       GLN  35  -2.952 -14.715   1.926
  283   2HG   GLN  35          3HG       GLN  35  -2.707 -14.785   0.182
  284   1HE2  GLN  35          1HE2      GLN  35  -1.345 -12.047   1.543
  285   2HE2  GLN  35          2HE2      GLN  35   0.295 -12.566   1.622
  286    H    ALA  36           HN       ALA  36  -2.043 -10.073   0.194
  287    HA   ALA  36           HA       ALA  36  -4.207  -8.474   0.900
  288   1HB   ALA  36          1HB       ALA  36  -1.640  -8.282   1.380
  289   2HB   ALA  36          2HB       ALA  36  -1.674  -7.226  -0.032
  290   3HB   ALA  36          3HB       ALA  36  -2.671  -6.850   1.372
  291    H    VAL  37           HN       VAL  37  -2.308  -8.545  -2.079
  292    HA   VAL  37           HA       VAL  37  -3.531  -6.387  -3.382
  293    HB   VAL  37           HB       VAL  37  -1.467  -7.450  -4.170
  294   1HG1  VAL  37          1HG1      VAL  37  -3.120  -9.825  -4.269
  295   2HG1  VAL  37          2HG1      VAL  37  -2.216  -9.560  -5.760
  296   3HG1  VAL  37          3HG1      VAL  37  -1.365  -9.661  -4.219
  297   1HG2  VAL  37          1HG2      VAL  37  -1.805  -7.006  -6.408
  298   2HG2  VAL  37          2HG2      VAL  37  -3.383  -7.804  -6.436
  299   3HG2  VAL  37          3HG2      VAL  37  -3.209  -6.212  -5.689
  300    H    GLN  38           HN       GLN  38  -4.425  -9.794  -3.153
  301    HA   GLN  38           HA       GLN  38  -6.595  -9.657  -4.968
  302   1HB   GLN  38          2HB       GLN  38  -6.370 -11.583  -2.657
  303   2HB   GLN  38          3HB       GLN  38  -7.247 -11.809  -4.161
  304   1HG   GLN  38          2HG       GLN  38  -4.262 -11.748  -3.795
  305   2HG   GLN  38          3HG       GLN  38  -5.259 -13.152  -4.151
  306   1HE2  GLN  38          1HE2      GLN  38  -6.668 -10.908  -6.011
  307   2HE2  GLN  38          2HE2      GLN  38  -5.700 -11.013  -7.440
  308    H    ALA  39           HN       ALA  39  -6.331  -9.351  -1.447
  309    HA   ALA  39           HA       ALA  39  -9.063  -9.050  -0.842
  310   1HB   ALA  39          1HB       ALA  39  -7.684  -9.364   1.006
  311   2HB   ALA  39          2HB       ALA  39  -6.551  -8.112   0.496
  312   3HB   ALA  39          3HB       ALA  39  -8.139  -7.662   1.123
  313    H    LEU  40           HN       LEU  40  -6.574  -6.635  -1.598
  314    HA   LEU  40           HA       LEU  40  -8.157  -4.337  -1.322
  315   1HB   LEU  40          2HB       LEU  40  -5.563  -4.987  -2.238
  316   2HB   LEU  40          3HB       LEU  40  -6.334  -4.027  -3.478
  317    HG   LEU  40           HG       LEU  40  -5.875  -3.235  -0.607
  318   1HD1  LEU  40          1HD1      LEU  40  -4.887  -1.311  -2.398
  319   2HD1  LEU  40          2HD1      LEU  40  -3.966  -2.405  -1.361
  320   3HD1  LEU  40          3HD1      LEU  40  -4.362  -2.884  -3.012
  321   1HD2  LEU  40          1HD2      LEU  40  -7.531  -1.769  -0.744
  322   2HD2  LEU  40          2HD2      LEU  40  -6.809  -1.070  -2.197
  323   3HD2  LEU  40          3HD2      LEU  40  -7.952  -2.408  -2.336
  324    H    ALA  41           HN       ALA  41  -7.284  -6.166  -4.217
  325    HA   ALA  41           HA       ALA  41  -8.826  -4.590  -5.960
  326   1HB   ALA  41          1HB       ALA  41  -7.314  -7.099  -6.133
  327   2HB   ALA  41          2HB       ALA  41  -8.680  -7.002  -7.245
  328   3HB   ALA  41          3HB       ALA  41  -7.430  -5.758  -7.274
  329    H    ALA  42           HN       ALA  42  -9.550  -7.217  -3.846
  330    HA   ALA  42           HA       ALA  42 -12.032  -8.067  -5.038
  331   1HB   ALA  42          1HB       ALA  42 -11.580  -8.460  -2.128
  332   2HB   ALA  42          2HB       ALA  42 -12.194  -9.584  -3.342
  333   3HB   ALA  42          3HB       ALA  42 -10.466  -9.238  -3.254
  334    H    CYS  43           HN       CYS  43 -11.234  -6.033  -2.269
  335    HA   CYS  43           HA       CYS  43 -13.910  -5.063  -1.820
  336   1HB   CYS  43          2HB       CYS  43 -12.895  -3.562  -0.283
  337   2HB   CYS  43          3HB       CYS  43 -12.190  -5.142  -0.074
  338    HG   CYS  43           HG       CYS  43 -10.721  -2.401  -1.475
  339    H    GLY  44           HN       GLY  44 -11.632  -4.799  -3.989
  340   1HA   GLY  44          1HA       GLY  44 -10.464  -2.956  -4.851
  341   2HA   GLY  44          2HA       GLY  44 -11.661  -3.446  -6.017
  342    H    GLU  45           HN       GLU  45 -10.178  -1.138  -4.664
  343    HA   GLU  45           HA       GLU  45 -11.946   0.852  -5.778
  344   1HB   GLU  45          2HB       GLU  45 -10.243   1.488  -3.356
  345   2HB   GLU  45          3HB       GLU  45 -11.480   2.490  -4.099
  346   1HG   GLU  45          2HG       GLU  45 -12.634   1.812  -2.286
  347   2HG   GLU  45          3HG       GLU  45 -13.026   0.474  -3.361
  348    H    ARG  46           HN       ARG  46 -10.650   2.130  -7.159
  349    HA   ARG  46           HA       ARG  46  -8.384   0.893  -8.071
  350   1HB   ARG  46          2HB       ARG  46  -9.144   3.784  -8.425
  351   2HB   ARG  46          3HB       ARG  46  -7.901   2.953  -9.360
  352   1HG   ARG  46          2HG       ARG  46 -10.801   2.202  -9.228
  353   2HG   ARG  46          3HG       ARG  46 -10.002   3.034 -10.553
  354   1HD   ARG  46          2HD       ARG  46  -8.608   1.120 -10.983
  355   2HD   ARG  46          3HD       ARG  46  -9.265   0.290  -9.573
  356    HE   ARG  46           HE       ARG  46 -11.398   0.946 -11.246
  357   1HH1  ARG  46          2HH1      ARG  46  -8.555  -1.103 -11.309
  358   2HH1  ARG  46          1HH1      ARG  46  -9.289  -2.313 -12.317
  359   1HH2  ARG  46          2HH2      ARG  46 -12.370  -0.623 -12.579
  360   2HH2  ARG  46          1HH2      ARG  46 -11.473  -2.045 -13.028
  361    H    PHE  47           HN       PHE  47  -6.374   0.807  -7.590
  362    HA   PHE  47           HA       PHE  47  -5.330   2.614  -5.523
  363   1HB   PHE  47          2HB       PHE  47  -4.743   0.800  -4.123
  364   2HB   PHE  47          3HB       PHE  47  -6.398   0.502  -4.624
  365    HD1  PHE  47           1HD      PHE  47  -7.001  -1.545  -5.714
  366    HD2  PHE  47           2HD      PHE  47  -2.867  -0.473  -5.219
  367    HE1  PHE  47           1HE      PHE  47  -6.311  -3.837  -6.285
  368    HE2  PHE  47           2HE      PHE  47  -2.212  -2.774  -5.805
  369    HZ   PHE  47           HZ       PHE  47  -3.932  -4.446  -6.351
  370    H    ALA  48           HN       ALA  48  -3.131   2.772  -5.343
  371    HA   ALA  48           HA       ALA  48  -1.644   1.825  -7.681
  372   1HB   ALA  48          1HB       ALA  48  -0.965   4.097  -5.821
  373   2HB   ALA  48          2HB       ALA  48  -0.033   3.596  -7.231
  374   3HB   ALA  48          3HB       ALA  48  -1.654   4.256  -7.436
  375    H    TYR  49           HN       TYR  49   0.473   0.984  -7.377
  376    HA   TYR  49           HA       TYR  49   0.991   0.037  -4.638
  377   1HB   TYR  49          2HB       TYR  49   1.146  -2.206  -5.294
  378   2HB   TYR  49          3HB       TYR  49  -0.226  -1.645  -6.243
  379    HD1  TYR  49           1HD      TYR  49   3.337  -2.456  -6.324
  380    HD2  TYR  49           2HD      TYR  49  -0.132  -1.655  -8.635
  381    HE1  TYR  49           1HE      TYR  49   4.550  -3.132  -8.342
  382    HE2  TYR  49           2HE      TYR  49   1.056  -2.362 -10.673
  383    HH   TYR  49           HH       TYR  49   3.959  -4.040 -10.629
  384    H    VAL  50           HN       VAL  50   3.249  -0.492  -4.295
  385    HA   VAL  50           HA       VAL  50   5.074   0.465  -6.402
  386    HB   VAL  50           HB       VAL  50   5.383   0.997  -3.424
  387   1HG1  VAL  50          1HG1      VAL  50   7.463   0.655  -4.863
  388   2HG1  VAL  50          2HG1      VAL  50   7.034   2.186  -5.628
  389   3HG1  VAL  50          3HG1      VAL  50   7.368   2.128  -3.897
  390   1HG2  VAL  50          1HG2      VAL  50   4.286   2.905  -3.672
  391   2HG2  VAL  50          2HG2      VAL  50   5.271   3.356  -5.064
  392   3HG2  VAL  50          3HG2      VAL  50   3.819   2.378  -5.288
  393    H    ASP  51           HN       ASP  51   6.720  -0.873  -6.824
  394    HA   ASP  51           HA       ASP  51   6.927  -3.331  -5.348
  395   1HB   ASP  51          2HB       ASP  51   8.723  -3.911  -6.960
  396   2HB   ASP  51          3HB       ASP  51   7.206  -3.485  -7.733
  397    H    ILE  52           HN       ILE  52   8.345  -3.845  -3.833
  398    HA   ILE  52           HA       ILE  52  10.625  -2.130  -3.321
  399    HB   ILE  52           HB       ILE  52   9.799  -2.275  -0.778
  400   1HG1  ILE  52          2HG1      ILE  52   7.399  -1.446  -0.825
  401   2HG1  ILE  52          3HG1      ILE  52   7.329  -2.068  -2.470
  402   1HG2  ILE  52          1HG2      ILE  52  10.241  -0.320  -2.677
  403   2HG2  ILE  52          2HG2      ILE  52   8.660   0.066  -1.991
  404   3HG2  ILE  52          3HG2      ILE  52  10.063  -0.101  -0.932
  405   1HD1  ILE  52          1HD1      ILE  52   6.981  -4.120  -1.756
  406   2HD1  ILE  52          2HD1      ILE  52   8.343  -4.038  -0.638
  407   3HD1  ILE  52          3HD1      ILE  52   6.761  -3.428  -0.145
  408    H    LEU  53           HN       LEU  53   8.920  -5.137  -2.468
  409    HA   LEU  53           HA       LEU  53  11.144  -6.166  -0.994
  410   1HB   LEU  53          2HB       LEU  53   8.986  -7.715  -2.430
  411   2HB   LEU  53          3HB       LEU  53  10.196  -8.416  -1.381
  412    HG   LEU  53           HG       LEU  53   8.539  -8.304   0.129
  413   1HD1  LEU  53          1HD1      LEU  53   8.612  -6.274   1.481
  414   2HD1  LEU  53          2HD1      LEU  53  10.220  -6.818   0.997
  415   3HD1  LEU  53          3HD1      LEU  53   9.466  -5.455   0.170
  416   1HD2  LEU  53          1HD2      LEU  53   6.547  -7.612  -0.518
  417   2HD2  LEU  53          2HD2      LEU  53   7.056  -5.941  -0.281
  418   3HD2  LEU  53          3HD2      LEU  53   7.269  -6.714  -1.853
  419    H    GLN  54           HN       GLN  54  10.801  -5.342  -4.142
  420    HA   GLN  54           HA       GLN  54  12.686  -7.324  -5.148
  421   1HB   GLN  54          2HB       GLN  54  10.750  -6.973  -6.557
  422   2HB   GLN  54          3HB       GLN  54  11.013  -5.237  -6.563
  423   1HG   GLN  54          2HG       GLN  54  13.129  -7.027  -7.649
  424   2HG   GLN  54          3HG       GLN  54  11.687  -6.709  -8.609
  425   1HE2  GLN  54          1HE2      GLN  54  11.705  -3.991  -7.113
  426   2HE2  GLN  54          2HE2      GLN  54  12.816  -3.043  -8.031
  427    H    ASN  55           HN       ASN  55  12.360  -3.805  -4.683
  428    HA   ASN  55           HA       ASN  55  15.095  -3.270  -5.490
  429   1HB   ASN  55          2HB       ASN  55  13.148  -1.512  -3.974
  430   2HB   ASN  55          3HB       ASN  55  14.680  -0.993  -4.671
  431   1HD2  ASN  55          1HD2      ASN  55  11.478  -0.941  -5.100
  432   2HD2  ASN  55          2HD2      ASN  55  11.382  -0.824  -6.823
  433    HA   PRO  56           HA       PRO  56  16.713  -4.581  -1.529
  434   1HB   PRO  56          2HB       PRO  56  19.238  -3.578  -1.901
  435   2HB   PRO  56          3HB       PRO  56  18.684  -5.128  -2.539
  436   1HG   PRO  56          2HG       PRO  56  18.924  -2.488  -3.920
  437   2HG   PRO  56          3HG       PRO  56  19.317  -4.109  -4.522
  438   1HD   PRO  56          2HD       PRO  56  17.044  -2.826  -5.210
  439   2HD   PRO  56          3HD       PRO  56  17.116  -4.591  -5.024
  440    H    ASP  57           HN       ASP  57  17.500  -1.345  -2.781
  441    HA   ASP  57           HA       ASP  57  18.164  -0.254  -0.261
  442   1HB   ASP  57          2HB       ASP  57  17.319   1.163  -2.795
  443   2HB   ASP  57          3HB       ASP  57  18.068   1.937  -1.406
  444    H    ILE  58           HN       ILE  58  15.330   0.360  -2.302
  445    HA   ILE  58           HA       ILE  58  14.004   2.038  -0.515
  446    HB   ILE  58           HB       ILE  58  12.657   0.280  -2.572
  447   1HG1  ILE  58          2HG1      ILE  58  13.961   2.993  -2.920
  448   2HG1  ILE  58          3HG1      ILE  58  14.577   1.475  -3.564
  449   1HG2  ILE  58          1HG2      ILE  58  10.927   1.867  -2.579
  450   2HG2  ILE  58          2HG2      ILE  58  11.310   1.644  -0.873
  451   3HG2  ILE  58          3HG2      ILE  58  11.905   3.064  -1.732
  452   1HD1  ILE  58          1HD1      ILE  58  12.019   1.567  -4.555
  453   2HD1  ILE  58          2HD1      ILE  58  12.534   3.253  -4.607
  454   3HD1  ILE  58          3HD1      ILE  58  13.487   2.013  -5.423
  455    H    ARG  59           HN       ARG  59  13.901  -1.443  -0.898
  456    HA   ARG  59           HA       ARG  59  11.772  -2.158   0.737
  457   1HB   ARG  59          2HB       ARG  59  13.057  -3.691  -0.695
  458   2HB   ARG  59          3HB       ARG  59  14.437  -3.532   0.374
  459   1HG   ARG  59          2HG       ARG  59  13.266  -4.671   2.139
  460   2HG   ARG  59          3HG       ARG  59  11.785  -4.711   1.173
  461   1HD   ARG  59          2HD       ARG  59  12.924  -6.067  -0.517
  462   2HD   ARG  59          3HD       ARG  59  14.400  -6.024   0.439
  463    HE   ARG  59           HE       ARG  59  12.447  -7.093   2.078
  464   1HH1  ARG  59          2HH1      ARG  59  13.948  -7.877  -0.976
  465   2HH1  ARG  59          1HH1      ARG  59  13.802  -9.595  -0.766
  466   1HH2  ARG  59          2HH2      ARG  59  12.261  -9.373   2.386
  467   2HH2  ARG  59          1HH2      ARG  59  12.847 -10.443   1.147
  468    H    ALA  60           HN       ALA  60  14.990  -1.074   1.579
  469    HA   ALA  60           HA       ALA  60  14.732  -1.937   4.305
  470   1HB   ALA  60          1HB       ALA  60  16.869  -0.966   2.574
  471   2HB   ALA  60          2HB       ALA  60  17.001  -0.445   4.254
  472   3HB   ALA  60          3HB       ALA  60  16.901  -2.163   3.870
  473    H    GLU  61           HN       GLU  61  14.976   1.267   2.729
  474    HA   GLU  61           HA       GLU  61  15.319   2.589   5.181
  475   1HB   GLU  61          2HB       GLU  61  14.531   3.708   2.487
  476   2HB   GLU  61          3HB       GLU  61  15.091   4.668   3.848
  477   1HG   GLU  61          2HG       GLU  61  17.248   3.606   3.779
  478   2HG   GLU  61          3HG       GLU  61  16.703   2.503   2.515
  479    H    LEU  62           HN       LEU  62  12.456   3.044   3.001
  480    HA   LEU  62           HA       LEU  62  11.233   4.689   4.918
  481   1HB   LEU  62          2HB       LEU  62   9.235   4.739   3.610
  482   2HB   LEU  62          3HB       LEU  62  10.634   4.891   2.557
  483    HG   LEU  62           HG       LEU  62   9.351   2.206   2.956
  484   1HD1  LEU  62          1HD1      LEU  62   7.895   2.648   1.054
  485   2HD1  LEU  62          2HD1      LEU  62   7.522   3.733   2.394
  486   3HD1  LEU  62          3HD1      LEU  62   8.444   4.325   1.013
  487   1HD2  LEU  62          1HD2      LEU  62  10.925   1.685   1.499
  488   2HD2  LEU  62          2HD2      LEU  62  10.139   2.736   0.322
  489   3HD2  LEU  62          3HD2      LEU  62  11.410   3.375   1.365
  490    HA   PRO  63           HA       PRO  63   8.401   0.756   5.877
  491   1HB   PRO  63          2HB       PRO  63  10.133  -1.275   6.668
  492   2HB   PRO  63          3HB       PRO  63   9.220  -1.244   5.157
  493   1HG   PRO  63          2HG       PRO  63  12.052  -0.446   5.675
  494   2HG   PRO  63          3HG       PRO  63  11.369  -1.346   4.305
  495   1HD   PRO  63          2HD       PRO  63  11.978   1.216   4.035
  496   2HD   PRO  63          3HD       PRO  63  10.469   0.583   3.337
  497    H    LYS  64           HN       LYS  64  11.659   1.171   7.106
  498    HA   LYS  64           HA       LYS  64  11.316   0.854   9.824
  499   1HB   LYS  64          2HB       LYS  64  13.091   2.691   8.238
  500   2HB   LYS  64          3HB       LYS  64  13.280   2.376   9.962
  501   1HG   LYS  64          2HG       LYS  64  13.818   0.133   9.604
  502   2HG   LYS  64          3HG       LYS  64  13.229   0.161   7.946
  503   1HD   LYS  64          2HD       LYS  64  15.690   0.167   8.117
  504   2HD   LYS  64          3HD       LYS  64  15.034   1.560   7.266
  505   1HE   LYS  64          2HE       LYS  64  16.820   2.254   8.715
  506   2HE   LYS  64          3HE       LYS  64  15.289   2.900   9.296
  507   1HZ   LYS  64          1HZ       LYS  64  15.204   1.208  10.982
  508   2HZ   LYS  64          2HZ       LYS  64  16.701   1.999  11.086
  509   3HZ   LYS  64          3HZ       LYS  64  16.603   0.463  10.378
  510    H    TYR  65           HN       TYR  65  10.757   3.653   7.763
  511    HA   TYR  65           HA       TYR  65  10.170   5.433   9.883
  512   1HB   TYR  65          2HB       TYR  65  10.228   6.984   8.273
  513   2HB   TYR  65          3HB       TYR  65  10.654   5.695   7.171
  514    HD1  TYR  65           1HD      TYR  65   7.464   7.064   8.626
  515    HD2  TYR  65           2HD      TYR  65   9.569   5.814   5.131
  516    HE1  TYR  65           1HE      TYR  65   5.525   7.649   7.251
  517    HE2  TYR  65           2HE      TYR  65   7.603   6.399   3.747
  518    HH   TYR  65           HH       TYR  65   4.756   6.679   4.606
  519    H    ALA  66           HN       ALA  66   8.099   3.413   7.748
  520    HA   ALA  66           HA       ALA  66   5.710   4.551   8.829
  521   1HB   ALA  66          1HB       ALA  66   6.066   3.409   6.595
  522   2HB   ALA  66          2HB       ALA  66   5.912   1.889   7.476
  523   3HB   ALA  66          3HB       ALA  66   4.575   3.040   7.462
  524    H    ASN  67           HN       ASN  67   7.053   1.239   9.165
  525    HA   ASN  67           HA       ASN  67   6.812   1.128  11.937
  526   1HB   ASN  67          2HB       ASN  67   4.382   1.121  11.537
  527   2HB   ASN  67          3HB       ASN  67   4.549  -0.285  10.497
  528   1HD2  ASN  67          1HD2      ASN  67   3.678   0.707  13.463
  529   2HD2  ASN  67          2HD2      ASN  67   3.907  -0.762  14.356
  530    H    TRP  68           HN       TRP  68   6.111  -0.986   9.236
  531    HA   TRP  68           HA       TRP  68   7.258  -3.338  10.092
  532   1HB   TRP  68          2HB       TRP  68   6.646  -2.218   7.380
  533   2HB   TRP  68          3HB       TRP  68   7.456  -3.773   7.529
  534    HD1  TRP  68           1HD      TRP  68   5.857  -5.652   7.229
  535    HE1  TRP  68           1HE      TRP  68   3.391  -6.137   7.756
  536    HE3  TRP  68           3HE      TRP  68   4.600  -1.218   9.443
  537    HZ2  TRP  68           2HZ      TRP  68   1.208  -4.837   8.959
  538    HZ3  TRP  68           3HZ      TRP  68   2.297  -0.927  10.254
  539    HH2  TRP  68           2HH      TRP  68   0.636  -2.695  10.013
  540    HA   PRO  69           HA       PRO  69  11.689  -3.005   9.435
  541   1HB   PRO  69          2HB       PRO  69  11.617  -5.794   8.546
  542   2HB   PRO  69          3HB       PRO  69  12.413  -5.100   9.960
  543   1HG   PRO  69          2HG       PRO  69  10.247  -6.697  10.171
  544   2HG   PRO  69          3HG       PRO  69  10.563  -5.369  11.302
  545   1HD   PRO  69          2HD       PRO  69   8.671  -5.471   8.979
  546   2HD   PRO  69          3HD       PRO  69   8.436  -4.768  10.595
  547    H    THR  70           HN       THR  70   9.552  -4.623   7.192
  548    HA   THR  70           HA       THR  70  10.753  -3.235   4.924
  549    HB   THR  70           HB       THR  70  10.690  -5.298   3.534
  550    HG1  THR  70           1HG      THR  70  10.884  -7.153   5.431
  551   1HG2  THR  70          1HG2      THR  70  12.526  -4.970   5.853
  552   2HG2  THR  70          2HG2      THR  70  12.859  -4.855   4.123
  553   3HG2  THR  70          3HG2      THR  70  12.664  -6.437   4.877
  554    H    PHE  71           HN       PHE  71   8.801  -5.576   3.668
  555    HA   PHE  71           HA       PHE  71   6.297  -4.185   4.269
  556   1HB   PHE  71          2HB       PHE  71   7.313  -4.624   1.442
  557   2HB   PHE  71          3HB       PHE  71   5.763  -3.920   1.876
  558    HD1  PHE  71           1HD      PHE  71   9.415  -3.399   2.018
  559    HD2  PHE  71           2HD      PHE  71   5.566  -1.614   2.330
  560    HE1  PHE  71           1HE      PHE  71  10.453  -1.181   2.078
  561    HE2  PHE  71           2HE      PHE  71   6.605   0.616   2.395
  562    HZ   PHE  71           HZ       PHE  71   9.045   0.830   2.245
  563    HA   PRO  72           HA       PRO  72   4.673  -4.774   1.564
  564   1HB   PRO  72          2HB       PRO  72   2.134  -5.689   1.661
  565   2HB   PRO  72          3HB       PRO  72   3.350  -6.349   0.562
  566   1HG   PRO  72          2HG       PRO  72   2.406  -7.401   3.197
  567   2HG   PRO  72          3HG       PRO  72   2.719  -8.279   1.689
  568   1HD   PRO  72          2HD       PRO  72   4.477  -8.229   3.745
  569   2HD   PRO  72          3HD       PRO  72   4.991  -8.346   2.051
  570    H    GLN  73           HN       GLN  73   3.324  -3.031   1.930
  571    HA   GLN  73           HA       GLN  73   1.867  -2.835   4.453
  572   1HB   GLN  73          2HB       GLN  73   3.821  -0.679   3.630
  573   2HB   GLN  73          3HB       GLN  73   2.781  -0.684   5.041
  574   1HG   GLN  73          2HG       GLN  73   4.034  -2.581   5.948
  575   2HG   GLN  73          3HG       GLN  73   5.118  -2.506   4.553
  576   1HE2  GLN  73          1HE2      GLN  73   6.949  -1.500   4.984
  577   2HE2  GLN  73          2HE2      GLN  73   7.152  -0.184   6.085
  578    H    LEU  74           HN       LEU  74   0.029  -1.733   4.181
  579    HA   LEU  74           HA       LEU  74  -0.536  -0.591   1.547
  580   1HB   LEU  74          2HB       LEU  74  -1.951  -2.410   2.403
  581   2HB   LEU  74          3HB       LEU  74  -2.373  -1.436   3.791
  582    HG   LEU  74           HG       LEU  74  -4.154  -1.619   2.048
  583   1HD1  LEU  74          1HD1      LEU  74  -3.312   0.693   3.442
  584   2HD1  LEU  74          2HD1      LEU  74  -3.887   1.205   1.854
  585   3HD1  LEU  74          3HD1      LEU  74  -4.936   0.258   2.913
  586   1HD2  LEU  74          1HD2      LEU  74  -3.753  -1.223  -0.088
  587   2HD2  LEU  74          2HD2      LEU  74  -3.122   0.383   0.278
  588   3HD2  LEU  74          3HD2      LEU  74  -2.048  -1.015   0.316
  589    H    TRP  75           HN       TRP  75  -1.107   1.507   1.254
  590    HA   TRP  75           HA       TRP  75  -1.213   3.229   3.640
  591   1HB   TRP  75          2HB       TRP  75   0.073   3.828   0.975
  592   2HB   TRP  75          3HB       TRP  75  -0.111   4.984   2.286
  593    HD1  TRP  75           1HD      TRP  75   1.744   1.633   1.589
  594    HE1  TRP  75           1HE      TRP  75   3.857   1.610   3.073
  595    HE3  TRP  75           3HE      TRP  75   0.912   5.919   4.206
  596    HZ2  TRP  75           2HZ      TRP  75   4.988   3.221   5.104
  597    HZ3  TRP  75           3HZ      TRP  75   2.543   6.611   5.910
  598    HH2  TRP  75           2HH      TRP  75   4.537   5.284   6.347
  599    H    VAL  76           HN       VAL  76  -2.881   4.574   3.775
  600    HA   VAL  76           HA       VAL  76  -4.692   4.830   1.449
  601    HB   VAL  76           HB       VAL  76  -5.363   5.122   4.387
  602   1HG1  VAL  76          1HG1      VAL  76  -7.711   4.600   3.269
  603   2HG1  VAL  76          2HG1      VAL  76  -7.063   6.240   3.409
  604   3HG1  VAL  76          3HG1      VAL  76  -6.920   5.362   1.885
  605   1HG2  VAL  76          1HG2      VAL  76  -6.646   2.905   3.806
  606   2HG2  VAL  76          2HG2      VAL  76  -5.354   2.743   2.618
  607   3HG2  VAL  76          3HG2      VAL  76  -4.963   2.887   4.331
  608    H    ASP  77           HN       ASP  77  -4.600   6.859   0.574
  609    HA   ASP  77           HA       ASP  77  -4.253   9.111   0.336
  610   1HB   ASP  77          2HB       ASP  77  -6.259   9.067   1.832
  611   2HB   ASP  77          3HB       ASP  77  -5.161   9.158   3.201
  612    H    GLY  78           HN       GLY  78  -2.245   7.321   1.348
  613   1HA   GLY  78          1HA       GLY  78   0.038   7.535   1.677
  614   2HA   GLY  78          2HA       GLY  78  -0.204   9.241   1.992
  615    H    GLU  79           HN       GLU  79  -1.980   6.782   3.752
  616    HA   GLU  79           HA       GLU  79  -0.167   7.119   6.018
  617   1HB   GLU  79          2HB       GLU  79  -3.171   7.193   6.222
  618   2HB   GLU  79          3HB       GLU  79  -2.061   7.185   7.584
  619   1HG   GLU  79          2HG       GLU  79  -1.095   9.313   6.693
  620   2HG   GLU  79          3HG       GLU  79  -2.405   9.337   5.515
  621    H    LEU  80           HN       LEU  80   0.365   5.332   7.064
  622    HA   LEU  80           HA       LEU  80  -0.045   2.889   5.790
  623   1HB   LEU  80          2HB       LEU  80   2.011   3.400   6.921
  624   2HB   LEU  80          3HB       LEU  80   1.181   3.556   8.462
  625    HG   LEU  80           HG       LEU  80   0.596   1.126   8.304
  626   1HD1  LEU  80          1HD1      LEU  80   0.761   0.361   6.185
  627   2HD1  LEU  80          2HD1      LEU  80   2.101   1.435   5.782
  628   3HD1  LEU  80          3HD1      LEU  80   2.397  -0.030   6.720
  629   1HD2  LEU  80          1HD2      LEU  80   2.749   2.310   9.344
  630   2HD2  LEU  80          2HD2      LEU  80   2.481   0.568   9.421
  631   3HD2  LEU  80          3HD2      LEU  80   3.545   1.243   8.187
  632    H    VAL  81           HN       VAL  81  -1.313   1.217   6.092
  633    HA   VAL  81           HA       VAL  81  -3.017   1.109   8.499
  634    HB   VAL  81           HB       VAL  81  -3.559  -0.074   5.760
  635   1HG1  VAL  81          1HG1      VAL  81  -5.849  -0.515   7.001
  636   2HG1  VAL  81          2HG1      VAL  81  -4.524  -1.679   7.071
  637   3HG1  VAL  81          3HG1      VAL  81  -4.798  -0.572   8.416
  638   1HG2  VAL  81          1HG2      VAL  81  -4.671   2.252   7.265
  639   2HG2  VAL  81          2HG2      VAL  81  -4.217   2.127   5.566
  640   3HG2  VAL  81          3HG2      VAL  81  -5.702   1.363   6.140
  641    H    GLY  82           HN       GLY  82  -1.424  -0.935   6.063
  642   1HA   GLY  82          1HA       GLY  82   0.328  -2.435   7.355
  643   2HA   GLY  82          2HA       GLY  82  -1.161  -3.141   7.968
  644    H    GLY  83           HN       GLY  83   1.101  -3.981   5.953
  645   1HA   GLY  83          1HA       GLY  83  -0.323  -4.058   3.484
  646   2HA   GLY  83          2HA       GLY  83   1.275  -4.703   3.777
  647    H    CYS  84           HN       CYS  84   1.128  -6.871   5.208
  648    HA   CYS  84           HA       CYS  84  -0.195  -8.541   3.350
  649   1HB   CYS  84          2HB       CYS  84   0.834 -10.423   4.629
  650   2HB   CYS  84          3HB       CYS  84   1.965  -9.184   4.094
  651    HG   CYS  84           HG       CYS  84   1.107 -10.084   7.222
  652    H    ASP  85           HN       ASP  85  -0.439  -8.778   6.902
  653    HA   ASP  85           HA       ASP  85  -2.847 -10.317   6.671
  654   1HB   ASP  85          2HB       ASP  85  -1.505  -9.145   9.117
  655   2HB   ASP  85          3HB       ASP  85  -2.874 -10.249   9.153
  656    H    ILE  86           HN       ILE  86  -2.035  -7.076   7.726
  657    HA   ILE  86           HA       ILE  86  -4.463  -6.345   8.785
  658    HB   ILE  86           HB       ILE  86  -2.551  -4.526   7.311
  659   1HG1  ILE  86          2HG1      ILE  86  -1.439  -5.809   9.096
  660   2HG1  ILE  86          3HG1      ILE  86  -1.566  -4.105   9.519
  661   1HG2  ILE  86          1HG2      ILE  86  -4.056  -3.497   9.597
  662   2HG2  ILE  86          2HG2      ILE  86  -3.750  -2.771   8.019
  663   3HG2  ILE  86          3HG2      ILE  86  -5.058  -3.937   8.214
  664   1HD1  ILE  86          1HD1      ILE  86  -2.742  -4.556  11.344
  665   2HD1  ILE  86          2HD1      ILE  86  -3.821  -5.653  10.481
  666   3HD1  ILE  86          3HD1      ILE  86  -2.276  -6.239  11.097
  667    H    VAL  87           HN       VAL  87  -3.396  -6.002   5.388
  668    HA   VAL  87           HA       VAL  87  -5.705  -4.725   4.445
  669    HB   VAL  87           HB       VAL  87  -3.828  -6.574   2.965
  670   1HG1  VAL  87          1HG1      VAL  87  -6.205  -6.300   2.010
  671   2HG1  VAL  87          2HG1      VAL  87  -5.721  -4.641   1.663
  672   3HG1  VAL  87          3HG1      VAL  87  -4.838  -5.988   0.941
  673   1HG2  VAL  87          1HG2      VAL  87  -3.798  -3.757   3.705
  674   2HG2  VAL  87          2HG2      VAL  87  -2.485  -4.803   3.162
  675   3HG2  VAL  87          3HG2      VAL  87  -3.544  -4.032   1.981
  676    H    ILE  88           HN       ILE  88  -4.941  -8.216   4.590
  677    HA   ILE  88           HA       ILE  88  -7.342  -9.109   3.453
  678    HB   ILE  88           HB       ILE  88  -5.589 -10.460   5.509
  679   1HG1  ILE  88          2HG1      ILE  88  -4.538 -10.028   3.315
  680   2HG1  ILE  88          3HG1      ILE  88  -4.771 -11.751   3.607
  681   1HG2  ILE  88          1HG2      ILE  88  -6.763 -12.555   4.718
  682   2HG2  ILE  88          2HG2      ILE  88  -7.723 -11.473   5.731
  683   3HG2  ILE  88          3HG2      ILE  88  -7.971 -11.497   3.982
  684   1HD1  ILE  88          1HD1      ILE  88  -6.808 -11.673   2.215
  685   2HD1  ILE  88          2HD1      ILE  88  -6.466  -9.976   1.868
  686   3HD1  ILE  88          3HD1      ILE  88  -5.339 -11.229   1.337
  687    H    GLU  89           HN       GLU  89  -6.487  -8.748   6.900
  688    HA   GLU  89           HA       GLU  89  -9.020  -9.515   7.823
  689   1HB   GLU  89          2HB       GLU  89  -7.037  -9.507   9.247
  690   2HB   GLU  89          3HB       GLU  89  -6.976  -7.752   9.174
  691   1HG   GLU  89          2HG       GLU  89  -9.054  -7.576  10.381
  692   2HG   GLU  89          3HG       GLU  89  -9.259  -9.328  10.339
  693    H    MET  90           HN       MET  90  -7.699  -6.233   7.326
  694    HA   MET  90           HA       MET  90 -10.036  -4.874   8.111
  695   1HB   MET  90          2HB       MET  90  -7.822  -4.018   6.257
  696   2HB   MET  90          3HB       MET  90  -9.108  -2.951   6.806
  697   1HG   MET  90          2HG       MET  90  -7.093  -4.343   8.553
  698   2HG   MET  90          3HG       MET  90  -7.085  -2.640   8.104
  699   1HE   MET  90          1HE       MET  90  -7.517  -1.741  11.221
  700   2HE   MET  90          2HE       MET  90  -7.763  -3.361  11.874
  701   3HE   MET  90          3HE       MET  90  -6.553  -3.090  10.619
  702    H    TYR  91           HN       TYR  91  -9.046  -6.198   5.008
  703    HA   TYR  91           HA       TYR  91 -11.135  -5.188   3.409
  704   1HB   TYR  91          2HB       TYR  91  -9.516  -6.230   2.144
  705   2HB   TYR  91          3HB       TYR  91  -9.269  -7.506   3.324
  706    HD1  TYR  91           1HD      TYR  91  -9.787  -9.574   2.668
  707    HD2  TYR  91           2HD      TYR  91 -12.057  -6.375   1.024
  708    HE1  TYR  91           1HE      TYR  91 -11.020 -11.175   1.310
  709    HE2  TYR  91           2HE      TYR  91 -13.317  -7.980  -0.342
  710    HH   TYR  91           HH       TYR  91 -13.823 -10.189  -0.594
  711    H    GLN  92           HN       GLN  92 -10.853  -8.171   5.295
  712    HA   GLN  92           HA       GLN  92 -13.435  -9.125   4.722
  713   1HB   GLN  92          2HB       GLN  92 -11.673  -9.699   7.112
  714   2HB   GLN  92          3HB       GLN  92 -13.081 -10.641   6.634
  715   1HG   GLN  92          2HG       GLN  92 -11.995 -11.221   4.529
  716   2HG   GLN  92          3HG       GLN  92 -10.597 -10.249   4.984
  717   1HE2  GLN  92          1HE2      GLN  92 -11.615 -13.277   4.720
  718   2HE2  GLN  92          2HE2      GLN  92 -10.670 -14.040   5.951
  719    H    ARG  93           HN       ARG  93 -12.142  -7.092   7.281
  720    HA   ARG  93           HA       ARG  93 -14.408  -6.826   8.923
  721   1HB   ARG  93          2HB       ARG  93 -12.295  -4.760   8.265
  722   2HB   ARG  93          3HB       ARG  93 -13.422  -4.666   9.602
  723   1HG   ARG  93          2HG       ARG  93 -11.306  -6.769   9.254
  724   2HG   ARG  93          3HG       ARG  93 -11.185  -5.354  10.300
  725   1HD   ARG  93          2HD       ARG  93 -13.220  -7.562  10.546
  726   2HD   ARG  93          3HD       ARG  93 -11.790  -7.363  11.554
  727    HE   ARG  93           HE       ARG  93 -13.283  -4.990  11.678
  728   1HH1  ARG  93          2HH1      ARG  93 -13.569  -8.351  12.622
  729   2HH1  ARG  93          1HH1      ARG  93 -14.530  -8.007  14.032
  730   1HH2  ARG  93          2HH2      ARG  93 -14.555  -4.534  13.527
  731   2HH2  ARG  93          1HH2      ARG  93 -15.097  -5.837  14.537
  732    H    GLY  94           HN       GLY  94 -13.491  -5.344   5.899
  733   1HA   GLY  94          1HA       GLY  94 -14.945  -4.229   4.380
  734   2HA   GLY  94          2HA       GLY  94 -16.105  -4.021   5.688
  735    H    GLU  95           HN       GLU  95 -13.854  -3.225   7.469
  736    HA   GLU  95           HA       GLU  95 -14.169  -0.466   7.305
  737   1HB   GLU  95          2HB       GLU  95 -12.022  -2.042   8.732
  738   2HB   GLU  95          3HB       GLU  95 -12.471  -0.373   9.071
  739   1HG   GLU  95          2HG       GLU  95 -14.712  -1.097   9.707
  740   2HG   GLU  95          3HG       GLU  95 -14.277  -2.767   9.353
  741    H    LEU  96           HN       LEU  96 -11.811  -2.505   5.754
  742    HA   LEU  96           HA       LEU  96  -9.904  -0.432   5.225
  743   1HB   LEU  96          2HB       LEU  96  -9.238  -2.787   5.294
  744   2HB   LEU  96          3HB       LEU  96 -10.269  -3.129   3.923
  745    HG   LEU  96           HG       LEU  96  -7.984  -1.181   3.681
  746   1HD1  LEU  96          1HD1      LEU  96  -7.859  -4.156   3.229
  747   2HD1  LEU  96          2HD1      LEU  96  -6.565  -2.990   2.956
  748   3HD1  LEU  96          3HD1      LEU  96  -7.132  -3.312   4.594
  749   1HD2  LEU  96          1HD2      LEU  96  -9.991  -2.067   1.937
  750   2HD2  LEU  96          2HD2      LEU  96  -8.549  -1.138   1.527
  751   3HD2  LEU  96          3HD2      LEU  96  -8.519  -2.899   1.433
  752    H    GLN  97           HN       GLN  97 -12.255  -2.162   3.249
  753    HA   GLN  97           HA       GLN  97 -12.044  -0.515   0.998
  754   1HB   GLN  97          2HB       GLN  97 -14.342  -1.353   0.452
  755   2HB   GLN  97          3HB       GLN  97 -13.119  -2.580   0.685
  756   1HG   GLN  97          2HG       GLN  97 -13.998  -2.976   2.944
  757   2HG   GLN  97          3HG       GLN  97 -15.259  -1.785   2.629
  758   1HE2  GLN  97          1HE2      GLN  97 -14.539  -5.005   2.595
  759   2HE2  GLN  97          2HE2      GLN  97 -15.775  -5.557   1.524
  760    H    GLN  98           HN       GLN  98 -13.572  -0.026   4.025
  761    HA   GLN  98           HA       GLN  98 -15.328   2.062   3.209
  762   1HB   GLN  98          2HB       GLN  98 -14.215   1.213   5.874
  763   2HB   GLN  98          3HB       GLN  98 -15.254   2.613   5.713
  764   1HG   GLN  98          2HG       GLN  98 -16.000  -0.178   4.886
  765   2HG   GLN  98          3HG       GLN  98 -16.443   0.573   6.416
  766   1HE2  GLN  98          1HE2      GLN  98 -16.546   3.092   4.421
  767   2HE2  GLN  98          2HE2      GLN  98 -18.193   3.013   3.891
  768    H    LEU  99           HN       LEU  99 -12.165   2.081   4.868
  769    HA   LEU  99           HA       LEU  99 -11.972   4.904   4.656
  770   1HB   LEU  99          2HB       LEU  99  -9.596   4.554   5.421
  771   2HB   LEU  99          3HB       LEU  99 -10.874   4.048   6.500
  772    HG   LEU  99           HG       LEU  99 -10.484   1.692   5.625
  773   1HD1  LEU  99          1HD1      LEU  99  -9.056   2.655   3.675
  774   2HD1  LEU  99          2HD1      LEU  99  -7.754   2.626   4.865
  775   3HD1  LEU  99          3HD1      LEU  99  -8.593   1.134   4.440
  776   1HD2  LEU  99          1HD2      LEU  99  -9.643   1.655   7.684
  777   2HD2  LEU  99          2HD2      LEU  99  -8.064   1.894   6.938
  778   3HD2  LEU  99          3HD2      LEU  99  -8.978   3.281   7.527
  779    H    ILE 100           HN       ILE 100 -10.807   2.252   2.643
  780    HA   ILE 100           HA       ILE 100  -9.160   3.888   0.973
  781    HB   ILE 100           HB       ILE 100 -10.585   1.322   0.244
  782   1HG1  ILE 100          2HG1      ILE 100  -8.908   1.124   2.106
  783   2HG1  ILE 100          3HG1      ILE 100  -8.516   0.180   0.673
  784   1HG2  ILE 100          1HG2      ILE 100  -9.366   3.199  -1.412
  785   2HG2  ILE 100          2HG2      ILE 100  -8.166   1.919  -1.219
  786   3HG2  ILE 100          3HG2      ILE 100  -9.778   1.531  -1.819
  787   1HD1  ILE 100          1HD1      ILE 100  -6.605   1.272   0.353
  788   2HD1  ILE 100          2HD1      ILE 100  -7.349   2.844   0.655
  789   3HD1  ILE 100          3HD1      ILE 100  -6.818   1.846   2.008
  790    H    LYS 101           HN       LYS 101 -12.553   2.752   0.714
  791    HA   LYS 101           HA       LYS 101 -13.144   3.887  -1.740
  792   1HB   LYS 101          2HB       LYS 101 -14.708   2.379  -0.613
  793   2HB   LYS 101          3HB       LYS 101 -14.987   3.589   0.636
  794   1HG   LYS 101          2HG       LYS 101 -15.863   5.117  -1.044
  795   2HG   LYS 101          3HG       LYS 101 -15.627   3.893  -2.277
  796   1HD   LYS 101          2HD       LYS 101 -17.943   3.924  -1.615
  797   2HD   LYS 101          3HD       LYS 101 -17.205   2.422  -1.060
  798   1HE   LYS 101          2HE       LYS 101 -17.023   3.275   1.177
  799   2HE   LYS 101          3HE       LYS 101 -17.559   4.872   0.657
  800   1HZ   LYS 101          1HZ       LYS 101 -19.658   4.267   0.891
  801   2HZ   LYS 101          2HZ       LYS 101 -19.145   2.804   1.572
  802   3HZ   LYS 101          3HZ       LYS 101 -19.455   2.901  -0.094
  803    H    GLU 102           HN       GLU 102 -13.616   5.266   1.476
  804    HA   GLU 102           HA       GLU 102 -14.703   7.709   0.724
  805   1HB   GLU 102          2HB       GLU 102 -14.585   6.905   3.055
  806   2HB   GLU 102          3HB       GLU 102 -12.844   7.150   3.044
  807   1HG   GLU 102          2HG       GLU 102 -13.210   9.557   2.680
  808   2HG   GLU 102          3HG       GLU 102 -14.950   9.284   2.783
  809    H    THR 103           HN       THR 103 -11.334   6.813   1.247
  810    HA   THR 103           HA       THR 103 -10.164   9.291   0.586
  811    HB   THR 103           HB       THR 103  -9.015   6.509   0.354
  812    HG1  THR 103           1HG      THR 103  -9.434   6.688   2.461
  813   1HG2  THR 103          1HG2      THR 103  -7.697   8.168  -0.846
  814   2HG2  THR 103          2HG2      THR 103  -6.854   7.618   0.606
  815   3HG2  THR 103          3HG2      THR 103  -7.658   9.188   0.595
  816    H    ALA 104           HN       ALA 104 -10.722   6.362  -1.365
  817    HA   ALA 104           HA       ALA 104  -9.615   7.336  -3.756
  818   1HB   ALA 104          1HB       ALA 104 -11.325   5.604  -4.728
  819   2HB   ALA 104          2HB       ALA 104  -9.939   5.070  -3.778
  820   3HB   ALA 104          3HB       ALA 104 -11.531   5.175  -3.029
  821    H    ALA 105           HN       ALA 105 -12.952   7.412  -2.534
  822    HA   ALA 105           HA       ALA 105 -14.166   8.658  -4.728
  823   1HB   ALA 105          1HB       ALA 105 -15.284   7.600  -2.711
  824   2HB   ALA 105          2HB       ALA 105 -14.987   9.123  -1.874
  825   3HB   ALA 105          3HB       ALA 105 -15.998   9.094  -3.318
  826    H    LYS 106           HN       LYS 106 -12.598  10.074  -1.844
  827    HA   LYS 106           HA       LYS 106 -13.184  12.729  -2.689
  828   1HB   LYS 106          2HB       LYS 106 -11.687  13.465  -0.842
  829   2HB   LYS 106          3HB       LYS 106 -13.003  12.418  -0.348
  830   1HG   LYS 106          2HG       LYS 106 -11.288  11.568   0.879
  831   2HG   LYS 106          3HG       LYS 106 -11.206  10.544  -0.551
  832   1HD   LYS 106          2HD       LYS 106  -8.982  11.171  -0.002
  833   2HD   LYS 106          3HD       LYS 106  -9.439  12.095  -1.434
  834   1HE   LYS 106          2HE       LYS 106  -9.856  14.053  -0.093
  835   2HE   LYS 106          3HE       LYS 106  -9.576  13.142   1.390
  836   1HZ   LYS 106          1HZ       LYS 106  -7.541  13.616  -0.720
  837   2HZ   LYS 106          2HZ       LYS 106  -7.282  12.841   0.771
  838   3HZ   LYS 106          3HZ       LYS 106  -7.661  14.497   0.722
  839    H    TYR 107           HN       TYR 107 -10.716  10.511  -3.554
  840    HA   TYR 107           HA       TYR 107  -8.993  12.638  -4.512
  841   1HB   TYR 107          2HB       TYR 107  -8.730   9.671  -4.529
  842   2HB   TYR 107          3HB       TYR 107  -7.791  10.624  -5.675
  843    HD1  TYR 107           1HD      TYR 107  -8.149   9.627  -2.171
  844    HD2  TYR 107           2HD      TYR 107  -6.180  12.270  -4.869
  845    HE1  TYR 107           1HE      TYR 107  -6.518  10.160  -0.447
  846    HE2  TYR 107           2HE      TYR 107  -4.521  12.793  -3.146
  847    HH   TYR 107           HH       TYR 107  -4.881  11.694   0.151
  848    H    LYS 108           HN       LYS 108 -11.138  10.194  -6.028
  849    HA   LYS 108           HA       LYS 108 -10.891  11.701  -8.518
  850   1HB   LYS 108          2HB       LYS 108 -12.508   9.236  -7.986
  851   2HB   LYS 108          3HB       LYS 108 -12.459  10.089  -9.514
  852   1HG   LYS 108          2HG       LYS 108 -11.005   8.396  -9.929
  853   2HG   LYS 108          3HG       LYS 108  -9.895   9.645  -9.363
  854   1HD   LYS 108          2HD       LYS 108  -9.549   7.326  -8.412
  855   2HD   LYS 108          3HD       LYS 108  -9.713   8.629  -7.225
  856   1HE   LYS 108          2HE       LYS 108 -11.773   7.985  -6.575
  857   2HE   LYS 108          3HE       LYS 108 -12.174   7.256  -8.131
  858   1HZ   LYS 108          1HZ       LYS 108 -10.177   6.052  -6.311
  859   2HZ   LYS 108          2HZ       LYS 108 -11.014   5.321  -7.588
  860   3HZ   LYS 108          3HZ       LYS 108 -11.833   5.713  -6.156
  861    H    SER 109           HN       SER 109 -13.661  11.148  -9.212
  862    HA   SER 109           HA       SER 109 -14.987  13.266  -7.697
  863   1HB   SER 109          2HB       SER 109 -15.938  11.672 -10.090
  864   2HB   SER 109          3HB       SER 109 -16.761  13.062  -9.377
  865    HG   SER 109           HG       SER 109 -14.109  13.453 -10.073
  866    H    GLU 110           HN       GLU 110 -17.601  12.071  -8.081
  867    HA   GLU 110           HA       GLU 110 -17.764  10.571  -5.678
  868   1HB   GLU 110          2HB       GLU 110 -19.860  10.921  -7.825
  869   2HB   GLU 110          3HB       GLU 110 -20.146  10.303  -6.210
  870   1HG   GLU 110          2HG       GLU 110 -20.873  12.470  -6.053
  871   2HG   GLU 110          3HG       GLU 110 -19.239  12.586  -5.420
  872    H    GLU 111           HN       GLU 111 -15.989   9.099  -7.027
  873    HA   GLU 111           HA       GLU 111 -17.104   7.059  -8.653
  874   1HB   GLU 111          2HB       GLU 111 -14.467   7.276  -7.196
  875   2HB   GLU 111          3HB       GLU 111 -14.882   5.930  -8.261
  876   1HG   GLU 111          2HG       GLU 111 -14.773   8.829  -9.072
  877   2HG   GLU 111          3HG       GLU 111 -13.516   7.631  -9.377
  878    HA   PRO 112           HA       PRO 112 -18.750   4.593  -5.358
  879   1HB   PRO 112          2HB       PRO 112 -19.893   2.734  -6.896
  880   2HB   PRO 112          3HB       PRO 112 -20.581   4.351  -6.722
  881   1HG   PRO 112          2HG       PRO 112 -18.973   3.196  -8.958
  882   2HG   PRO 112          3HG       PRO 112 -20.351   4.309  -9.028
  883   1HD   PRO 112          2HD       PRO 112 -17.718   5.079  -9.264
  884   2HD   PRO 112          3HD       PRO 112 -19.033   6.143  -8.730
  885    H    ASP 113           HN       ASP 113 -16.274   4.154  -5.185
  886    HA   ASP 113           HA       ASP 113 -15.118   1.855  -6.265
  887   1HB   ASP 113          2HB       ASP 113 -14.470   3.508  -3.841
  888   2HB   ASP 113          3HB       ASP 113 -13.526   2.082  -4.260
  889    H    ALA 114           HN       ALA 114 -14.809   1.608  -2.910
  890    HA   ALA 114           HA       ALA 114 -15.127  -1.074  -2.825
  891   1HB   ALA 114          1HB       ALA 114 -15.903  -0.400  -0.274
  892   2HB   ALA 114          2HB       ALA 114 -14.243  -0.549  -0.845
  893   3HB   ALA 114          3HB       ALA 114 -15.030   1.027  -0.823
  894    H    GLU 115           HN       GLU 115 -17.680   1.244  -2.062
  895    HA   GLU 115           HA       GLU 115 -19.702  -0.566  -2.940
  896   1HB   GLU 115          2HB       GLU 115 -19.452  -1.443  -0.671
  897   2HB   GLU 115          3HB       GLU 115 -19.609   0.177  -0.003
  898   1HG   GLU 115          2HG       GLU 115 -21.899   0.304  -0.867
  899   2HG   GLU 115          3HG       GLU 115 -21.740  -1.331  -1.504
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  23.932  12.241   5.377
    2   2H    MET   1          2H        MET   1  24.165  13.811   4.779
    3   3H    MET   1          3H        MET   1  23.886  12.527   3.706
    4    HA   MET   1           HA       MET   1  21.946  13.362   5.767
    5   1HB   MET   1          2HB       MET   1  20.750  14.569   3.972
    6   2HB   MET   1          3HB       MET   1  22.328  15.259   4.312
    7   1HG   MET   1          2HG       MET   1  23.230  14.109   2.335
    8   2HG   MET   1          3HG       MET   1  21.619  13.489   1.986
    9   1HE   MET   1          1HE       MET   1  19.808  15.876   2.825
   10   2HE   MET   1          2HE       MET   1  19.659  16.868   1.374
   11   3HE   MET   1          3HE       MET   1  19.531  15.111   1.258
   12    H    SER   2           HN       SER   2  22.552  11.706   2.671
   13    HA   SER   2           HA       SER   2  21.552   9.912   1.683
   14   1HB   SER   2          2HB       SER   2  21.324   9.056   4.580
   15   2HB   SER   2          3HB       SER   2  21.354   7.988   3.175
   16    HG   SER   2           HG       SER   2  23.466   8.497   2.816
   17    H    THR   3           HN       THR   3  19.708  11.893   1.738
   18    HA   THR   3           HA       THR   3  17.330  11.272   3.114
   19    HB   THR   3           HB       THR   3  17.754  13.538   2.362
   20    HG1  THR   3           1HG      THR   3  15.666  13.779   2.228
   21   1HG2  THR   3          1HG2      THR   3  17.961  14.222   0.153
   22   2HG2  THR   3          2HG2      THR   3  17.189  12.766  -0.476
   23   3HG2  THR   3          3HG2      THR   3  18.833  12.692   0.157
   24    H    THR   4           HN       THR   4  15.506  10.194   2.544
   25    HA   THR   4           HA       THR   4  15.108   9.200  -0.141
   26    HB   THR   4           HB       THR   4  15.409   7.208   2.133
   27    HG1  THR   4           1HG      THR   4  17.280   6.557   1.151
   28   1HG2  THR   4          1HG2      THR   4  13.927   7.061  -0.246
   29   2HG2  THR   4          2HG2      THR   4  14.311   5.747   0.866
   30   3HG2  THR   4          3HG2      THR   4  15.367   6.078  -0.508
   31    H    ILE   5           HN       ILE   5  14.100   8.834   3.268
   32    HA   ILE   5           HA       ILE   5  11.410   8.219   2.736
   33    HB   ILE   5           HB       ILE   5  12.782   9.285   5.188
   34   1HG1  ILE   5          2HG1      ILE   5  11.328   6.695   4.708
   35   2HG1  ILE   5          3HG1      ILE   5  13.050   6.884   4.378
   36   1HG2  ILE   5          1HG2      ILE   5  10.451  10.150   5.096
   37   2HG2  ILE   5          2HG2      ILE   5   9.882   8.483   4.999
   38   3HG2  ILE   5          3HG2      ILE   5  10.744   9.040   6.433
   39   1HD1  ILE   5          1HD1      ILE   5  13.538   7.187   6.665
   40   2HD1  ILE   5          2HD1      ILE   5  11.838   7.432   7.068
   41   3HD1  ILE   5          3HD1      ILE   5  12.409   5.835   6.585
   42    H    GLU   6           HN       GLU   6  13.019  11.334   3.184
   43    HA   GLU   6           HA       GLU   6  10.786  12.954   3.496
   44   1HB   GLU   6          2HB       GLU   6  13.341  13.583   2.008
   45   2HB   GLU   6          3HB       GLU   6  12.165  14.775   2.547
   46   1HG   GLU   6          2HG       GLU   6  12.575  14.108   4.871
   47   2HG   GLU   6          3HG       GLU   6  13.784  12.950   4.311
   48    H    LYS   7           HN       LYS   7  12.282  11.790   0.497
   49    HA   LYS   7           HA       LYS   7  10.415  13.021  -1.243
   50   1HB   LYS   7          2HB       LYS   7  12.525  12.419  -2.156
   51   2HB   LYS   7          3HB       LYS   7  12.414  10.782  -1.515
   52   1HG   LYS   7          2HG       LYS   7  10.550  10.353  -3.002
   53   2HG   LYS   7          3HG       LYS   7  10.731  11.953  -3.712
   54   1HD   LYS   7          2HD       LYS   7  12.818   9.770  -3.729
   55   2HD   LYS   7          3HD       LYS   7  11.778  10.200  -5.085
   56   1HE   LYS   7          2HE       LYS   7  12.759  12.453  -5.108
   57   2HE   LYS   7          3HE       LYS   7  13.814  11.999  -3.770
   58   1HZ   LYS   7          1HZ       LYS   7  14.991  11.809  -5.855
   59   2HZ   LYS   7          2HZ       LYS   7  13.795  10.777  -6.480
   60   3HZ   LYS   7          3HZ       LYS   7  14.767  10.264  -5.190
   61    H    ILE   8           HN       ILE   8  10.774   9.798   0.198
   62    HA   ILE   8           HA       ILE   8   8.711   8.531  -1.137
   63    HB   ILE   8           HB       ILE   8   9.917   7.990   1.562
   64   1HG1  ILE   8          2HG1      ILE   8  10.211   6.657  -1.138
   65   2HG1  ILE   8          3HG1      ILE   8  11.375   7.758  -0.412
   66   1HG2  ILE   8          1HG2      ILE   8   7.486   6.957   0.498
   67   2HG2  ILE   8          2HG2      ILE   8   8.691   5.668   0.543
   68   3HG2  ILE   8          3HG2      ILE   8   8.298   6.559   2.015
   69   1HD1  ILE   8          1HD1      ILE   8  10.722   4.947   0.309
   70   2HD1  ILE   8          2HD1      ILE   8  12.290   5.709   0.047
   71   3HD1  ILE   8          3HD1      ILE   8  11.389   6.035   1.526
   72    H    GLN   9           HN       GLN   9   8.512  10.261   2.007
   73    HA   GLN   9           HA       GLN   9   5.834   9.510   2.421
   74   1HB   GLN   9          2HB       GLN   9   7.396  11.817   3.566
   75   2HB   GLN   9          3HB       GLN   9   5.738  11.459   4.031
   76   1HG   GLN   9          2HG       GLN   9   6.515   9.172   4.683
   77   2HG   GLN   9          3HG       GLN   9   8.163   9.727   4.415
   78   1HE2  GLN   9          1HE2      GLN   9   9.116  10.094   6.285
   79   2HE2  GLN   9          2HE2      GLN   9   8.404  10.874   7.661
   80    H    ARG  10           HN       ARG  10   7.226  12.242   0.756
   81    HA   ARG  10           HA       ARG  10   4.780  13.583   0.182
   82   1HB   ARG  10          2HB       ARG  10   7.373  13.496  -1.375
   83   2HB   ARG  10          3HB       ARG  10   6.050  14.605  -1.690
   84   1HG   ARG  10          2HG       ARG  10   7.599  14.502   0.892
   85   2HG   ARG  10          3HG       ARG  10   7.943  15.592  -0.439
   86   1HD   ARG  10          2HD       ARG  10   6.683  16.782   1.189
   87   2HD   ARG  10          3HD       ARG  10   5.667  16.524  -0.224
   88    HE   ARG  10           HE       ARG  10   4.224  15.429   1.110
   89   1HH1  ARG  10          2HH1      ARG  10   7.366  15.264   2.657
   90   2HH1  ARG  10          1HH1      ARG  10   6.776  14.415   4.054
   91   1HH2  ARG  10          2HH2      ARG  10   3.444  14.348   2.959
   92   2HH2  ARG  10          1HH2      ARG  10   4.547  13.894   4.225
   93    H    GLN  11           HN       GLN  11   6.575  10.945  -1.256
   94    HA   GLN  11           HA       GLN  11   5.076  10.745  -3.659
   95   1HB   GLN  11          2HB       GLN  11   7.314   9.828  -3.500
   96   2HB   GLN  11          3HB       GLN  11   6.811   8.728  -2.224
   97   1HG   GLN  11          2HG       GLN  11   5.391   7.532  -3.775
   98   2HG   GLN  11          3HG       GLN  11   5.802   8.668  -5.060
   99   1HE2  GLN  11          1HE2      GLN  11   6.482   5.707  -3.799
  100   2HE2  GLN  11          2HE2      GLN  11   8.062   5.475  -4.460
  101    H    ILE  12           HN       ILE  12   4.884   8.989  -0.576
  102    HA   ILE  12           HA       ILE  12   2.820   7.251  -1.411
  103    HB   ILE  12           HB       ILE  12   3.436   8.164   1.404
  104   1HG1  ILE  12          2HG1      ILE  12   4.487   5.821  -0.200
  105   2HG1  ILE  12          3HG1      ILE  12   5.415   7.191   0.409
  106   1HG2  ILE  12          1HG2      ILE  12   2.202   6.323   2.178
  107   2HG2  ILE  12          2HG2      ILE  12   1.202   7.048   0.922
  108   3HG2  ILE  12          3HG2      ILE  12   2.132   5.592   0.577
  109   1HD1  ILE  12          1HD1      ILE  12   5.023   4.735   1.646
  110   2HD1  ILE  12          2HD1      ILE  12   5.755   6.183   2.344
  111   3HD1  ILE  12          3HD1      ILE  12   4.025   5.879   2.548
  112    H    ALA  13           HN       ALA  13   2.798  10.317   0.293
  113    HA   ALA  13           HA       ALA  13   0.058  10.467   0.814
  114   1HB   ALA  13          1HB       ALA  13   0.407  12.731   1.353
  115   2HB   ALA  13          2HB       ALA  13   1.904  11.898   1.770
  116   3HB   ALA  13          3HB       ALA  13   1.807  12.851   0.289
  117    H    GLU  14           HN       GLU  14   1.911  11.553  -2.017
  118    HA   GLU  14           HA       GLU  14  -0.231  12.946  -3.196
  119   1HB   GLU  14          2HB       GLU  14   1.069  13.003  -5.243
  120   2HB   GLU  14          3HB       GLU  14   2.068  13.388  -3.851
  121   1HG   GLU  14          2HG       GLU  14   2.993  11.151  -3.875
  122   2HG   GLU  14          3HG       GLU  14   1.954  10.735  -5.235
  123    H    ASN  15           HN       ASN  15   0.682   9.563  -3.338
  124    HA   ASN  15           HA       ASN  15  -1.186   8.982  -5.466
  125   1HB   ASN  15          2HB       ASN  15   0.354   7.187  -3.592
  126   2HB   ASN  15          3HB       ASN  15  -0.738   6.587  -4.835
  127   1HD2  ASN  15          1HD2      ASN  15   2.403   7.200  -4.167
  128   2HD2  ASN  15          2HD2      ASN  15   3.010   7.410  -5.771
  129    HA   PRO  16           HA       PRO  16  -4.838   9.140  -2.985
  130   1HB   PRO  16          2HB       PRO  16  -5.804   7.281  -5.108
  131   2HB   PRO  16          3HB       PRO  16  -6.528   8.788  -4.530
  132   1HG   PRO  16          2HG       PRO  16  -5.291   8.725  -6.870
  133   2HG   PRO  16          3HG       PRO  16  -5.050  10.105  -5.778
  134   1HD   PRO  16          2HD       PRO  16  -3.248   7.772  -6.313
  135   2HD   PRO  16          3HD       PRO  16  -2.839   9.488  -6.112
  136    H    ILE  17           HN       ILE  17  -3.886   6.077  -4.436
  137    HA   ILE  17           HA       ILE  17  -4.394   4.711  -1.882
  138    HB   ILE  17           HB       ILE  17  -5.270   3.580  -4.557
  139   1HG1  ILE  17          2HG1      ILE  17  -6.716   5.499  -3.994
  140   2HG1  ILE  17          3HG1      ILE  17  -7.588   3.977  -3.915
  141   1HG2  ILE  17          1HG2      ILE  17  -4.629   2.080  -2.576
  142   2HG2  ILE  17          2HG2      ILE  17  -6.149   2.624  -1.862
  143   3HG2  ILE  17          3HG2      ILE  17  -6.158   1.770  -3.407
  144   1HD1  ILE  17          1HD1      ILE  17  -7.232   6.006  -1.916
  145   2HD1  ILE  17          2HD1      ILE  17  -8.299   4.595  -1.909
  146   3HD1  ILE  17          3HD1      ILE  17  -6.641   4.447  -1.323
  147    H    LEU  18           HN       LEU  18  -2.573   3.579  -1.403
  148    HA   LEU  18           HA       LEU  18  -0.816   2.871  -3.655
  149   1HB   LEU  18          2HB       LEU  18  -0.266   5.021  -2.466
  150   2HB   LEU  18          3HB       LEU  18   0.091   4.061  -1.048
  151    HG   LEU  18           HG       LEU  18   1.890   2.921  -2.262
  152   1HD1  LEU  18          1HD1      LEU  18   0.697   3.288  -4.518
  153   2HD1  LEU  18          2HD1      LEU  18   1.499   4.860  -4.516
  154   3HD1  LEU  18          3HD1      LEU  18   2.459   3.381  -4.474
  155   1HD2  LEU  18          1HD2      LEU  18   2.348   4.972  -0.994
  156   2HD2  LEU  18          2HD2      LEU  18   3.394   4.849  -2.411
  157   3HD2  LEU  18          3HD2      LEU  18   2.005   5.938  -2.429
  158    H    LEU  19           HN       LEU  19   0.402   1.084  -3.470
  159    HA   LEU  19           HA       LEU  19   0.170  -0.535  -1.030
  160   1HB   LEU  19          2HB       LEU  19  -1.462  -1.500  -2.391
  161   2HB   LEU  19          3HB       LEU  19  -0.547  -1.217  -3.856
  162    HG   LEU  19           HG       LEU  19   1.018  -2.999  -3.225
  163   1HD1  LEU  19          1HD1      LEU  19  -0.214  -2.745  -0.675
  164   2HD1  LEU  19          2HD1      LEU  19  -0.558  -4.369  -1.275
  165   3HD1  LEU  19          3HD1      LEU  19   1.112  -3.812  -1.149
  166   1HD2  LEU  19          1HD2      LEU  19  -1.903  -3.685  -3.379
  167   2HD2  LEU  19          2HD2      LEU  19  -0.724  -3.599  -4.689
  168   3HD2  LEU  19          3HD2      LEU  19  -0.616  -4.887  -3.489
  169    H    TYR  20           HN       TYR  20   2.177  -0.942  -0.335
  170    HA   TYR  20           HA       TYR  20   4.323  -1.131  -2.328
  171   1HB   TYR  20          2HB       TYR  20   4.283  -0.652   0.624
  172   2HB   TYR  20          3HB       TYR  20   5.735  -1.305  -0.136
  173    HD1  TYR  20           1HD      TYR  20   7.348   0.188  -0.685
  174    HD2  TYR  20           2HD      TYR  20   3.300   1.511  -0.755
  175    HE1  TYR  20           1HE      TYR  20   8.117   2.431  -1.318
  176    HE2  TYR  20           2HE      TYR  20   4.058   3.759  -1.391
  177    HH   TYR  20           HH       TYR  20   7.098   4.860  -1.063
  178    H    MET  21           HN       MET  21   4.832  -3.081  -3.049
  179    HA   MET  21           HA       MET  21   4.943  -5.273  -1.168
  180   1HB   MET  21          2HB       MET  21   3.643  -6.723  -2.755
  181   2HB   MET  21          3HB       MET  21   2.747  -5.576  -1.788
  182   1HG   MET  21          2HG       MET  21   1.786  -5.613  -3.944
  183   2HG   MET  21          3HG       MET  21   2.649  -4.091  -3.785
  184   1HE   MET  21          1HE       MET  21   4.992  -3.924  -6.542
  185   2HE   MET  21          2HE       MET  21   4.440  -3.315  -4.984
  186   3HE   MET  21          3HE       MET  21   5.759  -4.480  -5.057
  187    H    LYS  22           HN       LYS  22   5.163  -7.355  -3.174
  188    HA   LYS  22           HA       LYS  22   7.886  -6.717  -4.062
  189   1HB   LYS  22          2HB       LYS  22   7.509  -8.739  -2.643
  190   2HB   LYS  22          3HB       LYS  22   6.512  -9.410  -3.924
  191   1HG   LYS  22          2HG       LYS  22   8.417  -9.489  -5.417
  192   2HG   LYS  22          3HG       LYS  22   9.433  -8.720  -4.197
  193   1HD   LYS  22          2HD       LYS  22   9.033 -10.646  -2.697
  194   2HD   LYS  22          3HD       LYS  22   8.091 -11.416  -3.973
  195   1HE   LYS  22          2HE       LYS  22  11.008 -10.664  -4.141
  196   2HE   LYS  22          3HE       LYS  22  10.380 -12.287  -3.863
  197   1HZ   LYS  22          1HZ       LYS  22   9.178 -11.948  -6.069
  198   2HZ   LYS  22          2HZ       LYS  22  10.840 -12.230  -6.121
  199   3HZ   LYS  22          3HZ       LYS  22  10.244 -10.655  -6.323
  200    H    GLY  23           HN       GLY  23   7.911  -5.890  -6.044
  201   1HA   GLY  23          1HA       GLY  23   5.914  -6.771  -7.983
  202   2HA   GLY  23          2HA       GLY  23   6.982  -5.381  -8.147
  203    H    SER  24           HN       SER  24   6.328  -8.201  -9.494
  204    HA   SER  24           HA       SER  24   9.073  -8.579 -10.447
  205   1HB   SER  24          2HB       SER  24   8.758 -10.107  -8.533
  206   2HB   SER  24          3HB       SER  24   7.329 -10.781  -9.308
  207    HG   SER  24           HG       SER  24   9.958 -11.344  -9.709
  208    HA   PRO  25           HA       PRO  25   7.105  -8.884 -14.402
  209   1HB   PRO  25          2HB       PRO  25   9.034 -11.076 -14.974
  210   2HB   PRO  25          3HB       PRO  25   8.725  -9.590 -15.878
  211   1HG   PRO  25          2HG       PRO  25  10.926  -9.847 -14.402
  212   2HG   PRO  25          3HG       PRO  25  10.053  -8.304 -14.476
  213   1HD   PRO  25          2HD       PRO  25  10.095 -10.357 -12.304
  214   2HD   PRO  25          3HD       PRO  25  10.049  -8.588 -12.184
  215    H    LYS  26           HN       LYS  26   7.999 -11.916 -12.826
  216    HA   LYS  26           HA       LYS  26   6.062 -13.556 -14.085
  217   1HB   LYS  26          2HB       LYS  26   6.570 -15.165 -12.278
  218   2HB   LYS  26          3HB       LYS  26   8.012 -14.547 -13.066
  219   1HG   LYS  26          2HG       LYS  26   8.314 -12.970 -11.189
  220   2HG   LYS  26          3HG       LYS  26   6.925 -13.706 -10.389
  221   1HD   LYS  26          2HD       LYS  26   8.082 -15.857 -10.346
  222   2HD   LYS  26          3HD       LYS  26   9.464 -15.137 -11.174
  223   1HE   LYS  26          2HE       LYS  26   9.767 -13.591  -9.289
  224   2HE   LYS  26          3HE       LYS  26   8.411 -14.351  -8.460
  225   1HZ   LYS  26          1HZ       LYS  26  10.521 -15.198  -7.659
  226   2HZ   LYS  26          2HZ       LYS  26  10.950 -15.697  -9.221
  227   3HZ   LYS  26          3HZ       LYS  26   9.642 -16.432  -8.424
  228    H    LEU  27           HN       LEU  27   5.978 -11.489 -11.250
  229    HA   LEU  27           HA       LEU  27   3.084 -11.758 -11.036
  230   1HB   LEU  27          2HB       LEU  27   4.456 -13.609  -9.728
  231   2HB   LEU  27          3HB       LEU  27   4.638 -12.289  -8.579
  232    HG   LEU  27           HG       LEU  27   2.776 -13.764  -8.014
  233   1HD1  LEU  27          1HD1      LEU  27   0.983 -11.698  -8.525
  234   2HD1  LEU  27          2HD1      LEU  27   1.926 -11.963  -7.058
  235   3HD1  LEU  27          3HD1      LEU  27   2.562 -10.933  -8.340
  236   1HD2  LEU  27          1HD2      LEU  27   2.082 -14.610 -10.091
  237   2HD2  LEU  27          2HD2      LEU  27   0.725 -13.680  -9.454
  238   3HD2  LEU  27          3HD2      LEU  27   1.751 -12.992 -10.712
  239    HA   PRO  28           HA       PRO  28   4.272  -7.547  -9.899
  240   1HB   PRO  28          2HB       PRO  28   1.761  -6.545  -9.754
  241   2HB   PRO  28          3HB       PRO  28   2.615  -6.778 -11.277
  242   1HG   PRO  28          2HG       PRO  28   0.502  -8.432  -9.983
  243   2HG   PRO  28          3HG       PRO  28   0.740  -8.052 -11.698
  244   1HD   PRO  28          2HD       PRO  28   1.447 -10.417 -10.564
  245   2HD   PRO  28          3HD       PRO  28   2.256  -9.730 -11.982
  246    H    SER  29           HN       SER  29   3.505  -9.762  -7.854
  247    HA   SER  29           HA       SER  29   3.777  -8.180  -5.586
  248   1HB   SER  29          2HB       SER  29   1.621  -8.835  -4.476
  249   2HB   SER  29          3HB       SER  29   1.502  -7.613  -5.734
  250    HG   SER  29           HG       SER  29   1.034 -10.383  -6.162
  251    H    CYS  30           HN       CYS  30   5.324 -10.054  -6.401
  252    HA   CYS  30           HA       CYS  30   4.721 -12.690  -6.130
  253   1HB   CYS  30          2HB       CYS  30   6.735 -11.861  -7.192
  254   2HB   CYS  30          3HB       CYS  30   7.391 -11.377  -5.635
  255    HG   CYS  30           HG       CYS  30   6.588 -14.636  -5.908
  256    H    GLY  31           HN       GLY  31   5.816 -10.607  -3.486
  257   1HA   GLY  31          1HA       GLY  31   6.407 -12.680  -1.665
  258   2HA   GLY  31          2HA       GLY  31   6.126 -11.000  -1.244
  259    H    PHE  32           HN       PHE  32   4.794 -11.121   0.488
  260    HA   PHE  32           HA       PHE  32   2.714 -13.080   0.709
  261   1HB   PHE  32          2HB       PHE  32   3.277 -10.589   2.323
  262   2HB   PHE  32          3HB       PHE  32   1.961 -11.696   2.678
  263    HD1  PHE  32           1HD      PHE  32   5.642 -11.882   2.038
  264    HD2  PHE  32           2HD      PHE  32   2.297 -13.159   4.328
  265    HE1  PHE  32           1HE      PHE  32   7.137 -13.256   3.432
  266    HE2  PHE  32           2HE      PHE  32   3.783 -14.530   5.745
  267    HZ   PHE  32           HZ       PHE  32   6.207 -14.579   5.293
  268    H    SER  33           HN       SER  33   2.984  -9.806  -0.314
  269    HA   SER  33           HA       SER  33   0.469  -8.808  -0.254
  270   1HB   SER  33          2HB       SER  33   1.163  -7.570  -2.342
  271   2HB   SER  33          3HB       SER  33   2.271  -7.474  -0.968
  272    HG   SER  33           HG       SER  33   2.513  -9.292  -3.148
  273    H    ALA  34           HN       ALA  34   1.526 -11.452  -2.217
  274    HA   ALA  34           HA       ALA  34  -0.172 -11.424  -4.376
  275   1HB   ALA  34          1HB       ALA  34   1.123 -13.544  -2.777
  276   2HB   ALA  34          2HB       ALA  34  -0.200 -14.038  -3.835
  277   3HB   ALA  34          3HB       ALA  34   1.206 -13.212  -4.508
  278    H    GLN  35           HN       GLN  35  -0.968 -12.464  -1.023
  279    HA   GLN  35           HA       GLN  35  -3.660 -13.095  -1.880
  280   1HB   GLN  35          2HB       GLN  35  -4.074 -14.016   0.181
  281   2HB   GLN  35          3HB       GLN  35  -2.330 -14.195   0.112
  282   1HG   GLN  35          2HG       GLN  35  -3.660 -11.893   1.495
  283   2HG   GLN  35          3HG       GLN  35  -3.329 -13.426   2.293
  284   1HE2  GLN  35          1HE2      GLN  35  -2.209 -10.405   1.690
  285   2HE2  GLN  35          2HE2      GLN  35  -0.534 -10.645   2.057
  286    H    ALA  36           HN       ALA  36  -2.006 -10.447  -0.312
  287    HA   ALA  36           HA       ALA  36  -4.268  -9.059   0.635
  288   1HB   ALA  36          1HB       ALA  36  -1.754  -7.622  -0.076
  289   2HB   ALA  36          2HB       ALA  36  -2.809  -7.428   1.325
  290   3HB   ALA  36          3HB       ALA  36  -1.738  -8.826   1.216
  291    H    VAL  37           HN       VAL  37  -2.361  -8.689  -2.309
  292    HA   VAL  37           HA       VAL  37  -3.486  -6.378  -3.340
  293    HB   VAL  37           HB       VAL  37  -1.534  -7.468  -4.332
  294   1HG1  VAL  37          1HG1      VAL  37  -3.027  -9.787  -4.285
  295   2HG1  VAL  37          2HG1      VAL  37  -2.919  -9.386  -6.001
  296   3HG1  VAL  37          3HG1      VAL  37  -1.449  -9.567  -5.043
  297   1HG2  VAL  37          1HG2      VAL  37  -3.314  -6.018  -5.654
  298   2HG2  VAL  37          2HG2      VAL  37  -1.901  -6.712  -6.452
  299   3HG2  VAL  37          3HG2      VAL  37  -3.470  -7.514  -6.583
  300    H    GLN  38           HN       GLN  38  -4.646  -9.680  -3.478
  301    HA   GLN  38           HA       GLN  38  -6.758  -9.296  -5.288
  302   1HB   GLN  38          2HB       GLN  38  -6.827 -11.270  -3.014
  303   2HB   GLN  38          3HB       GLN  38  -7.517 -11.436  -4.622
  304   1HG   GLN  38          2HG       GLN  38  -4.590 -11.469  -3.910
  305   2HG   GLN  38          3HG       GLN  38  -5.582 -12.857  -4.354
  306   1HE2  GLN  38          1HE2      GLN  38  -6.732 -10.570  -6.336
  307   2HE2  GLN  38          2HE2      GLN  38  -5.666 -10.747  -7.687
  308    H    ALA  39           HN       ALA  39  -6.618  -9.227  -1.755
  309    HA   ALA  39           HA       ALA  39  -9.320  -8.787  -1.237
  310   1HB   ALA  39          1HB       ALA  39  -8.657  -8.112   0.957
  311   2HB   ALA  39          2HB       ALA  39  -7.585  -9.414   0.436
  312   3HB   ALA  39          3HB       ALA  39  -7.021  -7.743   0.404
  313    H    LEU  40           HN       LEU  40  -6.713  -6.472  -1.832
  314    HA   LEU  40           HA       LEU  40  -8.092  -4.133  -1.158
  315   1HB   LEU  40          2HB       LEU  40  -5.596  -4.691  -1.951
  316   2HB   LEU  40          3HB       LEU  40  -6.227  -4.099  -3.463
  317    HG   LEU  40           HG       LEU  40  -6.035  -2.567  -0.873
  318   1HD1  LEU  40          1HD1      LEU  40  -4.829  -1.221  -3.036
  319   2HD1  LEU  40          2HD1      LEU  40  -4.054  -1.950  -1.628
  320   3HD1  LEU  40          3HD1      LEU  40  -4.283  -2.899  -3.095
  321   1HD2  LEU  40          1HD2      LEU  40  -7.684  -1.256  -1.551
  322   2HD2  LEU  40          2HD2      LEU  40  -6.719  -0.833  -2.967
  323   3HD2  LEU  40          3HD2      LEU  40  -7.857  -2.177  -3.045
  324    H    ALA  41           HN       ALA  41  -7.477  -5.526  -4.347
  325    HA   ALA  41           HA       ALA  41  -9.136  -3.796  -5.809
  326   1HB   ALA  41          1HB       ALA  41  -7.275  -5.401  -6.614
  327   2HB   ALA  41          2HB       ALA  41  -8.564  -6.603  -6.683
  328   3HB   ALA  41          3HB       ALA  41  -8.676  -5.134  -7.653
  329    H    ALA  42           HN       ALA  42  -9.716  -6.709  -4.026
  330    HA   ALA  42           HA       ALA  42 -12.285  -7.274  -5.173
  331   1HB   ALA  42          1HB       ALA  42 -12.293  -8.400  -2.636
  332   2HB   ALA  42          2HB       ALA  42 -11.823  -9.191  -4.141
  333   3HB   ALA  42          3HB       ALA  42 -10.599  -8.425  -3.126
  334    H    CYS  43           HN       CYS  43 -11.231  -5.699  -2.174
  335    HA   CYS  43           HA       CYS  43 -13.874  -5.050  -1.342
  336   1HB   CYS  43          2HB       CYS  43 -11.141  -4.483  -0.419
  337   2HB   CYS  43          3HB       CYS  43 -12.377  -3.333   0.068
  338    HG   CYS  43           HG       CYS  43 -13.283  -6.483   0.572
  339    H    GLY  44           HN       GLY  44 -11.211  -2.957  -2.530
  340   1HA   GLY  44          1HA       GLY  44 -13.234  -0.894  -3.032
  341   2HA   GLY  44          2HA       GLY  44 -11.513  -0.615  -2.843
  342    H    GLU  45           HN       GLU  45 -11.361   0.595  -4.624
  343    HA   GLU  45           HA       GLU  45 -11.877  -0.637  -7.234
  344   1HB   GLU  45          2HB       GLU  45 -11.570   2.223  -6.350
  345   2HB   GLU  45          3HB       GLU  45 -11.524   1.754  -8.043
  346   1HG   GLU  45          2HG       GLU  45 -13.822   1.166  -6.196
  347   2HG   GLU  45          3HG       GLU  45 -13.728   2.576  -7.252
  348    H    ARG  46           HN       ARG  46 -10.184   1.260  -8.584
  349    HA   ARG  46           HA       ARG  46  -7.804  -0.216  -8.762
  350   1HB   ARG  46          2HB       ARG  46  -8.340   2.614  -9.675
  351   2HB   ARG  46          3HB       ARG  46  -7.006   1.600 -10.208
  352   1HG   ARG  46          2HG       ARG  46  -9.929   1.079 -10.676
  353   2HG   ARG  46          3HG       ARG  46  -8.771   1.676 -11.855
  354   1HD   ARG  46          2HD       ARG  46  -7.493  -0.413 -11.647
  355   2HD   ARG  46          3HD       ARG  46  -8.677  -1.008 -10.486
  356    HE   ARG  46           HE       ARG  46  -8.878  -1.138 -13.286
  357   1HH1  ARG  46          2HH1      ARG  46 -10.863  -0.447 -10.479
  358   2HH1  ARG  46          1HH1      ARG  46 -12.352  -0.846 -11.270
  359   1HH2  ARG  46          2HH2      ARG  46 -10.835  -1.691 -14.324
  360   2HH2  ARG  46          1HH2      ARG  46 -12.334  -1.573 -13.450
  361    H    PHE  47           HN       PHE  47  -5.692   0.354  -8.306
  362    HA   PHE  47           HA       PHE  47  -5.213   2.423  -6.307
  363   1HB   PHE  47          2HB       PHE  47  -4.340   0.853  -4.671
  364   2HB   PHE  47          3HB       PHE  47  -6.007   0.446  -5.047
  365    HD1  PHE  47           1HD      PHE  47  -6.580  -1.699  -5.757
  366    HD2  PHE  47           2HD      PHE  47  -2.489  -0.493  -5.787
  367    HE1  PHE  47           1HE      PHE  47  -5.889  -4.036  -6.132
  368    HE2  PHE  47           2HE      PHE  47  -1.804  -2.823  -6.191
  369    HZ   PHE  47           HZ       PHE  47  -3.506  -4.594  -6.371
  370    H    ALA  48           HN       ALA  48  -2.942   2.739  -5.904
  371    HA   ALA  48           HA       ALA  48  -1.265   1.834  -8.135
  372   1HB   ALA  48          1HB       ALA  48  -1.575   4.364  -7.119
  373   2HB   ALA  48          2HB       ALA  48  -0.078   3.817  -6.364
  374   3HB   ALA  48          3HB       ALA  48  -0.233   3.813  -8.120
  375    H    TYR  49           HN       TYR  49   0.802   0.949  -7.734
  376    HA   TYR  49           HA       TYR  49   1.213   0.032  -4.966
  377   1HB   TYR  49          2HB       TYR  49   1.305  -2.221  -5.567
  378   2HB   TYR  49          3HB       TYR  49   0.002  -1.640  -6.591
  379    HD1  TYR  49           1HD      TYR  49   0.091  -2.098  -8.901
  380    HD2  TYR  49           2HD      TYR  49   3.623  -2.290  -6.561
  381    HE1  TYR  49           1HE      TYR  49   1.305  -3.082 -10.813
  382    HE2  TYR  49           2HE      TYR  49   4.860  -3.235  -8.438
  383    HH   TYR  49           HH       TYR  49   4.273  -3.044 -11.314
  384    H    VAL  50           HN       VAL  50   3.406  -0.512  -4.502
  385    HA   VAL  50           HA       VAL  50   5.373   0.391  -6.501
  386    HB   VAL  50           HB       VAL  50   5.465   0.996  -3.526
  387   1HG1  VAL  50          1HG1      VAL  50   7.432   1.162  -5.678
  388   2HG1  VAL  50          2HG1      VAL  50   7.256   2.662  -4.768
  389   3HG1  VAL  50          3HG1      VAL  50   7.655   1.162  -3.926
  390   1HG2  VAL  50          1HG2      VAL  50   5.420   3.422  -4.783
  391   2HG2  VAL  50          2HG2      VAL  50   4.313   2.478  -5.780
  392   3HG2  VAL  50          3HG2      VAL  50   4.024   2.633  -4.048
  393    H    ASP  51           HN       ASP  51   7.003  -0.966  -6.786
  394    HA   ASP  51           HA       ASP  51   7.126  -3.382  -5.258
  395   1HB   ASP  51          2HB       ASP  51   8.979  -3.993  -6.761
  396   2HB   ASP  51          3HB       ASP  51   7.552  -3.474  -7.642
  397    H    ILE  52           HN       ILE  52   8.488  -3.915  -3.651
  398    HA   ILE  52           HA       ILE  52  10.755  -2.230  -3.026
  399    HB   ILE  52           HB       ILE  52   9.841  -2.293  -0.525
  400   1HG1  ILE  52          2HG1      ILE  52   7.453  -1.458  -0.639
  401   2HG1  ILE  52          3HG1      ILE  52   7.419  -2.101  -2.281
  402   1HG2  ILE  52          1HG2      ILE  52  10.068  -0.114  -0.691
  403   2HG2  ILE  52          2HG2      ILE  52  10.415  -0.390  -2.400
  404   3HG2  ILE  52          3HG2      ILE  52   8.778   0.024  -1.888
  405   1HD1  ILE  52          1HD1      ILE  52   7.012  -4.124  -1.539
  406   2HD1  ILE  52          2HD1      ILE  52   8.401  -4.068  -0.453
  407   3HD1  ILE  52          3HD1      ILE  52   6.840  -3.438   0.075
  408    H    LEU  53           HN       LEU  53   8.940  -5.184  -2.346
  409    HA   LEU  53           HA       LEU  53  11.116  -6.349  -0.849
  410   1HB   LEU  53          2HB       LEU  53   8.873  -7.718  -2.338
  411   2HB   LEU  53          3HB       LEU  53  10.091  -8.552  -1.401
  412    HG   LEU  53           HG       LEU  53   8.388  -8.533   0.089
  413   1HD1  LEU  53          1HD1      LEU  53  10.222  -7.474   1.182
  414   2HD1  LEU  53          2HD1      LEU  53   9.716  -5.895   0.581
  415   3HD1  LEU  53          3HD1      LEU  53   8.714  -6.755   1.748
  416   1HD2  LEU  53          1HD2      LEU  53   6.760  -7.389  -1.268
  417   2HD2  LEU  53          2HD2      LEU  53   6.740  -6.746   0.375
  418   3HD2  LEU  53          3HD2      LEU  53   7.521  -5.838  -0.916
  419    H    GLN  54           HN       GLN  54  10.737  -5.330  -3.928
  420    HA   GLN  54           HA       GLN  54  12.510  -7.298  -5.133
  421   1HB   GLN  54          2HB       GLN  54  10.490  -6.706  -6.400
  422   2HB   GLN  54          3HB       GLN  54  10.939  -5.003  -6.340
  423   1HG   GLN  54          2HG       GLN  54  12.770  -6.981  -7.626
  424   2HG   GLN  54          3HG       GLN  54  11.358  -6.390  -8.491
  425   1HE2  GLN  54          1HE2      GLN  54  11.939  -3.815  -6.774
  426   2HE2  GLN  54          2HE2      GLN  54  13.098  -2.990  -7.745
  427    H    ASN  55           HN       ASN  55  12.364  -3.876  -4.236
  428    HA   ASN  55           HA       ASN  55  15.078  -3.331  -5.123
  429   1HB   ASN  55          2HB       ASN  55  13.165  -1.695  -3.443
  430   2HB   ASN  55          3HB       ASN  55  14.750  -1.146  -3.980
  431   1HD2  ASN  55          1HD2      ASN  55  11.584  -0.908  -4.602
  432   2HD2  ASN  55          2HD2      ASN  55  11.614  -0.605  -6.302
  433    HA   PRO  56           HA       PRO  56  16.888  -5.012  -1.446
  434   1HB   PRO  56          2HB       PRO  56  19.380  -3.942  -1.809
  435   2HB   PRO  56          3HB       PRO  56  18.799  -5.394  -2.629
  436   1HG   PRO  56          2HG       PRO  56  18.976  -2.588  -3.636
  437   2HG   PRO  56          3HG       PRO  56  19.315  -4.109  -4.482
  438   1HD   PRO  56          2HD       PRO  56  17.017  -2.715  -4.824
  439   2HD   PRO  56          3HD       PRO  56  17.099  -4.483  -4.958
  440    H    ASP  57           HN       ASP  57  17.562  -1.600  -2.279
  441    HA   ASP  57           HA       ASP  57  18.075  -0.994   0.503
  442   1HB   ASP  57          2HB       ASP  57  18.058   0.754  -1.948
  443   2HB   ASP  57          3HB       ASP  57  18.386   1.361  -0.328
  444    H    ILE  58           HN       ILE  58  15.651   0.039  -1.868
  445    HA   ILE  58           HA       ILE  58  14.207   1.760  -0.213
  446    HB   ILE  58           HB       ILE  58  13.040   0.080  -2.439
  447   1HG1  ILE  58          2HG1      ILE  58  14.417   2.778  -2.546
  448   2HG1  ILE  58          3HG1      ILE  58  15.060   1.271  -3.190
  449   1HG2  ILE  58          1HG2      ILE  58  12.060   2.780  -2.180
  450   2HG2  ILE  58          2HG2      ILE  58  11.168   1.258  -2.160
  451   3HG2  ILE  58          3HG2      ILE  58  11.859   1.895  -0.668
  452   1HD1  ILE  58          1HD1      ILE  58  13.931   2.977  -4.776
  453   2HD1  ILE  58          2HD1      ILE  58  13.598   1.256  -4.968
  454   3HD1  ILE  58          3HD1      ILE  58  12.429   2.296  -4.151
  455    H    ARG  59           HN       ARG  59  14.102  -1.710  -0.525
  456    HA   ARG  59           HA       ARG  59  11.765  -2.417   0.774
  457   1HB   ARG  59          2HB       ARG  59  13.335  -3.998  -0.286
  458   2HB   ARG  59          3HB       ARG  59  14.487  -3.717   1.010
  459   1HG   ARG  59          2HG       ARG  59  12.839  -4.642   2.612
  460   2HG   ARG  59          3HG       ARG  59  11.783  -5.022   1.247
  461   1HD   ARG  59          2HD       ARG  59  13.547  -6.432   0.288
  462   2HD   ARG  59          3HD       ARG  59  14.584  -6.064   1.666
  463    HE   ARG  59           HE       ARG  59  12.125  -7.150   2.552
  464   1HH1  ARG  59          2HH1      ARG  59  15.151  -8.055   1.053
  465   2HH1  ARG  59          1HH1      ARG  59  15.069  -9.703   1.582
  466   1HH2  ARG  59          2HH2      ARG  59  11.994  -9.310   3.253
  467   2HH2  ARG  59          1HH2      ARG  59  13.277 -10.418   2.855
  468    H    ALA  60           HN       ALA  60  14.849  -1.405   2.154
  469    HA   ALA  60           HA       ALA  60  14.007  -2.069   4.822
  470   1HB   ALA  60          1HB       ALA  60  16.511  -1.571   3.453
  471   2HB   ALA  60          2HB       ALA  60  16.457  -0.868   5.070
  472   3HB   ALA  60          3HB       ALA  60  16.156  -2.590   4.846
  473    H    GLU  61           HN       GLU  61  14.579   0.929   3.069
  474    HA   GLU  61           HA       GLU  61  15.030   2.472   5.346
  475   1HB   GLU  61          2HB       GLU  61  14.289   3.355   2.556
  476   2HB   GLU  61          3HB       GLU  61  14.902   4.419   3.815
  477   1HG   GLU  61          2HG       GLU  61  16.991   3.211   3.884
  478   2HG   GLU  61          3HG       GLU  61  16.387   2.048   2.705
  479    H    LEU  62           HN       LEU  62  12.199   2.876   3.150
  480    HA   LEU  62           HA       LEU  62  10.981   4.655   4.975
  481   1HB   LEU  62          2HB       LEU  62   9.025   4.683   3.585
  482   2HB   LEU  62          3HB       LEU  62  10.478   4.834   2.607
  483    HG   LEU  62           HG       LEU  62   9.110   2.174   2.956
  484   1HD1  LEU  62          1HD1      LEU  62   8.564   3.743   0.527
  485   2HD1  LEU  62          2HD1      LEU  62   7.531   2.623   1.415
  486   3HD1  LEU  62          3HD1      LEU  62   7.736   4.278   1.989
  487   1HD2  LEU  62          1HD2      LEU  62  11.269   3.332   1.363
  488   2HD2  LEU  62          2HD2      LEU  62  10.974   1.659   1.836
  489   3HD2  LEU  62          3HD2      LEU  62  10.129   2.343   0.447
  490    HA   PRO  63           HA       PRO  63   8.067   0.801   5.946
  491   1HB   PRO  63          2HB       PRO  63   9.675  -1.287   6.780
  492   2HB   PRO  63          3HB       PRO  63   8.856  -1.213   5.217
  493   1HG   PRO  63          2HG       PRO  63  11.674  -0.487   5.909
  494   2HG   PRO  63          3HG       PRO  63  11.059  -1.402   4.517
  495   1HD   PRO  63          2HD       PRO  63  11.731   1.140   4.231
  496   2HD   PRO  63          3HD       PRO  63  10.249   0.523   3.463
  497    H    LYS  64           HN       LYS  64  11.323   1.196   7.228
  498    HA   LYS  64           HA       LYS  64  10.807   0.808   9.939
  499   1HB   LYS  64          2HB       LYS  64  12.773   2.805   8.810
  500   2HB   LYS  64          3HB       LYS  64  12.839   2.024  10.383
  501   1HG   LYS  64          2HG       LYS  64  13.043  -0.176   9.035
  502   2HG   LYS  64          3HG       LYS  64  13.416   0.879   7.683
  503   1HD   LYS  64          2HD       LYS  64  14.890   0.953  10.308
  504   2HD   LYS  64          3HD       LYS  64  15.422   0.035   8.900
  505   1HE   LYS  64          2HE       LYS  64  14.937   3.008   8.878
  506   2HE   LYS  64          3HE       LYS  64  16.511   2.275   9.183
  507   1HZ   LYS  64          1HZ       LYS  64  16.690   1.554   7.029
  508   2HZ   LYS  64          2HZ       LYS  64  15.860   3.013   6.803
  509   3HZ   LYS  64          3HZ       LYS  64  15.017   1.538   6.763
  510    H    TYR  65           HN       TYR  65  10.445   3.620   7.866
  511    HA   TYR  65           HA       TYR  65   9.800   5.429   9.938
  512   1HB   TYR  65          2HB       TYR  65   9.857   6.980   8.313
  513   2HB   TYR  65          3HB       TYR  65  10.363   5.689   7.247
  514    HD1  TYR  65           1HD      TYR  65   9.370   5.800   5.151
  515    HD2  TYR  65           2HD      TYR  65   7.069   6.945   8.558
  516    HE1  TYR  65           1HE      TYR  65   7.461   6.348   3.692
  517    HE2  TYR  65           2HE      TYR  65   5.168   7.463   7.102
  518    HH   TYR  65           HH       TYR  65   4.671   6.461   4.254
  519    H    ALA  66           HN       ALA  66   7.774   3.344   7.810
  520    HA   ALA  66           HA       ALA  66   5.365   4.492   8.844
  521   1HB   ALA  66          1HB       ALA  66   6.123   2.581   6.869
  522   2HB   ALA  66          2HB       ALA  66   4.812   1.926   7.849
  523   3HB   ALA  66          3HB       ALA  66   4.613   3.478   7.034
  524    H    ASN  67           HN       ASN  67   6.778   1.249   9.313
  525    HA   ASN  67           HA       ASN  67   6.764   1.333  12.045
  526   1HB   ASN  67          2HB       ASN  67   4.286   1.225  11.943
  527   2HB   ASN  67          3HB       ASN  67   4.405  -0.311  11.087
  528   1HD2  ASN  67          1HD2      ASN  67   4.160  -2.033  12.325
  529   2HD2  ASN  67          2HD2      ASN  67   4.548  -2.139  14.005
  530    H    TRP  68           HN       TRP  68   5.894  -0.911   9.531
  531    HA   TRP  68           HA       TRP  68   7.030  -3.258  10.361
  532   1HB   TRP  68          2HB       TRP  68   6.473  -2.130   7.638
  533   2HB   TRP  68          3HB       TRP  68   7.216  -3.713   7.817
  534    HD1  TRP  68           1HD      TRP  68   5.545  -5.507   7.455
  535    HE1  TRP  68           1HE      TRP  68   3.053  -5.901   7.950
  536    HE3  TRP  68           3HE      TRP  68   4.430  -1.064   9.739
  537    HZ2  TRP  68           2HZ      TRP  68   0.912  -4.541   9.146
  538    HZ3  TRP  68           3HZ      TRP  68   2.131  -0.699  10.527
  539    HH2  TRP  68           2HH      TRP  68   0.408  -2.400  10.235
  540    HA   PRO  69           HA       PRO  69  11.467  -2.975   9.654
  541   1HB   PRO  69          2HB       PRO  69  11.365  -5.778   8.811
  542   2HB   PRO  69          3HB       PRO  69  12.177  -5.067  10.208
  543   1HG   PRO  69          2HG       PRO  69  10.003  -6.649  10.455
  544   2HG   PRO  69          3HG       PRO  69  10.337  -5.311  11.570
  545   1HD   PRO  69          2HD       PRO  69   8.432  -5.423   9.258
  546   2HD   PRO  69          3HD       PRO  69   8.207  -4.707  10.868
  547    H    THR  70           HN       THR  70   9.293  -4.632   7.459
  548    HA   THR  70           HA       THR  70  10.500  -3.295   5.162
  549    HB   THR  70           HB       THR  70  10.419  -5.392   3.823
  550    HG1  THR  70           1HG      THR  70   9.039  -6.373   5.747
  551   1HG2  THR  70          1HG2      THR  70  12.263  -5.008   6.119
  552   2HG2  THR  70          2HG2      THR  70  12.597  -5.025   4.385
  553   3HG2  THR  70          3HG2      THR  70  12.352  -6.542   5.251
  554    H    PHE  71           HN       PHE  71   8.639  -5.530   3.793
  555    HA   PHE  71           HA       PHE  71   6.069  -4.245   4.402
  556   1HB   PHE  71          2HB       PHE  71   7.113  -4.670   1.584
  557   2HB   PHE  71          3HB       PHE  71   5.586  -3.928   2.030
  558    HD1  PHE  71           1HD      PHE  71   9.257  -3.485   2.338
  559    HD2  PHE  71           2HD      PHE  71   5.442  -1.606   2.250
  560    HE1  PHE  71           1HE      PHE  71  10.339  -1.287   2.331
  561    HE2  PHE  71           2HE      PHE  71   6.529   0.601   2.263
  562    HZ   PHE  71           HZ       PHE  71   8.975   0.755   2.278
  563    HA   PRO  72           HA       PRO  72   4.649  -4.940   1.498
  564   1HB   PRO  72          2HB       PRO  72   2.096  -5.898   1.558
  565   2HB   PRO  72          3HB       PRO  72   3.342  -6.504   0.466
  566   1HG   PRO  72          2HG       PRO  72   2.351  -7.646   3.040
  567   2HG   PRO  72          3HG       PRO  72   2.798  -8.478   1.540
  568   1HD   PRO  72          2HD       PRO  72   4.419  -8.374   3.709
  569   2HD   PRO  72          3HD       PRO  72   5.037  -8.458   2.048
  570    H    GLN  73           HN       GLN  73   3.290  -3.188   1.759
  571    HA   GLN  73           HA       GLN  73   1.773  -2.926   4.241
  572   1HB   GLN  73          2HB       GLN  73   3.623  -0.725   3.320
  573   2HB   GLN  73          3HB       GLN  73   2.588  -0.724   4.733
  574   1HG   GLN  73          2HG       GLN  73   3.951  -2.464   5.748
  575   2HG   GLN  73          3HG       GLN  73   5.012  -2.450   4.331
  576   1HE2  GLN  73          1HE2      GLN  73   4.761  -1.361   7.379
  577   2HE2  GLN  73          2HE2      GLN  73   5.725   0.069   7.272
  578    H    LEU  74           HN       LEU  74  -0.113  -1.954   3.870
  579    HA   LEU  74           HA       LEU  74  -0.645  -0.846   1.222
  580   1HB   LEU  74          2HB       LEU  74  -2.132  -2.591   2.079
  581   2HB   LEU  74          3HB       LEU  74  -2.502  -1.608   3.474
  582    HG   LEU  74           HG       LEU  74  -4.298  -1.713   1.714
  583   1HD1  LEU  74          1HD1      LEU  74  -3.945   1.110   1.596
  584   2HD1  LEU  74          2HD1      LEU  74  -5.034   0.169   2.620
  585   3HD1  LEU  74          3HD1      LEU  74  -3.403   0.542   3.178
  586   1HD2  LEU  74          1HD2      LEU  74  -4.064  -0.643  -0.351
  587   2HD2  LEU  74          2HD2      LEU  74  -2.559   0.142   0.127
  588   3HD2  LEU  74          3HD2      LEU  74  -2.594  -1.598  -0.162
  589    H    TRP  75           HN       TRP  75  -1.192   1.250   0.900
  590    HA   TRP  75           HA       TRP  75  -1.424   2.981   3.267
  591   1HB   TRP  75          2HB       TRP  75   0.031   3.619   0.698
  592   2HB   TRP  75          3HB       TRP  75  -0.273   4.760   1.998
  593    HD1  TRP  75           1HD      TRP  75   1.729   1.484   1.397
  594    HE1  TRP  75           1HE      TRP  75   3.771   1.534   2.971
  595    HE3  TRP  75           3HE      TRP  75   0.623   5.724   3.987
  596    HZ2  TRP  75           2HZ      TRP  75   4.760   3.168   5.057
  597    HZ3  TRP  75           3HZ      TRP  75   2.164   6.471   5.760
  598    HH2  TRP  75           2HH      TRP  75   4.190   5.215   6.281
  599    H    VAL  76           HN       VAL  76  -3.196   4.211   3.229
  600    HA   VAL  76           HA       VAL  76  -4.470   4.683   0.631
  601    HB   VAL  76           HB       VAL  76  -5.908   3.074   1.599
  602   1HG1  VAL  76          1HG1      VAL  76  -6.704   3.019   3.804
  603   2HG1  VAL  76          2HG1      VAL  76  -4.970   3.344   3.932
  604   3HG1  VAL  76          3HG1      VAL  76  -6.133   4.658   4.139
  605   1HG2  VAL  76          1HG2      VAL  76  -6.997   5.829   2.108
  606   2HG2  VAL  76          2HG2      VAL  76  -7.151   4.864   0.635
  607   3HG2  VAL  76          3HG2      VAL  76  -7.980   4.357   2.112
  608    H    ASP  77           HN       ASP  77  -4.661   6.786   0.188
  609    HA   ASP  77           HA       ASP  77  -4.552   9.071   0.384
  610   1HB   ASP  77          2HB       ASP  77  -6.526   8.663   1.931
  611   2HB   ASP  77          3HB       ASP  77  -5.364   8.652   3.251
  612    H    GLY  78           HN       GLY  78  -2.525   7.187   0.990
  613   1HA   GLY  78          1HA       GLY  78  -0.285   7.155   1.492
  614   2HA   GLY  78          2HA       GLY  78  -0.409   8.861   1.877
  615    H    GLU  79           HN       GLU  79  -2.470   6.584   3.444
  616    HA   GLU  79           HA       GLU  79  -1.020   6.954   5.957
  617   1HB   GLU  79          2HB       GLU  79  -3.880   6.185   5.460
  618   2HB   GLU  79          3HB       GLU  79  -3.143   6.459   7.036
  619   1HG   GLU  79          2HG       GLU  79  -3.231   8.543   4.889
  620   2HG   GLU  79          3HG       GLU  79  -4.488   8.343   6.087
  621    H    LEU  80           HN       LEU  80  -0.160   5.180   6.963
  622    HA   LEU  80           HA       LEU  80  -0.127   2.689   5.593
  623   1HB   LEU  80          2HB       LEU  80   1.804   3.380   6.855
  624   2HB   LEU  80          3HB       LEU  80   0.858   3.487   8.332
  625    HG   LEU  80           HG       LEU  80   0.456   1.007   8.128
  626   1HD1  LEU  80          1HD1      LEU  80   2.545   0.034   6.763
  627   2HD1  LEU  80          2HD1      LEU  80   0.929   0.217   6.079
  628   3HD1  LEU  80          3HD1      LEU  80   2.163   1.440   5.770
  629   1HD2  LEU  80          1HD2      LEU  80   2.913   0.502   8.783
  630   2HD2  LEU  80          2HD2      LEU  80   3.126   2.245   8.636
  631   3HD2  LEU  80          3HD2      LEU  80   1.955   1.594   9.782
  632    H    VAL  81           HN       VAL  81  -1.481   1.060   5.729
  633    HA   VAL  81           HA       VAL  81  -3.234   0.859   8.091
  634    HB   VAL  81           HB       VAL  81  -3.621  -0.366   5.346
  635   1HG1  VAL  81          1HG1      VAL  81  -4.758  -1.021   7.903
  636   2HG1  VAL  81          2HG1      VAL  81  -6.011  -0.449   6.801
  637   3HG1  VAL  81          3HG1      VAL  81  -4.986  -1.812   6.344
  638   1HG2  VAL  81          1HG2      VAL  81  -5.461   1.638   6.582
  639   2HG2  VAL  81          2HG2      VAL  81  -4.004   2.179   5.748
  640   3HG2  VAL  81          3HG2      VAL  81  -5.221   1.237   4.883
  641    H    GLY  82           HN       GLY  82  -1.443  -1.095   5.736
  642   1HA   GLY  82          1HA       GLY  82   0.263  -2.608   7.018
  643   2HA   GLY  82          2HA       GLY  82  -1.219  -3.298   7.671
  644    H    GLY  83           HN       GLY  83   1.014  -4.165   5.629
  645   1HA   GLY  83          1HA       GLY  83  -0.451  -4.317   3.190
  646   2HA   GLY  83          2HA       GLY  83   1.161  -4.931   3.470
  647    H    CYS  84           HN       CYS  84   1.060  -7.040   4.985
  648    HA   CYS  84           HA       CYS  84  -0.259  -8.834   3.238
  649   1HB   CYS  84          2HB       CYS  84   0.731 -10.612   4.738
  650   2HB   CYS  84          3HB       CYS  84   1.878  -9.490   4.022
  651    HG   CYS  84           HG       CYS  84   1.219 -10.112   7.223
  652    H    ASP  85           HN       ASP  85  -0.485  -8.847   6.792
  653    HA   ASP  85           HA       ASP  85  -2.891 -10.393   6.714
  654   1HB   ASP  85          2HB       ASP  85  -1.498  -9.011   9.015
  655   2HB   ASP  85          3HB       ASP  85  -2.858 -10.113   9.187
  656    H    ILE  86           HN       ILE  86  -2.102  -7.082   7.558
  657    HA   ILE  86           HA       ILE  86  -4.545  -6.365   8.594
  658    HB   ILE  86           HB       ILE  86  -2.680  -4.526   7.090
  659   1HG1  ILE  86          2HG1      ILE  86  -1.507  -5.771   8.858
  660   2HG1  ILE  86          3HG1      ILE  86  -1.676  -4.074   9.288
  661   1HG2  ILE  86          1HG2      ILE  86  -4.437  -3.747   9.383
  662   2HG2  ILE  86          2HG2      ILE  86  -3.783  -2.750   8.082
  663   3HG2  ILE  86          3HG2      ILE  86  -5.118  -3.859   7.758
  664   1HD1  ILE  86          1HD1      ILE  86  -3.908  -5.515  10.315
  665   2HD1  ILE  86          2HD1      ILE  86  -2.418  -6.334  10.781
  666   3HD1  ILE  86          3HD1      ILE  86  -2.651  -4.633  11.184
  667    H    VAL  87           HN       VAL  87  -3.465  -6.109   5.195
  668    HA   VAL  87           HA       VAL  87  -5.764  -4.856   4.200
  669    HB   VAL  87           HB       VAL  87  -3.906  -6.787   2.798
  670   1HG1  VAL  87          1HG1      VAL  87  -6.451  -6.049   1.955
  671   2HG1  VAL  87          2HG1      VAL  87  -5.371  -4.951   1.094
  672   3HG1  VAL  87          3HG1      VAL  87  -5.158  -6.695   0.945
  673   1HG2  VAL  87          1HG2      VAL  87  -3.756  -4.165   1.785
  674   2HG2  VAL  87          2HG2      VAL  87  -3.716  -4.038   3.543
  675   3HG2  VAL  87          3HG2      VAL  87  -2.535  -5.044   2.707
  676    H    ILE  88           HN       ILE  88  -5.015  -8.343   4.448
  677    HA   ILE  88           HA       ILE  88  -7.455  -9.230   3.382
  678    HB   ILE  88           HB       ILE  88  -5.605 -10.602   5.329
  679   1HG1  ILE  88          2HG1      ILE  88  -4.668 -10.139   3.094
  680   2HG1  ILE  88          3HG1      ILE  88  -4.898 -11.867   3.354
  681   1HG2  ILE  88          1HG2      ILE  88  -6.826 -12.583   5.125
  682   2HG2  ILE  88          2HG2      ILE  88  -8.075 -11.348   5.328
  683   3HG2  ILE  88          3HG2      ILE  88  -7.723 -11.995   3.722
  684   1HD1  ILE  88          1HD1      ILE  88  -6.075 -11.969   1.485
  685   2HD1  ILE  88          2HD1      ILE  88  -7.260 -10.861   2.174
  686   3HD1  ILE  88          3HD1      ILE  88  -5.891 -10.230   1.263
  687    H    GLU  89           HN       GLU  89  -6.506  -8.711   6.798
  688    HA   GLU  89           HA       GLU  89  -8.995  -9.532   7.832
  689   1HB   GLU  89          2HB       GLU  89  -6.998  -9.281   9.245
  690   2HB   GLU  89          3HB       GLU  89  -7.061  -7.536   9.027
  691   1HG   GLU  89          2HG       GLU  89  -9.218  -7.458  10.168
  692   2HG   GLU  89          3HG       GLU  89  -9.186  -9.212  10.349
  693    H    MET  90           HN       MET  90  -7.794  -6.235   7.158
  694    HA   MET  90           HA       MET  90 -10.165  -4.879   7.790
  695   1HB   MET  90          2HB       MET  90  -7.980  -4.147   5.841
  696   2HB   MET  90          3HB       MET  90  -9.277  -3.057   6.318
  697   1HG   MET  90          2HG       MET  90  -7.207  -4.274   8.128
  698   2HG   MET  90          3HG       MET  90  -7.264  -2.600   7.574
  699   1HE   MET  90          1HE       MET  90  -8.135  -2.378  11.402
  700   2HE   MET  90          2HE       MET  90  -7.025  -3.512  10.630
  701   3HE   MET  90          3HE       MET  90  -7.052  -1.822  10.124
  702    H    TYR  91           HN       TYR  91  -9.151  -6.476   4.865
  703    HA   TYR  91           HA       TYR  91 -11.199  -5.719   3.091
  704   1HB   TYR  91          2HB       TYR  91  -9.367  -6.886   2.209
  705   2HB   TYR  91          3HB       TYR  91  -9.393  -8.090   3.481
  706    HD1  TYR  91           1HD      TYR  91 -11.453  -6.956   0.562
  707    HD2  TYR  91           2HD      TYR  91 -10.138 -10.159   3.017
  708    HE1  TYR  91           1HE      TYR  91 -12.534  -8.534  -0.944
  709    HE2  TYR  91           2HE      TYR  91 -11.213 -11.765   1.530
  710    HH   TYR  91           HH       TYR  91 -13.233 -11.644  -0.156
  711    H    GLN  92           HN       GLN  92 -10.966  -8.471   5.317
  712    HA   GLN  92           HA       GLN  92 -13.579  -9.425   4.809
  713   1HB   GLN  92          2HB       GLN  92 -11.828  -9.851   7.237
  714   2HB   GLN  92          3HB       GLN  92 -13.249 -10.800   6.817
  715   1HG   GLN  92          2HG       GLN  92 -12.150 -11.528   4.750
  716   2HG   GLN  92          3HG       GLN  92 -10.723 -10.589   5.189
  717   1HE2  GLN  92          1HE2      GLN  92 -11.873 -13.595   5.072
  718   2HE2  GLN  92          2HE2      GLN  92 -10.983 -14.323   6.370
  719    H    ARG  93           HN       ARG  93 -12.242  -7.327   7.357
  720    HA   ARG  93           HA       ARG  93 -14.573  -6.964   8.870
  721   1HB   ARG  93          2HB       ARG  93 -12.404  -4.916   8.413
  722   2HB   ARG  93          3HB       ARG  93 -13.456  -5.059   9.808
  723   1HG   ARG  93          2HG       ARG  93 -11.311  -7.007   9.004
  724   2HG   ARG  93          3HG       ARG  93 -11.214  -5.831  10.313
  725   1HD   ARG  93          2HD       ARG  93 -11.703  -7.961  11.265
  726   2HD   ARG  93          3HD       ARG  93 -13.130  -6.954  11.370
  727    HE   ARG  93           HE       ARG  93 -13.344  -8.469   9.052
  728   1HH1  ARG  93          2HH1      ARG  93 -13.268  -8.944  12.506
  729   2HH1  ARG  93          1HH1      ARG  93 -14.303 -10.335  12.476
  730   1HH2  ARG  93          2HH2      ARG  93 -14.785 -10.263   8.995
  731   2HH2  ARG  93          1HH2      ARG  93 -15.184 -11.074  10.478
  732    H    GLY  94           HN       GLY  94 -13.427  -5.408   5.945
  733   1HA   GLY  94          1HA       GLY  94 -14.889  -4.323   4.399
  734   2HA   GLY  94          2HA       GLY  94 -15.981  -3.964   5.731
  735    H    GLU  95           HN       GLU  95 -13.616  -3.155   7.412
  736    HA   GLU  95           HA       GLU  95 -13.810  -0.418   7.045
  737   1HB   GLU  95          2HB       GLU  95 -11.594  -1.944   8.410
  738   2HB   GLU  95          3HB       GLU  95 -11.860  -0.212   8.553
  739   1HG   GLU  95          2HG       GLU  95 -14.128  -0.714   9.463
  740   2HG   GLU  95          3HG       GLU  95 -13.681  -2.419   9.476
  741    H    LEU  96           HN       LEU  96 -11.536  -2.628   5.586
  742    HA   LEU  96           HA       LEU  96  -9.558  -0.846   4.721
  743   1HB   LEU  96          2HB       LEU  96  -9.346  -3.280   4.532
  744   2HB   LEU  96          3HB       LEU  96 -10.606  -3.304   3.313
  745    HG   LEU  96           HG       LEU  96  -9.143  -1.947   1.831
  746   1HD1  LEU  96          1HD1      LEU  96  -7.545  -0.799   2.910
  747   2HD1  LEU  96          2HD1      LEU  96  -7.479  -1.949   4.246
  748   3HD1  LEU  96          3HD1      LEU  96  -6.615  -2.290   2.748
  749   1HD2  LEU  96          1HD2      LEU  96  -9.243  -4.377   1.636
  750   2HD2  LEU  96          2HD2      LEU  96  -7.630  -3.770   1.258
  751   3HD2  LEU  96          3HD2      LEU  96  -7.946  -4.527   2.821
  752    H    GLN  97           HN       GLN  97 -12.360  -2.037   2.943
  753    HA   GLN  97           HA       GLN  97 -12.103  -0.207   0.788
  754   1HB   GLN  97          2HB       GLN  97 -14.492  -0.841   0.286
  755   2HB   GLN  97          3HB       GLN  97 -13.321  -2.138   0.273
  756   1HG   GLN  97          2HG       GLN  97 -14.046  -2.739   2.565
  757   2HG   GLN  97          3HG       GLN  97 -15.297  -1.501   2.436
  758   1HE2  GLN  97          1HE2      GLN  97 -14.617  -4.702   2.044
  759   2HE2  GLN  97          2HE2      GLN  97 -15.906  -5.130   0.966
  760    H    GLN  98           HN       GLN  98 -13.514   0.013   3.908
  761    HA   GLN  98           HA       GLN  98 -15.240   2.217   3.442
  762   1HB   GLN  98          2HB       GLN  98 -13.794   1.307   5.939
  763   2HB   GLN  98          3HB       GLN  98 -14.986   2.581   5.917
  764   1HG   GLN  98          2HG       GLN  98 -15.483  -0.272   5.138
  765   2HG   GLN  98          3HG       GLN  98 -15.887   0.445   6.692
  766   1HE2  GLN  98          1HE2      GLN  98 -16.531   2.915   4.746
  767   2HE2  GLN  98          2HE2      GLN  98 -18.181   2.570   4.329
  768    H    LEU  99           HN       LEU  99 -11.890   1.903   4.491
  769    HA   LEU  99           HA       LEU  99 -11.328   4.686   4.636
  770   1HB   LEU  99          2HB       LEU  99  -9.363   2.462   4.074
  771   2HB   LEU  99          3HB       LEU  99  -9.028   4.016   4.814
  772    HG   LEU  99           HG       LEU  99 -10.605   1.751   6.045
  773   1HD1  LEU  99          1HD1      LEU  99  -8.161   1.402   5.907
  774   2HD1  LEU  99          2HD1      LEU  99  -7.918   2.900   6.809
  775   3HD1  LEU  99          3HD1      LEU  99  -8.747   1.539   7.565
  776   1HD2  LEU  99          1HD2      LEU  99  -9.755   4.295   7.415
  777   2HD2  LEU  99          2HD2      LEU  99 -11.320   4.141   6.616
  778   3HD2  LEU  99          3HD2      LEU  99 -10.908   3.076   7.961
  779    H    ILE 100           HN       ILE 100 -10.785   2.177   2.214
  780    HA   ILE 100           HA       ILE 100  -9.445   3.790   0.348
  781    HB   ILE 100           HB       ILE 100 -11.044   1.266  -0.094
  782   1HG1  ILE 100          2HG1      ILE 100  -9.058   1.110   1.441
  783   2HG1  ILE 100          3HG1      ILE 100  -8.911   0.124  -0.016
  784   1HG2  ILE 100          1HG2      ILE 100 -10.801   1.597  -2.277
  785   2HG2  ILE 100          2HG2      ILE 100  -9.901   3.090  -1.991
  786   3HG2  ILE 100          3HG2      ILE 100  -9.052   1.543  -2.058
  787   1HD1  ILE 100          1HD1      ILE 100  -7.610   2.149  -0.948
  788   2HD1  ILE 100          2HD1      ILE 100  -7.472   2.622   0.745
  789   3HD1  ILE 100          3HD1      ILE 100  -6.823   1.073   0.206
  790    H    LYS 101           HN       LYS 101 -12.891   3.012   0.700
  791    HA   LYS 101           HA       LYS 101 -13.916   4.219  -1.589
  792   1HB   LYS 101          2HB       LYS 101 -15.312   2.933  -0.036
  793   2HB   LYS 101          3HB       LYS 101 -15.079   4.156   1.209
  794   1HG   LYS 101          2HG       LYS 101 -16.070   5.768  -0.540
  795   2HG   LYS 101          3HG       LYS 101 -16.664   4.307  -1.304
  796   1HD   LYS 101          2HD       LYS 101 -18.387   5.203   0.134
  797   2HD   LYS 101          3HD       LYS 101 -17.781   3.694   0.826
  798   1HE   LYS 101          2HE       LYS 101 -16.423   4.895   2.403
  799   2HE   LYS 101          3HE       LYS 101 -16.809   6.431   1.633
  800   1HZ   LYS 101          1HZ       LYS 101 -18.095   5.342   3.769
  801   2HZ   LYS 101          2HZ       LYS 101 -19.154   5.011   2.484
  802   3HZ   LYS 101          3HZ       LYS 101 -18.673   6.604   2.800
  803    H    GLU 102           HN       GLU 102 -13.580   5.565   1.658
  804    HA   GLU 102           HA       GLU 102 -14.494   8.114   1.096
  805   1HB   GLU 102          2HB       GLU 102 -14.115   7.081   3.354
  806   2HB   GLU 102          3HB       GLU 102 -12.398   7.395   3.145
  807   1HG   GLU 102          2HG       GLU 102 -13.386   9.100   4.497
  808   2HG   GLU 102          3HG       GLU 102 -12.881   9.792   2.958
  809    H    THR 103           HN       THR 103 -11.231   6.829   1.125
  810    HA   THR 103           HA       THR 103  -9.906   9.229   0.448
  811    HB   THR 103           HB       THR 103  -8.995   6.379   0.197
  812    HG1  THR 103           1HG      THR 103  -9.307   6.684   2.321
  813   1HG2  THR 103          1HG2      THR 103  -6.782   7.221   0.109
  814   2HG2  THR 103          2HG2      THR 103  -7.335   8.866   0.416
  815   3HG2  THR 103          3HG2      THR 103  -7.707   8.080  -1.119
  816    H    ALA 104           HN       ALA 104 -10.744   6.378  -1.542
  817    HA   ALA 104           HA       ALA 104  -9.520   7.285  -3.877
  818   1HB   ALA 104          1HB       ALA 104 -11.777   5.837  -4.695
  819   2HB   ALA 104          2HB       ALA 104 -10.139   5.231  -4.460
  820   3HB   ALA 104          3HB       ALA 104 -11.304   5.153  -3.140
  821    H    ALA 105           HN       ALA 105 -12.828   7.743  -2.689
  822    HA   ALA 105           HA       ALA 105 -13.829   9.161  -4.898
  823   1HB   ALA 105          1HB       ALA 105 -15.630   9.831  -3.449
  824   2HB   ALA 105          2HB       ALA 105 -15.203   8.157  -3.094
  825   3HB   ALA 105          3HB       ALA 105 -14.670   9.449  -2.019
  826    H    LYS 106           HN       LYS 106 -12.299  10.333  -1.894
  827    HA   LYS 106           HA       LYS 106 -12.648  13.046  -2.622
  828   1HB   LYS 106          2HB       LYS 106 -11.187  13.585  -0.690
  829   2HB   LYS 106          3HB       LYS 106 -12.561  12.570  -0.301
  830   1HG   LYS 106          2HG       LYS 106 -10.890  11.610   0.923
  831   2HG   LYS 106          3HG       LYS 106 -10.881  10.626  -0.536
  832   1HD   LYS 106          2HD       LYS 106  -8.619  11.102   0.050
  833   2HD   LYS 106          3HD       LYS 106  -9.013  12.048  -1.386
  834   1HE   LYS 106          2HE       LYS 106  -9.314  14.033  -0.056
  835   2HE   LYS 106          3HE       LYS 106  -9.101  13.110   1.433
  836   1HZ   LYS 106          1HZ       LYS 106  -6.833  12.628   0.783
  837   2HZ   LYS 106          2HZ       LYS 106  -7.085  14.304   0.815
  838   3HZ   LYS 106          3HZ       LYS 106  -7.036  13.488  -0.665
  839    H    TYR 107           HN       TYR 107 -10.322  10.742  -3.613
  840    HA   TYR 107           HA       TYR 107  -8.525  12.911  -4.467
  841   1HB   TYR 107          2HB       TYR 107  -8.221   9.930  -4.563
  842   2HB   TYR 107          3HB       TYR 107  -7.218  10.975  -5.555
  843    HD1  TYR 107           1HD      TYR 107  -5.619  12.501  -4.504
  844    HD2  TYR 107           2HD      TYR 107  -7.816   9.661  -2.206
  845    HE1  TYR 107           1HE      TYR 107  -3.978  12.705  -2.691
  846    HE2  TYR 107           2HE      TYR 107  -6.207   9.886  -0.385
  847    HH   TYR 107           HH       TYR 107  -3.224  11.052  -0.693
  848    H    LYS 108           HN       LYS 108 -10.448  10.289  -5.850
  849    HA   LYS 108           HA       LYS 108 -10.008  11.360  -8.520
  850   1HB   LYS 108          2HB       LYS 108 -11.215   8.773  -7.619
  851   2HB   LYS 108          3HB       LYS 108 -10.821   9.205  -9.278
  852   1HG   LYS 108          2HG       LYS 108  -8.469   9.293  -8.749
  853   2HG   LYS 108          3HG       LYS 108  -8.815   8.952  -7.050
  854   1HD   LYS 108          2HD       LYS 108  -9.408   7.138  -9.382
  855   2HD   LYS 108          3HD       LYS 108  -8.098   6.935  -8.214
  856   1HE   LYS 108          2HE       LYS 108  -9.708   6.700  -6.417
  857   2HE   LYS 108          3HE       LYS 108 -11.032   6.978  -7.544
  858   1HZ   LYS 108          1HZ       LYS 108  -9.434   4.581  -7.122
  859   2HZ   LYS 108          2HZ       LYS 108  -9.848   4.930  -8.729
  860   3HZ   LYS 108          3HZ       LYS 108 -11.065   4.739  -7.565
  861    H    SER 109           HN       SER 109 -12.321   9.923  -9.427
  862    HA   SER 109           HA       SER 109 -14.460  11.804  -9.128
  863   1HB   SER 109          2HB       SER 109 -15.767   9.929 -10.246
  864   2HB   SER 109          3HB       SER 109 -14.390  10.533 -11.171
  865    HG   SER 109           HG       SER 109 -14.716   8.114 -10.830
  866    H    GLU 110           HN       GLU 110 -16.447  11.262  -7.967
  867    HA   GLU 110           HA       GLU 110 -15.890  10.434  -5.343
  868   1HB   GLU 110          2HB       GLU 110 -18.573  10.811  -6.678
  869   2HB   GLU 110          3HB       GLU 110 -18.308  10.701  -4.943
  870   1HG   GLU 110          2HG       GLU 110 -16.921  12.716  -5.033
  871   2HG   GLU 110          3HG       GLU 110 -17.220  12.836  -6.765
  872    H    GLU 111           HN       GLU 111 -14.978   8.295  -6.476
  873    HA   GLU 111           HA       GLU 111 -16.774   6.218  -7.054
  874   1HB   GLU 111          2HB       GLU 111 -13.858   6.262  -6.274
  875   2HB   GLU 111          3HB       GLU 111 -14.710   4.755  -6.670
  876   1HG   GLU 111          2HG       GLU 111 -15.341   5.803  -8.860
  877   2HG   GLU 111          3HG       GLU 111 -14.273   7.141  -8.454
  878    HA   PRO 112           HA       PRO 112 -17.924   5.177  -2.906
  879   1HB   PRO 112          2HB       PRO 112 -20.048   3.736  -3.552
  880   2HB   PRO 112          3HB       PRO 112 -20.046   5.492  -3.724
  881   1HG   PRO 112          2HG       PRO 112 -19.846   3.377  -5.803
  882   2HG   PRO 112          3HG       PRO 112 -20.546   5.000  -5.910
  883   1HD   PRO 112          2HD       PRO 112 -17.988   4.205  -6.804
  884   2HD   PRO 112          3HD       PRO 112 -18.603   5.861  -6.661
  885    H    ASP 113           HN       ASP 113 -15.775   3.783  -3.418
  886    HA   ASP 113           HA       ASP 113 -15.653   1.202  -4.188
  887   1HB   ASP 113          2HB       ASP 113 -14.314   2.362  -1.735
  888   2HB   ASP 113          3HB       ASP 113 -13.829   0.868  -2.528
  889    H    ALA 114           HN       ALA 114 -16.457   2.183  -0.874
  890    HA   ALA 114           HA       ALA 114 -17.588  -0.479  -0.409
  891   1HB   ALA 114          1HB       ALA 114 -16.671   1.603   1.573
  892   2HB   ALA 114          2HB       ALA 114 -17.427   0.064   1.993
  893   3HB   ALA 114          3HB       ALA 114 -15.859   0.086   1.184
  894    H    GLU 115           HN       GLU 115 -18.630   1.532   1.936
  895    HA   GLU 115           HA       GLU 115 -20.894   2.695   0.576
  896   1HB   GLU 115          2HB       GLU 115 -21.567   0.351   0.949
  897   2HB   GLU 115          3HB       GLU 115 -21.178   0.514   2.651
  898   1HG   GLU 115          2HG       GLU 115 -23.564   0.625   2.322
  899   2HG   GLU 115          3HG       GLU 115 -22.965   2.187   2.879
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  18.990   8.346   2.646
    2   2H    MET   1          2H        MET   1  17.952   7.048   3.001
    3   3H    MET   1          3H        MET   1  19.602   6.947   3.375
    4    HA   MET   1           HA       MET   1  17.590   7.764   5.044
    5   1HB   MET   1          2HB       MET   1  19.693   6.685   5.676
    6   2HB   MET   1          3HB       MET   1  20.591   8.123   5.210
    7   1HG   MET   1          2HG       MET   1  19.416   9.388   6.969
    8   2HG   MET   1          3HG       MET   1  18.607   7.902   7.461
    9   1HE   MET   1          1HE       MET   1  22.014   9.753   7.079
   10   2HE   MET   1          2HE       MET   1  23.155   8.613   7.792
   11   3HE   MET   1          3HE       MET   1  22.377   8.237   6.253
   12    H    SER   2           HN       SER   2  16.803   9.634   5.793
   13    HA   SER   2           HA       SER   2  16.341  11.840   6.028
   14   1HB   SER   2          2HB       SER   2  19.347  12.073   5.777
   15   2HB   SER   2          3HB       SER   2  18.273  13.285   6.477
   16    HG   SER   2           HG       SER   2  19.125  12.060   8.133
   17    H    THR   3           HN       THR   3  15.926  11.035   3.439
   18    HA   THR   3           HA       THR   3  15.617  13.442   2.139
   19    HB   THR   3           HB       THR   3  18.047  13.496   1.801
   20    HG1  THR   3           1HG      THR   3  17.001  14.470   0.152
   21   1HG2  THR   3          1HG2      THR   3  18.662  11.187   1.790
   22   2HG2  THR   3          2HG2      THR   3  19.083  11.847   0.209
   23   3HG2  THR   3          3HG2      THR   3  17.633  10.859   0.394
   24    H    THR   4           HN       THR   4  16.239  10.011   1.677
   25    HA   THR   4           HA       THR   4  14.713   9.629  -0.652
   26    HB   THR   4           HB       THR   4  14.654   7.237   0.124
   27    HG1  THR   4           1HG      THR   4  15.949   6.830   2.046
   28   1HG2  THR   4          1HG2      THR   4  16.644   7.061  -0.880
   29   2HG2  THR   4          2HG2      THR   4  17.456   7.733   0.536
   30   3HG2  THR   4          3HG2      THR   4  16.837   8.805  -0.722
   31    H    ILE   5           HN       ILE   5  13.910   9.095   2.776
   32    HA   ILE   5           HA       ILE   5  11.218   8.400   2.400
   33    HB   ILE   5           HB       ILE   5  12.700   9.497   4.772
   34   1HG1  ILE   5          2HG1      ILE   5  11.253   6.887   4.366
   35   2HG1  ILE   5          3HG1      ILE   5  12.956   7.100   3.965
   36   1HG2  ILE   5          1HG2      ILE   5   9.820   8.626   4.807
   37   2HG2  ILE   5          2HG2      ILE   5  10.761   9.313   6.134
   38   3HG2  ILE   5          3HG2      ILE   5  10.321  10.318   4.750
   39   1HD1  ILE   5          1HD1      ILE   5  12.259   6.075   6.246
   40   2HD1  ILE   5          2HD1      ILE   5  13.579   7.243   6.182
   41   3HD1  ILE   5          3HD1      ILE   5  11.975   7.755   6.705
   42    H    GLU   6           HN       GLU   6  12.774  11.541   2.708
   43    HA   GLU   6           HA       GLU   6  10.484  13.122   3.022
   44   1HB   GLU   6          2HB       GLU   6  13.041  13.757   1.534
   45   2HB   GLU   6          3HB       GLU   6  11.837  14.938   2.038
   46   1HG   GLU   6          2HG       GLU   6  13.463  13.178   3.859
   47   2HG   GLU   6          3HG       GLU   6  13.717  14.903   3.572
   48    H    LYS   7           HN       LYS   7  12.123  11.969   0.101
   49    HA   LYS   7           HA       LYS   7  10.210  13.025  -1.738
   50   1HB   LYS   7          2HB       LYS   7  12.160  10.734  -2.049
   51   2HB   LYS   7          3HB       LYS   7  11.257  11.481  -3.357
   52   1HG   LYS   7          2HG       LYS   7  12.408  13.597  -2.945
   53   2HG   LYS   7          3HG       LYS   7  13.318  12.840  -1.635
   54   1HD   LYS   7          2HD       LYS   7  14.292  11.257  -3.223
   55   2HD   LYS   7          3HD       LYS   7  13.378  12.002  -4.534
   56   1HE   LYS   7          2HE       LYS   7  15.676  12.798  -4.517
   57   2HE   LYS   7          3HE       LYS   7  14.555  14.109  -4.158
   58   1HZ   LYS   7          1HZ       LYS   7  16.021  12.577  -2.081
   59   2HZ   LYS   7          2HZ       LYS   7  15.104  13.987  -1.860
   60   3HZ   LYS   7          3HZ       LYS   7  16.559  14.052  -2.724
   61    H    ILE   8           HN       ILE   8  10.684   9.883  -0.171
   62    HA   ILE   8           HA       ILE   8   8.718   8.463  -1.511
   63    HB   ILE   8           HB       ILE   8   9.901   8.106   1.233
   64   1HG1  ILE   8          2HG1      ILE   8  10.269   6.613  -1.372
   65   2HG1  ILE   8          3HG1      ILE   8  11.377   7.820  -0.731
   66   1HG2  ILE   8          1HG2      ILE   8   8.700   5.723   0.228
   67   2HG2  ILE   8          2HG2      ILE   8   8.436   6.554   1.763
   68   3HG2  ILE   8          3HG2      ILE   8   7.492   7.003   0.341
   69   1HD1  ILE   8          1HD1      ILE   8  11.005   5.005   0.003
   70   2HD1  ILE   8          2HD1      ILE   8  12.450   6.015   0.049
   71   3HD1  ILE   8          3HD1      ILE   8  11.263   6.115   1.349
   72    H    GLN   9           HN       GLN   9   8.403  10.245   1.590
   73    HA   GLN   9           HA       GLN   9   5.700   9.559   1.956
   74   1HB   GLN   9          2HB       GLN   9   7.308  11.880   2.989
   75   2HB   GLN   9          3HB       GLN   9   5.618  11.649   3.416
   76   1HG   GLN   9          2HG       GLN   9   6.200   9.446   4.358
   77   2HG   GLN   9          3HG       GLN   9   7.895   9.773   3.998
   78   1HE2  GLN   9          1HE2      GLN   9   8.941  10.278   5.769
   79   2HE2  GLN   9          2HE2      GLN   9   8.367  11.298   7.042
   80    H    ARG  10           HN       ARG  10   7.203  12.198   0.255
   81    HA   ARG  10           HA       ARG  10   4.850  13.598  -0.436
   82   1HB   ARG  10          2HB       ARG  10   7.461  13.303  -1.928
   83   2HB   ARG  10          3HB       ARG  10   6.198  14.448  -2.345
   84   1HG   ARG  10          2HG       ARG  10   7.619  14.425   0.305
   85   2HG   ARG  10          3HG       ARG  10   8.129  15.395  -1.076
   86   1HD   ARG  10          2HD       ARG  10   6.833  16.771   0.390
   87   2HD   ARG  10          3HD       ARG  10   5.907  16.480  -1.076
   88    HE   ARG  10           HE       ARG  10   5.188  14.601   0.904
   89   1HH1  ARG  10          2HH1      ARG  10   4.915  17.987   0.123
   90   2HH1  ARG  10          1HH1      ARG  10   3.396  18.195   0.946
   91   1HH2  ARG  10          2HH2      ARG  10   3.154  14.849   1.982
   92   2HH2  ARG  10          1HH2      ARG  10   2.388  16.406   1.984
   93    H    GLN  11           HN       GLN  11   6.529  10.843  -1.858
   94    HA   GLN  11           HA       GLN  11   4.892  10.725  -4.192
   95   1HB   GLN  11          2HB       GLN  11   7.137   9.786  -4.190
   96   2HB   GLN  11          3HB       GLN  11   6.665   8.615  -2.962
   97   1HG   GLN  11          2HG       GLN  11   5.105   7.588  -4.492
   98   2HG   GLN  11          3HG       GLN  11   5.481   8.795  -5.720
   99   1HE2  GLN  11          1HE2      GLN  11   6.791   8.135  -7.210
  100   2HE2  GLN  11          2HE2      GLN  11   8.028   6.929  -7.047
  101    H    ILE  12           HN       ILE  12   4.859   8.977  -1.138
  102    HA   ILE  12           HA       ILE  12   2.867   7.116  -1.791
  103    HB   ILE  12           HB       ILE  12   3.457   8.316   0.927
  104   1HG1  ILE  12          2HG1      ILE  12   4.511   5.821  -0.428
  105   2HG1  ILE  12          3HG1      ILE  12   5.442   7.246   0.033
  106   1HG2  ILE  12          1HG2      ILE  12   1.986   5.786   0.210
  107   2HG2  ILE  12          2HG2      ILE  12   2.392   6.317   1.842
  108   3HG2  ILE  12          3HG2      ILE  12   1.266   7.260   0.861
  109   1HD1  ILE  12          1HD1      ILE  12   5.980   5.868   1.736
  110   2HD1  ILE  12          2HD1      ILE  12   4.549   6.641   2.422
  111   3HD1  ILE  12          3HD1      ILE  12   4.425   5.032   1.707
  112    H    ALA  13           HN       ALA  13   2.714  10.333  -0.457
  113    HA   ALA  13           HA       ALA  13  -0.064  10.534  -0.067
  114   1HB   ALA  13          1HB       ALA  13   2.202  12.249   0.086
  115   2HB   ALA  13          2HB       ALA  13   0.931  13.068  -0.824
  116   3HB   ALA  13          3HB       ALA  13   0.602  12.460   0.800
  117    H    GLU  14           HN       GLU  14   1.961  11.038  -2.919
  118    HA   GLU  14           HA       GLU  14   0.146  12.376  -4.555
  119   1HB   GLU  14          2HB       GLU  14   2.185  10.330  -5.458
  120   2HB   GLU  14          3HB       GLU  14   1.470  11.601  -6.441
  121   1HG   GLU  14          2HG       GLU  14   2.535  13.269  -4.976
  122   2HG   GLU  14          3HG       GLU  14   3.296  11.964  -4.091
  123    H    ASN  15           HN       ASN  15   0.717   8.909  -4.163
  124    HA   ASN  15           HA       ASN  15  -1.432   8.216  -5.956
  125   1HB   ASN  15          2HB       ASN  15   0.227   6.518  -4.081
  126   2HB   ASN  15          3HB       ASN  15  -0.939   5.889  -5.243
  127   1HD2  ASN  15          1HD2      ASN  15   2.245   6.526  -4.742
  128   2HD2  ASN  15          2HD2      ASN  15   2.786   6.616  -6.380
  129    HA   PRO  16           HA       PRO  16  -4.604   8.766  -2.892
  130   1HB   PRO  16          2HB       PRO  16  -6.121   7.041  -4.774
  131   2HB   PRO  16          3HB       PRO  16  -6.524   8.649  -4.164
  132   1HG   PRO  16          2HG       PRO  16  -5.717   8.313  -6.674
  133   2HG   PRO  16          3HG       PRO  16  -5.168   9.710  -5.728
  134   1HD   PRO  16          2HD       PRO  16  -3.715   7.176  -6.383
  135   2HD   PRO  16          3HD       PRO  16  -3.114   8.847  -6.361
  136    H    ILE  17           HN       ILE  17  -4.173   5.648  -4.493
  137    HA   ILE  17           HA       ILE  17  -4.534   4.320  -1.886
  138    HB   ILE  17           HB       ILE  17  -5.383   3.144  -4.542
  139   1HG1  ILE  17          2HG1      ILE  17  -6.776   5.112  -4.143
  140   2HG1  ILE  17          3HG1      ILE  17  -7.708   3.636  -3.945
  141   1HG2  ILE  17          1HG2      ILE  17  -4.997   1.456  -2.943
  142   2HG2  ILE  17          2HG2      ILE  17  -5.828   2.363  -1.674
  143   3HG2  ILE  17          3HG2      ILE  17  -6.749   1.672  -3.019
  144   1HD1  ILE  17          1HD1      ILE  17  -6.744   4.287  -1.393
  145   2HD1  ILE  17          2HD1      ILE  17  -7.285   5.816  -2.108
  146   3HD1  ILE  17          3HD1      ILE  17  -8.397   4.442  -1.989
  147    H    LEU  18           HN       LEU  18  -2.658   3.300  -1.389
  148    HA   LEU  18           HA       LEU  18  -0.950   2.527  -3.656
  149   1HB   LEU  18          2HB       LEU  18  -0.409   4.731  -2.579
  150   2HB   LEU  18          3HB       LEU  18  -0.012   3.849  -1.121
  151    HG   LEU  18           HG       LEU  18   1.792   2.686  -2.300
  152   1HD1  LEU  18          1HD1      LEU  18   0.486   2.996  -4.556
  153   2HD1  LEU  18          2HD1      LEU  18   1.436   4.480  -4.656
  154   3HD1  LEU  18          3HD1      LEU  18   2.248   2.919  -4.539
  155   1HD2  LEU  18          1HD2      LEU  18   3.245   4.657  -2.634
  156   2HD2  LEU  18          2HD2      LEU  18   1.822   5.697  -2.608
  157   3HD2  LEU  18          3HD2      LEU  18   2.278   4.793  -1.163
  158    H    LEU  19           HN       LEU  19   0.261   0.762  -3.468
  159    HA   LEU  19           HA       LEU  19   0.122  -0.799  -0.981
  160   1HB   LEU  19          2HB       LEU  19  -1.546  -1.788  -2.270
  161   2HB   LEU  19          3HB       LEU  19  -0.691  -1.504  -3.771
  162    HG   LEU  19           HG       LEU  19   0.904  -3.280  -3.197
  163   1HD1  LEU  19          1HD1      LEU  19  -0.265  -3.048  -0.608
  164   2HD1  LEU  19          2HD1      LEU  19  -0.596  -4.674  -1.212
  165   3HD1  LEU  19          3HD1      LEU  19   1.067  -4.087  -1.121
  166   1HD2  LEU  19          1HD2      LEU  19  -0.540  -5.087  -3.729
  167   2HD2  LEU  19          2HD2      LEU  19  -1.936  -4.258  -3.041
  168   3HD2  LEU  19          3HD2      LEU  19  -1.184  -3.643  -4.513
  169    H    TYR  20           HN       TYR  20   2.156  -1.191  -0.339
  170    HA   TYR  20           HA       TYR  20   4.252  -1.405  -2.384
  171   1HB   TYR  20          2HB       TYR  20   4.305  -0.902   0.570
  172   2HB   TYR  20          3HB       TYR  20   5.746  -1.482  -0.260
  173    HD1  TYR  20           1HD      TYR  20   7.273   0.112  -0.760
  174    HD2  TYR  20           2HD      TYR  20   3.159   1.203  -0.826
  175    HE1  TYR  20           1HE      TYR  20   7.911   2.406  -1.351
  176    HE2  TYR  20           2HE      TYR  20   3.785   3.500  -1.425
  177    HH   TYR  20           HH       TYR  20   6.724   4.383  -2.584
  178    H    MET  21           HN       MET  21   4.710  -3.374  -3.081
  179    HA   MET  21           HA       MET  21   5.202  -5.412  -1.133
  180   1HB   MET  21          2HB       MET  21   3.855  -7.101  -2.531
  181   2HB   MET  21          3HB       MET  21   3.059  -6.118  -1.322
  182   1HG   MET  21          2HG       MET  21   1.716  -6.278  -3.302
  183   2HG   MET  21          3HG       MET  21   2.271  -4.624  -3.081
  184   1HE   MET  21          1HE       MET  21   0.914  -5.834  -5.487
  185   2HE   MET  21          2HE       MET  21   1.506  -4.198  -5.784
  186   3HE   MET  21          3HE       MET  21   1.864  -5.488  -6.932
  187    H    LYS  22           HN       LYS  22   5.223  -7.592  -3.085
  188    HA   LYS  22           HA       LYS  22   7.916  -7.009  -4.013
  189   1HB   LYS  22          2HB       LYS  22   7.145  -9.003  -2.540
  190   2HB   LYS  22          3HB       LYS  22   6.549  -9.698  -4.035
  191   1HG   LYS  22          2HG       LYS  22   9.413  -8.922  -3.526
  192   2HG   LYS  22          3HG       LYS  22   8.762 -10.544  -3.332
  193   1HD   LYS  22          2HD       LYS  22   8.192 -10.583  -5.717
  194   2HD   LYS  22          3HD       LYS  22   8.878  -8.965  -5.897
  195   1HE   LYS  22          2HE       LYS  22  10.453 -10.717  -6.595
  196   2HE   LYS  22          3HE       LYS  22  11.058  -9.781  -5.231
  197   1HZ   LYS  22          1HZ       LYS  22  11.162 -11.592  -3.972
  198   2HZ   LYS  22          2HZ       LYS  22  10.890 -12.506  -5.377
  199   3HZ   LYS  22          3HZ       LYS  22   9.589 -12.082  -4.378
  200    H    GLY  23           HN       GLY  23   7.734  -5.985  -5.947
  201   1HA   GLY  23          1HA       GLY  23   5.883  -6.996  -7.953
  202   2HA   GLY  23          2HA       GLY  23   6.817  -5.509  -8.045
  203    H    SER  24           HN       SER  24   7.187  -9.030  -8.099
  204    HA   SER  24           HA       SER  24   9.708  -8.888  -9.500
  205   1HB   SER  24          2HB       SER  24   9.223 -10.714  -7.911
  206   2HB   SER  24          3HB       SER  24   7.883 -11.242  -8.929
  207    HG   SER  24           HG       SER  24  10.565 -11.716  -9.172
  208    HA   PRO  25           HA       PRO  25   8.165  -8.581 -13.656
  209   1HB   PRO  25          2HB       PRO  25  10.166 -10.681 -14.325
  210   2HB   PRO  25          3HB       PRO  25   9.930  -9.084 -15.042
  211   1HG   PRO  25          2HG       PRO  25  11.976  -9.541 -13.399
  212   2HG   PRO  25          3HG       PRO  25  11.092  -8.003 -13.344
  213   1HD   PRO  25          2HD       PRO  25  10.939 -10.350 -11.497
  214   2HD   PRO  25          3HD       PRO  25  10.867  -8.614 -11.126
  215    H    LYS  26           HN       LYS  26   8.892 -11.814 -12.412
  216    HA   LYS  26           HA       LYS  26   7.099 -13.191 -14.141
  217   1HB   LYS  26          2HB       LYS  26   7.523 -15.136 -12.722
  218   2HB   LYS  26          3HB       LYS  26   9.014 -14.323 -13.166
  219   1HG   LYS  26          2HG       LYS  26   8.982 -13.217 -10.925
  220   2HG   LYS  26          3HG       LYS  26   7.615 -14.252 -10.506
  221   1HD   LYS  26          2HD       LYS  26  10.368 -15.181 -11.328
  222   2HD   LYS  26          3HD       LYS  26   9.713 -15.198  -9.691
  223   1HE   LYS  26          2HE       LYS  26   8.578 -16.732 -12.027
  224   2HE   LYS  26          3HE       LYS  26   9.644 -17.408 -10.799
  225   1HZ   LYS  26          1HZ       LYS  26   7.155 -17.750 -10.522
  226   2HZ   LYS  26          2HZ       LYS  26   7.087 -16.121 -10.065
  227   3HZ   LYS  26          3HZ       LYS  26   8.021 -17.209  -9.170
  228    H    LEU  27           HN       LEU  27   6.754 -11.651 -11.021
  229    HA   LEU  27           HA       LEU  27   3.871 -11.862 -11.196
  230   1HB   LEU  27          2HB       LEU  27   4.536 -13.976 -10.059
  231   2HB   LEU  27          3HB       LEU  27   5.349 -13.015  -8.830
  232    HG   LEU  27           HG       LEU  27   3.173 -12.038  -8.179
  233   1HD1  LEU  27          1HD1      LEU  27   1.707 -12.079  -9.914
  234   2HD1  LEU  27          2HD1      LEU  27   2.253 -13.655 -10.487
  235   3HD1  LEU  27          3HD1      LEU  27   1.191 -13.547  -9.084
  236   1HD2  LEU  27          1HD2      LEU  27   2.317 -14.712  -7.820
  237   2HD2  LEU  27          2HD2      LEU  27   4.079 -14.699  -7.761
  238   3HD2  LEU  27          3HD2      LEU  27   3.154 -13.664  -6.674
  239    HA   PRO  28           HA       PRO  28   4.898  -7.866  -9.425
  240   1HB   PRO  28          2HB       PRO  28   2.354  -6.901  -9.465
  241   2HB   PRO  28          3HB       PRO  28   3.416  -6.894 -10.869
  242   1HG   PRO  28          2HG       PRO  28   1.186  -8.730 -10.148
  243   2HG   PRO  28          3HG       PRO  28   1.666  -8.115 -11.740
  244   1HD   PRO  28          2HD       PRO  28   2.244 -10.611 -10.853
  245   2HD   PRO  28          3HD       PRO  28   3.248  -9.732 -12.017
  246    H    SER  29           HN       SER  29   3.963 -10.316  -7.769
  247    HA   SER  29           HA       SER  29   3.929  -8.917  -5.356
  248   1HB   SER  29          2HB       SER  29   1.740  -9.892  -4.521
  249   2HB   SER  29          3HB       SER  29   1.654  -8.495  -5.585
  250    HG   SER  29           HG       SER  29   1.094  -9.867  -7.269
  251    H    CYS  30           HN       CYS  30   5.633 -10.658  -6.293
  252    HA   CYS  30           HA       CYS  30   5.218 -13.371  -5.535
  253   1HB   CYS  30          2HB       CYS  30   6.862 -12.633  -7.229
  254   2HB   CYS  30          3HB       CYS  30   7.780 -11.858  -5.948
  255    HG   CYS  30           HG       CYS  30   7.185 -15.216  -5.934
  256    H    GLY  31           HN       GLY  31   4.324 -12.337  -3.402
  257   1HA   GLY  31          1HA       GLY  31   6.115 -13.120  -1.291
  258   2HA   GLY  31          2HA       GLY  31   5.776 -11.392  -1.302
  259    H    PHE  32           HN       PHE  32   4.469 -11.199   0.506
  260    HA   PHE  32           HA       PHE  32   2.331 -13.085   0.914
  261   1HB   PHE  32          2HB       PHE  32   3.116 -10.576   2.356
  262   2HB   PHE  32          3HB       PHE  32   1.599 -11.398   2.693
  263    HD1  PHE  32           1HD      PHE  32   1.495 -13.107   4.180
  264    HD2  PHE  32           2HD      PHE  32   5.276 -11.959   2.582
  265    HE1  PHE  32           1HE      PHE  32   2.629 -14.590   5.796
  266    HE2  PHE  32           2HE      PHE  32   6.413 -13.455   4.179
  267    HZ   PHE  32           HZ       PHE  32   5.087 -14.769   5.789
  268    H    SER  33           HN       SER  33   2.563  -9.699  -0.086
  269    HA   SER  33           HA       SER  33  -0.101  -9.089  -0.125
  270   1HB   SER  33          2HB       SER  33   1.653  -7.452  -0.517
  271   2HB   SER  33          3HB       SER  33   1.954  -8.156  -2.100
  272    HG   SER  33           HG       SER  33  -0.409  -7.690  -2.431
  273    H    ALA  34           HN       ALA  34   1.315 -11.474  -1.995
  274    HA   ALA  34           HA       ALA  34  -0.163 -11.552  -4.353
  275   1HB   ALA  34          1HB       ALA  34   0.996 -13.637  -2.554
  276   2HB   ALA  34          2HB       ALA  34  -0.050 -14.115  -3.891
  277   3HB   ALA  34          3HB       ALA  34   1.433 -13.215  -4.210
  278    H    GLN  35           HN       GLN  35  -1.065 -12.513  -1.033
  279    HA   GLN  35           HA       GLN  35  -3.770 -13.099  -1.863
  280   1HB   GLN  35          2HB       GLN  35  -3.903 -13.030   0.883
  281   2HB   GLN  35          3HB       GLN  35  -3.733 -14.460  -0.107
  282   1HG   GLN  35          2HG       GLN  35  -2.172 -14.692   1.581
  283   2HG   GLN  35          3HG       GLN  35  -1.228 -14.141   0.209
  284   1HE2  GLN  35          1HE2      GLN  35  -2.704 -11.408   1.074
  285   2HE2  GLN  35          2HE2      GLN  35  -1.520 -10.795   2.182
  286    H    ALA  36           HN       ALA  36  -2.057 -10.437  -0.476
  287    HA   ALA  36           HA       ALA  36  -4.241  -9.109   0.673
  288   1HB   ALA  36          1HB       ALA  36  -1.715  -7.816  -0.341
  289   2HB   ALA  36          2HB       ALA  36  -2.808  -7.212   0.908
  290   3HB   ALA  36          3HB       ALA  36  -1.852  -8.667   1.199
  291    H    VAL  37           HN       VAL  37  -2.779  -8.792  -2.535
  292    HA   VAL  37           HA       VAL  37  -4.027  -6.524  -3.390
  293    HB   VAL  37           HB       VAL  37  -3.592  -7.259  -5.645
  294   1HG1  VAL  37          1HG1      VAL  37  -1.276  -7.342  -5.514
  295   2HG1  VAL  37          2HG1      VAL  37  -1.767  -6.564  -4.009
  296   3HG1  VAL  37          3HG1      VAL  37  -1.318  -8.270  -4.014
  297   1HG2  VAL  37          1HG2      VAL  37  -2.854  -9.431  -6.258
  298   2HG2  VAL  37          2HG2      VAL  37  -2.796  -9.941  -4.569
  299   3HG2  VAL  37          3HG2      VAL  37  -4.350  -9.625  -5.343
  300    H    GLN  38           HN       GLN  38  -5.309  -9.827  -3.540
  301    HA   GLN  38           HA       GLN  38  -7.615  -9.345  -5.026
  302   1HB   GLN  38          2HB       GLN  38  -7.263 -11.326  -2.764
  303   2HB   GLN  38          3HB       GLN  38  -8.640 -11.283  -3.842
  304   1HG   GLN  38          2HG       GLN  38  -7.216 -13.020  -4.560
  305   2HG   GLN  38          3HG       GLN  38  -7.094 -11.721  -5.732
  306   1HE2  GLN  38          1HE2      GLN  38  -5.509 -10.988  -2.931
  307   2HE2  GLN  38          2HE2      GLN  38  -3.899 -11.441  -3.427
  308    H    ALA  39           HN       ALA  39  -7.088  -9.200  -1.531
  309    HA   ALA  39           HA       ALA  39  -9.697  -8.568  -0.765
  310   1HB   ALA  39          1HB       ALA  39  -8.473  -9.053   1.074
  311   2HB   ALA  39          2HB       ALA  39  -7.012  -8.289   0.443
  312   3HB   ALA  39          3HB       ALA  39  -8.301  -7.296   1.130
  313    H    LEU  40           HN       LEU  40  -6.989  -6.463  -1.624
  314    HA   LEU  40           HA       LEU  40  -8.241  -4.004  -1.079
  315   1HB   LEU  40          2HB       LEU  40  -5.773  -4.756  -1.762
  316   2HB   LEU  40          3HB       LEU  40  -6.339  -4.244  -3.332
  317    HG   LEU  40           HG       LEU  40  -6.122  -2.544  -0.852
  318   1HD1  LEU  40          1HD1      LEU  40  -4.284  -1.577  -1.759
  319   2HD1  LEU  40          2HD1      LEU  40  -4.122  -3.195  -2.445
  320   3HD1  LEU  40          3HD1      LEU  40  -4.796  -1.886  -3.419
  321   1HD2  LEU  40          1HD2      LEU  40  -6.649  -0.977  -3.151
  322   2HD2  LEU  40          2HD2      LEU  40  -7.898  -2.218  -3.037
  323   3HD2  LEU  40          3HD2      LEU  40  -7.608  -1.132  -1.676
  324    H    ALA  41           HN       ALA  41  -7.680  -5.666  -4.161
  325    HA   ALA  41           HA       ALA  41  -9.143  -3.924  -5.788
  326   1HB   ALA  41          1HB       ALA  41  -9.336  -6.168  -7.204
  327   2HB   ALA  41          2HB       ALA  41  -7.821  -5.276  -7.059
  328   3HB   ALA  41          3HB       ALA  41  -8.109  -6.695  -6.050
  329    H    ALA  42           HN       ALA  42 -10.039  -6.706  -3.869
  330    HA   ALA  42           HA       ALA  42 -12.676  -6.958  -4.969
  331   1HB   ALA  42          1HB       ALA  42 -11.638  -7.901  -2.302
  332   2HB   ALA  42          2HB       ALA  42 -13.179  -8.366  -3.026
  333   3HB   ALA  42          3HB       ALA  42 -11.664  -8.821  -3.807
  334    H    CYS  43           HN       CYS  43 -11.450  -5.350  -2.051
  335    HA   CYS  43           HA       CYS  43 -14.052  -4.621  -1.189
  336   1HB   CYS  43          2HB       CYS  43 -12.877  -3.366   0.574
  337   2HB   CYS  43          3HB       CYS  43 -12.283  -5.007   0.408
  338    HG   CYS  43           HG       CYS  43  -9.894  -4.400  -0.673
  339    H    GLY  44           HN       GLY  44 -11.351  -2.573  -2.382
  340   1HA   GLY  44          1HA       GLY  44 -13.297  -0.404  -2.742
  341   2HA   GLY  44          2HA       GLY  44 -11.551  -0.222  -2.707
  342    H    GLU  45           HN       GLU  45 -11.355   0.893  -4.606
  343    HA   GLU  45           HA       GLU  45 -12.295  -0.444  -7.045
  344   1HB   GLU  45          2HB       GLU  45 -11.968   1.621  -8.223
  345   2HB   GLU  45          3HB       GLU  45 -12.884   1.964  -6.765
  346   1HG   GLU  45          2HG       GLU  45 -10.983   2.927  -5.703
  347   2HG   GLU  45          3HG       GLU  45  -9.915   2.375  -6.994
  348    H    ARG  46           HN       ARG  46 -10.311   0.976  -8.660
  349    HA   ARG  46           HA       ARG  46  -8.144  -0.871  -8.470
  350   1HB   ARG  46          2HB       ARG  46  -7.122   0.602 -10.306
  351   2HB   ARG  46          3HB       ARG  46  -8.538  -0.368 -10.673
  352   1HG   ARG  46          2HG       ARG  46  -8.732   1.819 -11.638
  353   2HG   ARG  46          3HG       ARG  46  -9.948   1.575 -10.387
  354   1HD   ARG  46          2HD       ARG  46  -8.504   2.817  -8.814
  355   2HD   ARG  46          3HD       ARG  46  -7.392   3.144 -10.144
  356    HE   ARG  46           HE       ARG  46  -9.873   4.461  -9.590
  357   1HH1  ARG  46          2HH1      ARG  46  -7.637   3.643 -12.173
  358   2HH1  ARG  46          1HH1      ARG  46  -8.306   4.800 -13.280
  359   1HH2  ARG  46          2HH2      ARG  46 -10.745   5.974 -11.067
  360   2HH2  ARG  46          1HH2      ARG  46 -10.058   6.113 -12.657
  361    H    PHE  47           HN       PHE  47  -5.916  -0.321  -8.234
  362    HA   PHE  47           HA       PHE  47  -5.451   1.981  -6.462
  363   1HB   PHE  47          2HB       PHE  47  -4.539   0.518  -4.750
  364   2HB   PHE  47          3HB       PHE  47  -6.187   0.040  -5.123
  365    HD1  PHE  47           1HD      PHE  47  -6.679  -2.167  -5.634
  366    HD2  PHE  47           2HD      PHE  47  -2.637  -0.828  -5.882
  367    HE1  PHE  47           1HE      PHE  47  -5.927  -4.491  -5.935
  368    HE2  PHE  47           2HE      PHE  47  -1.886  -3.149  -6.189
  369    HZ   PHE  47           HZ       PHE  47  -3.532  -4.983  -6.221
  370    H    ALA  48           HN       ALA  48  -3.176   2.350  -6.010
  371    HA   ALA  48           HA       ALA  48  -1.443   1.468  -8.206
  372   1HB   ALA  48          1HB       ALA  48   0.082   3.301  -7.302
  373   2HB   ALA  48          2HB       ALA  48  -1.396   3.804  -8.122
  374   3HB   ALA  48          3HB       ALA  48  -1.313   3.826  -6.359
  375    H    TYR  49           HN       TYR  49   0.681   0.692  -7.744
  376    HA   TYR  49           HA       TYR  49   1.068  -0.240  -4.982
  377   1HB   TYR  49          2HB       TYR  49   1.250  -2.478  -5.581
  378   2HB   TYR  49          3HB       TYR  49  -0.045  -1.951  -6.645
  379    HD1  TYR  49           1HD      TYR  49   3.576  -2.620  -6.482
  380    HD2  TYR  49           2HD      TYR  49   0.172  -2.235  -8.994
  381    HE1  TYR  49           1HE      TYR  49   4.893  -3.479  -8.359
  382    HE2  TYR  49           2HE      TYR  49   1.477  -3.113 -10.895
  383    HH   TYR  49           HH       TYR  49   4.836  -3.349 -10.875
  384    H    VAL  50           HN       VAL  50   3.275  -0.792  -4.530
  385    HA   VAL  50           HA       VAL  50   5.235   0.139  -6.512
  386    HB   VAL  50           HB       VAL  50   5.361   0.735  -3.536
  387   1HG1  VAL  50          1HG1      VAL  50   7.239   2.262  -4.318
  388   2HG1  VAL  50          2HG1      VAL  50   7.564   0.527  -4.337
  389   3HG1  VAL  50          3HG1      VAL  50   7.187   1.372  -5.840
  390   1HG2  VAL  50          1HG2      VAL  50   5.295   3.168  -4.632
  391   2HG2  VAL  50          2HG2      VAL  50   4.334   2.308  -5.834
  392   3HG2  VAL  50          3HG2      VAL  50   3.835   2.308  -4.143
  393    H    ASP  51           HN       ASP  51   6.837  -1.260  -6.805
  394    HA   ASP  51           HA       ASP  51   6.958  -3.613  -5.139
  395   1HB   ASP  51          2HB       ASP  51   8.771  -4.343  -6.690
  396   2HB   ASP  51          3HB       ASP  51   7.234  -4.017  -7.472
  397    H    ILE  52           HN       ILE  52   8.362  -4.057  -3.611
  398    HA   ILE  52           HA       ILE  52  10.653  -2.335  -3.149
  399    HB   ILE  52           HB       ILE  52   9.783  -2.324  -0.631
  400   1HG1  ILE  52          2HG1      ILE  52   7.351  -1.593  -0.750
  401   2HG1  ILE  52          3HG1      ILE  52   7.330  -2.316  -2.356
  402   1HG2  ILE  52          1HG2      ILE  52  10.148  -0.474  -2.669
  403   2HG2  ILE  52          2HG2      ILE  52   8.577  -0.096  -1.956
  404   3HG2  ILE  52          3HG2      ILE  52  10.013  -0.166  -0.933
  405   1HD1  ILE  52          1HD1      ILE  52   7.275  -3.562   0.272
  406   2HD1  ILE  52          2HD1      ILE  52   6.649  -4.127  -1.277
  407   3HD1  ILE  52          3HD1      ILE  52   8.358  -4.331  -0.890
  408    H    LEU  53           HN       LEU  53   8.895  -5.283  -2.280
  409    HA   LEU  53           HA       LEU  53  11.120  -6.366  -0.807
  410   1HB   LEU  53          2HB       LEU  53   8.878  -7.863  -2.193
  411   2HB   LEU  53          3HB       LEU  53  10.131  -8.606  -1.228
  412    HG   LEU  53           HG       LEU  53   8.457  -8.557   0.290
  413   1HD1  LEU  53          1HD1      LEU  53  10.197  -7.384   1.361
  414   2HD1  LEU  53          2HD1      LEU  53   9.747  -5.871   0.575
  415   3HD1  LEU  53          3HD1      LEU  53   8.688  -6.581   1.793
  416   1HD2  LEU  53          1HD2      LEU  53   6.770  -7.587  -1.126
  417   2HD2  LEU  53          2HD2      LEU  53   6.727  -6.823   0.465
  418   3HD2  LEU  53          3HD2      LEU  53   7.462  -5.981  -0.898
  419    H    GLN  54           HN       GLN  54  10.627  -5.501  -3.942
  420    HA   GLN  54           HA       GLN  54  12.460  -7.458  -5.086
  421   1HB   GLN  54          2HB       GLN  54  10.406  -7.037  -6.323
  422   2HB   GLN  54          3HB       GLN  54  10.748  -5.318  -6.372
  423   1HG   GLN  54          2HG       GLN  54  12.686  -7.220  -7.597
  424   2HG   GLN  54          3HG       GLN  54  11.185  -6.854  -8.441
  425   1HE2  GLN  54          1HE2      GLN  54  11.550  -4.100  -6.951
  426   2HE2  GLN  54          2HE2      GLN  54  12.591  -3.241  -8.025
  427    H    ASN  55           HN       ASN  55  12.178  -3.939  -4.551
  428    HA   ASN  55           HA       ASN  55  14.868  -3.431  -5.512
  429   1HB   ASN  55          2HB       ASN  55  12.936  -1.658  -4.001
  430   2HB   ASN  55          3HB       ASN  55  14.492  -1.138  -4.641
  431   1HD2  ASN  55          1HD2      ASN  55  11.313  -1.049  -5.192
  432   2HD2  ASN  55          2HD2      ASN  55  11.283  -0.953  -6.917
  433    HA   PRO  56           HA       PRO  56  16.672  -4.661  -1.628
  434   1HB   PRO  56          2HB       PRO  56  19.190  -3.728  -2.170
  435   2HB   PRO  56          3HB       PRO  56  18.567  -5.280  -2.741
  436   1HG   PRO  56          2HG       PRO  56  18.790  -2.674  -4.186
  437   2HG   PRO  56          3HG       PRO  56  19.099  -4.316  -4.781
  438   1HD   PRO  56          2HD       PRO  56  16.820  -2.966  -5.344
  439   2HD   PRO  56          3HD       PRO  56  16.860  -4.733  -5.159
  440    H    ASP  57           HN       ASP  57  17.438  -1.460  -3.004
  441    HA   ASP  57           HA       ASP  57  18.223  -0.355  -0.501
  442   1HB   ASP  57          2HB       ASP  57  17.405   1.113  -3.021
  443   2HB   ASP  57          3HB       ASP  57  18.297   1.798  -1.670
  444    H    ILE  58           HN       ILE  58  15.372   0.190  -2.523
  445    HA   ILE  58           HA       ILE  58  14.067   1.974  -0.804
  446    HB   ILE  58           HB       ILE  58  12.725   0.099  -2.759
  447   1HG1  ILE  58          2HG1      ILE  58  13.957   2.831  -3.218
  448   2HG1  ILE  58          3HG1      ILE  58  14.600   1.306  -3.819
  449   1HG2  ILE  58          1HG2      ILE  58  11.747   2.838  -2.430
  450   2HG2  ILE  58          2HG2      ILE  58  10.857   1.318  -2.469
  451   3HG2  ILE  58          3HG2      ILE  58  11.616   1.855  -0.971
  452   1HD1  ILE  58          1HD1      ILE  58  11.941   2.493  -4.576
  453   2HD1  ILE  58          2HD1      ILE  58  13.415   2.567  -5.542
  454   3HD1  ILE  58          3HD1      ILE  58  12.648   1.011  -5.221
  455    H    ARG  59           HN       ARG  59  14.018  -1.530  -0.977
  456    HA   ARG  59           HA       ARG  59  11.891  -2.169   0.660
  457   1HB   ARG  59          2HB       ARG  59  13.182  -3.824  -0.561
  458   2HB   ARG  59          3HB       ARG  59  14.587  -3.510   0.445
  459   1HG   ARG  59          2HG       ARG  59  13.461  -4.427   2.370
  460   2HG   ARG  59          3HG       ARG  59  11.983  -4.649   1.430
  461   1HD   ARG  59          2HD       ARG  59  13.242  -6.743   1.661
  462   2HD   ARG  59          3HD       ARG  59  13.109  -6.235  -0.020
  463    HE   ARG  59           HE       ARG  59  15.374  -6.226  -0.100
  464   1HH1  ARG  59          2HH1      ARG  59  14.473  -5.751   3.256
  465   2HH1  ARG  59          1HH1      ARG  59  16.111  -5.682   3.812
  466   1HH2  ARG  59          2HH2      ARG  59  17.534  -6.138   0.645
  467   2HH2  ARG  59          1HH2      ARG  59  17.845  -5.894   2.337
  468    H    ALA  60           HN       ALA  60  15.096  -1.054   1.603
  469    HA   ALA  60           HA       ALA  60  14.728  -1.826   4.329
  470   1HB   ALA  60          1HB       ALA  60  16.896  -1.255   2.667
  471   2HB   ALA  60          2HB       ALA  60  16.962  -0.069   3.969
  472   3HB   ALA  60          3HB       ALA  60  16.935  -1.791   4.347
  473    H    GLU  61           HN       GLU  61  14.962   1.360   2.744
  474    HA   GLU  61           HA       GLU  61  15.197   2.623   5.224
  475   1HB   GLU  61          2HB       GLU  61  14.620   3.947   2.579
  476   2HB   GLU  61          3HB       GLU  61  15.312   4.710   4.010
  477   1HG   GLU  61          2HG       GLU  61  17.198   3.050   3.857
  478   2HG   GLU  61          3HG       GLU  61  16.554   2.585   2.286
  479    H    LEU  62           HN       LEU  62  12.463   3.136   2.916
  480    HA   LEU  62           HA       LEU  62  11.156   4.799   4.756
  481   1HB   LEU  62          2HB       LEU  62   9.213   4.817   3.366
  482   2HB   LEU  62          3HB       LEU  62  10.651   4.961   2.364
  483    HG   LEU  62           HG       LEU  62   9.293   2.300   2.776
  484   1HD1  LEU  62          1HD1      LEU  62   7.597   2.802   1.424
  485   2HD1  LEU  62          2HD1      LEU  62   8.031   4.498   1.647
  486   3HD1  LEU  62          3HD1      LEU  62   8.668   3.599   0.272
  487   1HD2  LEU  62          1HD2      LEU  62  10.253   2.159   0.365
  488   2HD2  LEU  62          2HD2      LEU  62  11.270   3.497   0.904
  489   3HD2  LEU  62          3HD2      LEU  62  11.317   1.956   1.758
  490    HA   PRO  63           HA       PRO  63   8.271   0.900   5.644
  491   1HB   PRO  63          2HB       PRO  63   9.915  -1.151   6.549
  492   2HB   PRO  63          3HB       PRO  63   9.100  -1.116   4.981
  493   1HG   PRO  63          2HG       PRO  63  11.906  -0.347   5.673
  494   2HG   PRO  63          3HG       PRO  63  11.304  -1.261   4.276
  495   1HD   PRO  63          2HD       PRO  63  11.955   1.288   4.003
  496   2HD   PRO  63          3HD       PRO  63  10.479   0.662   3.226
  497    H    LYS  64           HN       LYS  64  11.461   1.318   7.049
  498    HA   LYS  64           HA       LYS  64  10.804   0.962   9.740
  499   1HB   LYS  64          2HB       LYS  64  12.958   2.674   8.510
  500   2HB   LYS  64          3HB       LYS  64  12.881   2.198  10.204
  501   1HG   LYS  64          2HG       LYS  64  13.000  -0.162   9.515
  502   2HG   LYS  64          3HG       LYS  64  13.170   0.353   7.840
  503   1HD   LYS  64          2HD       LYS  64  15.070   1.003  10.094
  504   2HD   LYS  64          3HD       LYS  64  15.324  -0.236   8.870
  505   1HE   LYS  64          2HE       LYS  64  16.609   1.633   8.210
  506   2HE   LYS  64          3HE       LYS  64  15.209   1.594   7.146
  507   1HZ   LYS  64          1HZ       LYS  64  14.804   3.196   9.496
  508   2HZ   LYS  64          2HZ       LYS  64  14.546   3.580   7.861
  509   3HZ   LYS  64          3HZ       LYS  64  16.090   3.747   8.538
  510    H    TYR  65           HN       TYR  65  10.519   3.715   7.605
  511    HA   TYR  65           HA       TYR  65   9.909   5.611   9.628
  512   1HB   TYR  65          2HB       TYR  65  10.023   7.074   7.937
  513   2HB   TYR  65          3HB       TYR  65  10.408   5.728   6.888
  514    HD1  TYR  65           1HD      TYR  65   7.219   7.139   8.323
  515    HD2  TYR  65           2HD      TYR  65   9.343   5.883   4.838
  516    HE1  TYR  65           1HE      TYR  65   5.271   7.694   6.937
  517    HE2  TYR  65           2HE      TYR  65   7.374   6.438   3.447
  518    HH   TYR  65           HH       TYR  65   4.436   7.831   4.909
  519    H    ALA  66           HN       ALA  66   7.898   3.481   7.548
  520    HA   ALA  66           HA       ALA  66   5.466   4.618   8.518
  521   1HB   ALA  66          1HB       ALA  66   5.246   3.648   6.464
  522   2HB   ALA  66          2HB       ALA  66   6.221   2.245   6.900
  523   3HB   ALA  66          3HB       ALA  66   4.572   2.395   7.506
  524    H    ASN  67           HN       ASN  67   6.882   1.370   9.051
  525    HA   ASN  67           HA       ASN  67   6.690   1.436  11.805
  526   1HB   ASN  67          2HB       ASN  67   4.221   1.345  11.407
  527   2HB   ASN  67          3HB       ASN  67   4.441  -0.214  10.624
  528   1HD2  ASN  67          1HD2      ASN  67   3.562   1.245  13.374
  529   2HD2  ASN  67          2HD2      ASN  67   3.903  -0.016  14.523
  530    H    TRP  68           HN       TRP  68   5.990  -0.823   9.232
  531    HA   TRP  68           HA       TRP  68   7.144  -3.134  10.166
  532   1HB   TRP  68          2HB       TRP  68   6.575  -2.085   7.418
  533   2HB   TRP  68          3HB       TRP  68   7.397  -3.627   7.622
  534    HD1  TRP  68           1HD      TRP  68   5.818  -5.502   7.267
  535    HE1  TRP  68           1HE      TRP  68   3.358  -6.030   7.782
  536    HE3  TRP  68           3HE      TRP  68   4.491  -1.115   9.529
  537    HZ2  TRP  68           2HZ      TRP  68   1.155  -4.780   8.995
  538    HZ3  TRP  68           3HZ      TRP  68   2.186  -0.872  10.345
  539    HH2  TRP  68           2HH      TRP  68   0.550  -2.661  10.082
  540    HA   PRO  69           HA       PRO  69  11.578  -2.776   9.552
  541   1HB   PRO  69          2HB       PRO  69  11.593  -5.572   8.701
  542   2HB   PRO  69          3HB       PRO  69  12.305  -4.850  10.145
  543   1HG   PRO  69          2HG       PRO  69  10.160  -6.501  10.240
  544   2HG   PRO  69          3HG       PRO  69  10.418  -5.192  11.408
  545   1HD   PRO  69          2HD       PRO  69   8.602  -5.285   9.031
  546   2HD   PRO  69          3HD       PRO  69   8.318  -4.593  10.644
  547    H    THR  70           HN       THR  70   9.507  -4.465   7.324
  548    HA   THR  70           HA       THR  70  10.694  -3.117   5.031
  549    HB   THR  70           HB       THR  70  10.658  -5.216   3.694
  550    HG1  THR  70           1HG      THR  70  10.856  -7.008   5.675
  551   1HG2  THR  70          1HG2      THR  70  12.822  -4.703   4.308
  552   2HG2  THR  70          2HG2      THR  70  12.646  -6.311   5.010
  553   3HG2  THR  70          3HG2      THR  70  12.488  -4.880   6.032
  554    H    PHE  71           HN       PHE  71   8.797  -5.512   3.822
  555    HA   PHE  71           HA       PHE  71   6.247  -4.217   4.447
  556   1HB   PHE  71          2HB       PHE  71   7.203  -4.647   1.597
  557   2HB   PHE  71          3HB       PHE  71   5.666  -3.954   2.085
  558    HD1  PHE  71           1HD      PHE  71   9.333  -3.364   2.248
  559    HD2  PHE  71           2HD      PHE  71   5.443  -1.644   2.305
  560    HE1  PHE  71           1HE      PHE  71  10.325  -1.127   2.176
  561    HE2  PHE  71           2HE      PHE  71   6.435   0.608   2.242
  562    HZ   PHE  71           HZ       PHE  71   8.878   0.864   2.159
  563    HA   PRO  72           HA       PRO  72   4.769  -5.006   1.562
  564   1HB   PRO  72          2HB       PRO  72   2.235  -6.006   1.662
  565   2HB   PRO  72          3HB       PRO  72   3.484  -6.616   0.575
  566   1HG   PRO  72          2HG       PRO  72   2.524  -7.713   3.177
  567   2HG   PRO  72          3HG       PRO  72   2.991  -8.572   1.698
  568   1HD   PRO  72          2HD       PRO  72   4.603  -8.373   3.871
  569   2HD   PRO  72          3HD       PRO  72   5.221  -8.506   2.213
  570    H    GLN  73           HN       GLN  73   3.369  -3.281   1.788
  571    HA   GLN  73           HA       GLN  73   1.895  -2.973   4.297
  572   1HB   GLN  73          2HB       GLN  73   3.704  -0.788   3.263
  573   2HB   GLN  73          3HB       GLN  73   2.692  -0.744   4.689
  574   1HG   GLN  73          2HG       GLN  73   4.096  -2.376   5.783
  575   2HG   GLN  73          3HG       GLN  73   5.108  -2.487   4.337
  576   1HE2  GLN  73          1HE2      GLN  73   4.106   0.612   4.461
  577   2HE2  GLN  73          2HE2      GLN  73   5.418   1.326   5.323
  578    H    LEU  74           HN       LEU  74  -0.010  -2.063   3.917
  579    HA   LEU  74           HA       LEU  74  -0.612  -0.995   1.260
  580   1HB   LEU  74          2HB       LEU  74  -1.986  -2.814   2.228
  581   2HB   LEU  74          3HB       LEU  74  -2.429  -1.756   3.546
  582    HG   LEU  74           HG       LEU  74  -4.185  -2.070   1.779
  583   1HD1  LEU  74          1HD1      LEU  74  -3.634   0.139   3.247
  584   2HD1  LEU  74          2HD1      LEU  74  -3.642   0.808   1.615
  585   3HD1  LEU  74          3HD1      LEU  74  -5.054  -0.056   2.222
  586   1HD2  LEU  74          1HD2      LEU  74  -2.008  -0.922   0.140
  587   2HD2  LEU  74          2HD2      LEU  74  -3.247  -2.104  -0.278
  588   3HD2  LEU  74          3HD2      LEU  74  -3.653  -0.389  -0.207
  589    H    TRP  75           HN       TRP  75  -1.097   1.110   0.937
  590    HA   TRP  75           HA       TRP  75  -1.245   2.838   3.315
  591   1HB   TRP  75          2HB       TRP  75  -0.013   3.452   0.631
  592   2HB   TRP  75          3HB       TRP  75  -0.269   4.637   1.901
  593    HD1  TRP  75           1HD      TRP  75   1.773   1.381   1.312
  594    HE1  TRP  75           1HE      TRP  75   3.872   1.525   2.806
  595    HE3  TRP  75           3HE      TRP  75   0.704   5.698   3.802
  596    HZ2  TRP  75           2HZ      TRP  75   4.905   3.222   4.792
  597    HZ3  TRP  75           3HZ      TRP  75   2.303   6.520   5.493
  598    HH2  TRP  75           2HH      TRP  75   4.354   5.299   5.973
  599    H    VAL  76           HN       VAL  76  -2.963   4.017   3.513
  600    HA   VAL  76           HA       VAL  76  -4.773   4.359   1.200
  601    HB   VAL  76           HB       VAL  76  -5.425   4.193   4.164
  602   1HG1  VAL  76          1HG1      VAL  76  -7.083   5.593   3.542
  603   2HG1  VAL  76          2HG1      VAL  76  -7.012   5.112   1.846
  604   3HG1  VAL  76          3HG1      VAL  76  -7.827   4.077   3.023
  605   1HG2  VAL  76          1HG2      VAL  76  -6.508   2.143   3.702
  606   2HG2  VAL  76          2HG2      VAL  76  -6.344   2.372   1.960
  607   3HG2  VAL  76          3HG2      VAL  76  -4.914   2.056   2.946
  608    H    ASP  77           HN       ASP  77  -4.830   6.472   0.523
  609    HA   ASP  77           HA       ASP  77  -4.688   8.769   0.512
  610   1HB   ASP  77          2HB       ASP  77  -6.612   8.521   1.987
  611   2HB   ASP  77          3HB       ASP  77  -5.532   8.288   3.357
  612    H    GLY  78           HN       GLY  78  -2.455   7.125   1.230
  613   1HA   GLY  78          1HA       GLY  78  -0.199   7.488   1.574
  614   2HA   GLY  78          2HA       GLY  78  -0.574   9.151   1.983
  615    H    GLU  79           HN       GLU  79  -2.110   6.480   3.609
  616    HA   GLU  79           HA       GLU  79  -0.307   6.808   5.878
  617   1HB   GLU  79          2HB       GLU  79  -3.310   6.830   6.042
  618   2HB   GLU  79          3HB       GLU  79  -2.249   6.629   7.432
  619   1HG   GLU  79          2HG       GLU  79  -1.222   8.815   6.902
  620   2HG   GLU  79          3HG       GLU  79  -2.405   9.017   5.613
  621    H    LEU  80           HN       LEU  80   0.284   5.050   6.888
  622    HA   LEU  80           HA       LEU  80  -0.017   2.596   5.564
  623   1HB   LEU  80          2HB       LEU  80   2.017   3.170   6.704
  624   2HB   LEU  80          3HB       LEU  80   1.177   3.312   8.240
  625    HG   LEU  80           HG       LEU  80   0.674   0.870   8.108
  626   1HD1  LEU  80          1HD1      LEU  80   2.412  -0.319   6.562
  627   2HD1  LEU  80          2HD1      LEU  80   0.838   0.185   5.939
  628   3HD1  LEU  80          3HD1      LEU  80   2.269   1.168   5.620
  629   1HD2  LEU  80          1HD2      LEU  80   3.066   2.220   8.782
  630   2HD2  LEU  80          2HD2      LEU  80   2.416   0.729   9.465
  631   3HD2  LEU  80          3HD2      LEU  80   3.506   0.663   8.080
  632    H    VAL  81           HN       VAL  81  -1.301   0.937   5.832
  633    HA   VAL  81           HA       VAL  81  -3.015   0.817   8.229
  634    HB   VAL  81           HB       VAL  81  -3.529  -0.363   5.486
  635   1HG1  VAL  81          1HG1      VAL  81  -4.562  -1.875   6.891
  636   2HG1  VAL  81          2HG1      VAL  81  -4.949  -0.647   8.098
  637   3HG1  VAL  81          3HG1      VAL  81  -5.856  -0.714   6.588
  638   1HG2  VAL  81          1HG2      VAL  81  -4.062   1.848   5.191
  639   2HG2  VAL  81          2HG2      VAL  81  -5.599   1.218   5.789
  640   3HG2  VAL  81          3HG2      VAL  81  -4.512   2.080   6.881
  641    H    GLY  82           HN       GLY  82  -1.353  -1.180   5.815
  642   1HA   GLY  82          1HA       GLY  82   0.325  -2.747   7.093
  643   2HA   GLY  82          2HA       GLY  82  -1.184  -3.428   7.687
  644    H    GLY  83           HN       GLY  83   1.082  -4.240   5.655
  645   1HA   GLY  83          1HA       GLY  83  -0.334  -4.269   3.184
  646   2HA   GLY  83          2HA       GLY  83   1.257  -4.935   3.472
  647    H    CYS  84           HN       CYS  84   1.070  -7.087   4.915
  648    HA   CYS  84           HA       CYS  84  -0.265  -8.775   3.068
  649   1HB   CYS  84          2HB       CYS  84   0.727 -10.630   4.401
  650   2HB   CYS  84          3HB       CYS  84   1.889  -9.429   3.851
  651    HG   CYS  84           HG       CYS  84   1.196 -10.437   6.921
  652    H    ASP  85           HN       ASP  85  -0.439  -8.908   6.592
  653    HA   ASP  85           HA       ASP  85  -2.815 -10.487   6.528
  654   1HB   ASP  85          2HB       ASP  85  -1.430  -9.134   8.857
  655   2HB   ASP  85          3HB       ASP  85  -2.676 -10.367   8.989
  656    H    ILE  86           HN       ILE  86  -2.047  -7.199   7.448
  657    HA   ILE  86           HA       ILE  86  -4.457  -6.520   8.591
  658    HB   ILE  86           HB       ILE  86  -2.582  -4.681   7.105
  659   1HG1  ILE  86          2HG1      ILE  86  -1.441  -5.963   8.862
  660   2HG1  ILE  86          3HG1      ILE  86  -1.588  -4.270   9.318
  661   1HG2  ILE  86          1HG2      ILE  86  -4.959  -3.900   7.701
  662   2HG2  ILE  86          2HG2      ILE  86  -4.399  -3.937   9.374
  663   3HG2  ILE  86          3HG2      ILE  86  -3.603  -2.889   8.201
  664   1HD1  ILE  86          1HD1      ILE  86  -3.520  -6.360  10.260
  665   2HD1  ILE  86          2HD1      ILE  86  -2.028  -5.977  11.120
  666   3HD1  ILE  86          3HD1      ILE  86  -3.261  -4.736  10.897
  667    H    VAL  87           HN       VAL  87  -3.490  -6.151   5.166
  668    HA   VAL  87           HA       VAL  87  -5.797  -4.830   4.286
  669    HB   VAL  87           HB       VAL  87  -4.081  -6.788   2.746
  670   1HG1  VAL  87          1HG1      VAL  87  -5.847  -4.698   1.518
  671   2HG1  VAL  87          2HG1      VAL  87  -5.129  -6.127   0.773
  672   3HG1  VAL  87          3HG1      VAL  87  -6.474  -6.303   1.900
  673   1HG2  VAL  87          1HG2      VAL  87  -3.700  -4.210   1.803
  674   2HG2  VAL  87          2HG2      VAL  87  -3.746  -4.039   3.560
  675   3HG2  VAL  87          3HG2      VAL  87  -2.591  -5.143   2.810
  676    H    ILE  88           HN       ILE  88  -5.088  -8.317   4.421
  677    HA   ILE  88           HA       ILE  88  -7.569  -9.170   3.430
  678    HB   ILE  88           HB       ILE  88  -5.662 -10.569   5.307
  679   1HG1  ILE  88          2HG1      ILE  88  -4.804 -10.081   3.028
  680   2HG1  ILE  88          3HG1      ILE  88  -4.983 -11.810   3.319
  681   1HG2  ILE  88          1HG2      ILE  88  -8.103 -11.645   3.893
  682   2HG2  ILE  88          2HG2      ILE  88  -6.885 -12.638   4.702
  683   3HG2  ILE  88          3HG2      ILE  88  -7.863 -11.502   5.635
  684   1HD1  ILE  88          1HD1      ILE  88  -6.326 -10.068   1.391
  685   2HD1  ILE  88          2HD1      ILE  88  -5.990 -11.800   1.325
  686   3HD1  ILE  88          3HD1      ILE  88  -7.390 -11.206   2.221
  687    H    GLU  89           HN       GLU  89  -6.462  -8.791   6.818
  688    HA   GLU  89           HA       GLU  89  -8.889  -9.562   7.982
  689   1HB   GLU  89          2HB       GLU  89  -6.822  -9.307   9.290
  690   2HB   GLU  89          3HB       GLU  89  -6.898  -7.562   9.068
  691   1HG   GLU  89          2HG       GLU  89  -9.091  -7.561  10.241
  692   2HG   GLU  89          3HG       GLU  89  -8.868  -9.279  10.559
  693    H    MET  90           HN       MET  90  -7.723  -6.237   7.360
  694    HA   MET  90           HA       MET  90 -10.038  -4.930   8.221
  695   1HB   MET  90          2HB       MET  90  -8.040  -4.045   6.134
  696   2HB   MET  90          3HB       MET  90  -9.254  -3.002   6.860
  697   1HG   MET  90          2HG       MET  90  -7.010  -4.387   8.309
  698   2HG   MET  90          3HG       MET  90  -7.078  -2.678   7.882
  699   1HE   MET  90          1HE       MET  90  -7.193  -1.875  11.204
  700   2HE   MET  90          2HE       MET  90  -7.086  -3.595  11.583
  701   3HE   MET  90          3HE       MET  90  -6.193  -2.937  10.211
  702    H    TYR  91           HN       TYR  91  -9.210  -6.290   5.099
  703    HA   TYR  91           HA       TYR  91 -11.418  -5.431   3.582
  704   1HB   TYR  91          2HB       TYR  91  -9.715  -6.455   2.382
  705   2HB   TYR  91          3HB       TYR  91  -9.532  -7.748   3.554
  706    HD1  TYR  91           1HD      TYR  91 -12.144  -6.507   1.134
  707    HD2  TYR  91           2HD      TYR  91 -10.169  -9.799   2.961
  708    HE1  TYR  91           1HE      TYR  91 -13.437  -8.063  -0.264
  709    HE2  TYR  91           2HE      TYR  91 -11.436 -11.354   1.581
  710    HH   TYR  91           HH       TYR  91 -13.867 -10.185  -0.769
  711    H    GLN  92           HN       GLN  92 -10.943  -8.348   5.540
  712    HA   GLN  92           HA       GLN  92 -13.514  -9.425   5.115
  713   1HB   GLN  92          2HB       GLN  92 -11.622  -9.866   7.434
  714   2HB   GLN  92          3HB       GLN  92 -12.978 -10.902   7.001
  715   1HG   GLN  92          2HG       GLN  92 -11.925 -11.462   4.896
  716   2HG   GLN  92          3HG       GLN  92 -10.592 -10.348   5.241
  717   1HE2  GLN  92          1HE2      GLN  92 -11.370 -13.489   5.159
  718   2HE2  GLN  92          2HE2      GLN  92 -10.299 -14.103   6.372
  719    H    ARG  93           HN       ARG  93 -12.174  -7.275   7.533
  720    HA   ARG  93           HA       ARG  93 -14.390  -7.104   9.284
  721   1HB   ARG  93          2HB       ARG  93 -12.319  -4.995   8.635
  722   2HB   ARG  93          3HB       ARG  93 -13.360  -5.016  10.042
  723   1HG   ARG  93          2HG       ARG  93 -11.324  -7.124   9.417
  724   2HG   ARG  93          3HG       ARG  93 -11.025  -5.734  10.456
  725   1HD   ARG  93          2HD       ARG  93 -13.194  -7.764  10.960
  726   2HD   ARG  93          3HD       ARG  93 -11.583  -7.869  11.654
  727    HE   ARG  93           HE       ARG  93 -12.108  -6.209  13.130
  728   1HH1  ARG  93          2HH1      ARG  93 -14.794  -6.531  10.899
  729   2HH1  ARG  93          1HH1      ARG  93 -15.689  -5.213  11.591
  730   1HH2  ARG  93          2HH2      ARG  93 -13.303  -4.506  14.067
  731   2HH2  ARG  93          1HH2      ARG  93 -14.858  -4.087  13.406
  732    H    GLY  94           HN       GLY  94 -13.600  -5.577   6.263
  733   1HA   GLY  94          1HA       GLY  94 -15.004  -4.434   4.788
  734   2HA   GLY  94          2HA       GLY  94 -16.247  -4.384   6.034
  735    H    GLU  95           HN       GLU  95 -13.066  -3.545   6.910
  736    HA   GLU  95           HA       GLU  95 -13.767  -0.739   7.267
  737   1HB   GLU  95          2HB       GLU  95 -11.291  -2.264   8.066
  738   2HB   GLU  95          3HB       GLU  95 -11.698  -0.620   8.542
  739   1HG   GLU  95          2HG       GLU  95 -13.306  -3.062   9.232
  740   2HG   GLU  95          3HG       GLU  95 -12.144  -2.277  10.282
  741    H    LEU  96           HN       LEU  96 -11.733  -2.839   5.447
  742    HA   LEU  96           HA       LEU  96  -9.738  -1.154   4.519
  743   1HB   LEU  96          2HB       LEU  96 -10.176  -3.761   4.320
  744   2HB   LEU  96          3HB       LEU  96 -10.854  -3.318   2.771
  745    HG   LEU  96           HG       LEU  96  -8.643  -4.054   2.384
  746   1HD1  LEU  96          1HD1      LEU  96  -9.457  -1.698   1.461
  747   2HD1  LEU  96          2HD1      LEU  96  -8.008  -1.182   2.323
  748   3HD1  LEU  96          3HD1      LEU  96  -7.893  -2.407   1.060
  749   1HD2  LEU  96          1HD2      LEU  96  -7.867  -2.254   4.648
  750   2HD2  LEU  96          2HD2      LEU  96  -7.663  -4.003   4.507
  751   3HD2  LEU  96          3HD2      LEU  96  -6.697  -2.915   3.506
  752    H    GLN  97           HN       GLN  97 -12.695  -2.167   2.915
  753    HA   GLN  97           HA       GLN  97 -12.520  -0.422   0.707
  754   1HB   GLN  97          2HB       GLN  97 -15.005  -0.840   0.476
  755   2HB   GLN  97          3HB       GLN  97 -13.963  -2.235   0.367
  756   1HG   GLN  97          2HG       GLN  97 -15.351  -1.495   2.918
  757   2HG   GLN  97          3HG       GLN  97 -16.152  -2.434   1.664
  758   1HE2  GLN  97          1HE2      GLN  97 -16.021  -4.537   1.836
  759   2HE2  GLN  97          2HE2      GLN  97 -14.838  -5.420   2.745
  760    H    GLN  98           HN       GLN  98 -13.657   0.003   3.931
  761    HA   GLN  98           HA       GLN  98 -15.180   2.359   3.510
  762   1HB   GLN  98          2HB       GLN  98 -13.873   1.102   5.898
  763   2HB   GLN  98          3HB       GLN  98 -14.628   2.672   6.019
  764   1HG   GLN  98          2HG       GLN  98 -15.976   0.129   5.161
  765   2HG   GLN  98          3HG       GLN  98 -16.118   0.891   6.745
  766   1HE2  GLN  98          1HE2      GLN  98 -17.826   2.109   7.035
  767   2HE2  GLN  98          2HE2      GLN  98 -18.757   2.878   5.795
  768    H    LEU  99           HN       LEU  99 -11.849   1.728   4.446
  769    HA   LEU  99           HA       LEU  99 -11.062   4.451   4.639
  770   1HB   LEU  99          2HB       LEU  99  -9.287   2.106   3.948
  771   2HB   LEU  99          3HB       LEU  99  -8.818   3.602   4.729
  772    HG   LEU  99           HG       LEU  99 -10.546   1.442   5.937
  773   1HD1  LEU  99          1HD1      LEU  99  -8.690   0.899   7.301
  774   2HD1  LEU  99          2HD1      LEU  99  -8.091   0.960   5.643
  775   3HD1  LEU  99          3HD1      LEU  99  -7.774   2.300   6.744
  776   1HD2  LEU  99          1HD2      LEU  99  -9.392   3.523   7.663
  777   2HD2  LEU  99          2HD2      LEU  99 -10.634   4.102   6.552
  778   3HD2  LEU  99          3HD2      LEU  99 -10.999   2.793   7.679
  779    H    ILE 100           HN       ILE 100 -10.844   2.001   2.098
  780    HA   ILE 100           HA       ILE 100  -9.447   3.623   0.258
  781    HB   ILE 100           HB       ILE 100 -11.266   1.288  -0.360
  782   1HG1  ILE 100          2HG1      ILE 100  -9.463   0.653   1.174
  783   2HG1  ILE 100          3HG1      ILE 100  -9.191  -0.039  -0.421
  784   1HG2  ILE 100          1HG2      ILE 100  -9.879   3.121  -2.060
  785   2HG2  ILE 100          2HG2      ILE 100  -9.154   1.518  -2.219
  786   3HG2  ILE 100          3HG2      ILE 100 -10.883   1.737  -2.501
  787   1HD1  ILE 100          1HD1      ILE 100  -7.676   2.011  -0.801
  788   2HD1  ILE 100          2HD1      ILE 100  -7.720   2.167   0.953
  789   3HD1  ILE 100          3HD1      ILE 100  -7.092   0.694   0.216
  790    H    LYS 101           HN       LYS 101 -12.925   3.049   0.739
  791    HA   LYS 101           HA       LYS 101 -13.983   4.389  -1.436
  792   1HB   LYS 101          2HB       LYS 101 -15.397   3.214   0.175
  793   2HB   LYS 101          3HB       LYS 101 -14.976   4.381   1.425
  794   1HG   LYS 101          2HG       LYS 101 -15.913   6.114  -0.233
  795   2HG   LYS 101          3HG       LYS 101 -16.692   4.734  -0.981
  796   1HD   LYS 101          2HD       LYS 101 -16.993   5.588   1.892
  797   2HD   LYS 101          3HD       LYS 101 -18.177   5.844   0.612
  798   1HE   LYS 101          2HE       LYS 101 -18.444   3.441   0.363
  799   2HE   LYS 101          3HE       LYS 101 -17.217   3.163   1.600
  800   1HZ   LYS 101          1HZ       LYS 101 -18.628   4.257   3.216
  801   2HZ   LYS 101          2HZ       LYS 101 -19.461   2.971   2.493
  802   3HZ   LYS 101          3HZ       LYS 101 -19.806   4.563   2.036
  803    H    GLU 102           HN       GLU 102 -13.350   5.717   1.784
  804    HA   GLU 102           HA       GLU 102 -14.050   8.349   1.224
  805   1HB   GLU 102          2HB       GLU 102 -13.749   7.474   3.492
  806   2HB   GLU 102          3HB       GLU 102 -12.022   7.299   3.212
  807   1HG   GLU 102          2HG       GLU 102 -11.796   9.706   3.002
  808   2HG   GLU 102          3HG       GLU 102 -13.533   9.902   3.227
  809    H    THR 103           HN       THR 103 -10.956   6.738   1.054
  810    HA   THR 103           HA       THR 103  -9.465   9.030   0.345
  811    HB   THR 103           HB       THR 103  -8.789   6.116   0.037
  812    HG1  THR 103           1HG      THR 103  -8.978   6.376   2.170
  813   1HG2  THR 103          1HG2      THR 103  -6.893   8.411   0.322
  814   2HG2  THR 103          2HG2      THR 103  -7.437   7.847  -1.258
  815   3HG2  THR 103          3HG2      THR 103  -6.553   6.759  -0.183
  816    H    ALA 104           HN       ALA 104 -10.780   6.349  -1.599
  817    HA   ALA 104           HA       ALA 104  -9.542   7.202  -3.977
  818   1HB   ALA 104          1HB       ALA 104 -11.265   5.108  -3.162
  819   2HB   ALA 104          2HB       ALA 104 -11.980   5.871  -4.583
  820   3HB   ALA 104          3HB       ALA 104 -10.333   5.244  -4.653
  821    H    ALA 105           HN       ALA 105 -12.736   7.796  -2.593
  822    HA   ALA 105           HA       ALA 105 -13.805   9.257  -4.726
  823   1HB   ALA 105          1HB       ALA 105 -14.598   9.815  -1.901
  824   2HB   ALA 105          2HB       ALA 105 -15.595   9.732  -3.354
  825   3HB   ALA 105          3HB       ALA 105 -14.952   8.252  -2.640
  826    H    LYS 106           HN       LYS 106 -11.903  10.393  -1.897
  827    HA   LYS 106           HA       LYS 106 -12.319  13.157  -2.426
  828   1HB   LYS 106          2HB       LYS 106 -10.340  13.493  -0.951
  829   2HB   LYS 106          3HB       LYS 106 -11.524  12.389  -0.241
  830   1HG   LYS 106          2HG       LYS 106 -10.254  10.500  -1.018
  831   2HG   LYS 106          3HG       LYS 106  -9.109  11.573  -1.794
  832   1HD   LYS 106          2HD       LYS 106  -8.364  10.556   0.237
  833   2HD   LYS 106          3HD       LYS 106  -8.269  12.311   0.279
  834   1HE   LYS 106          2HE       LYS 106 -10.375  12.326   1.599
  835   2HE   LYS 106          3HE       LYS 106 -10.366  10.561   1.587
  836   1HZ   LYS 106          1HZ       LYS 106  -9.023  10.583   3.335
  837   2HZ   LYS 106          2HZ       LYS 106  -9.077  12.273   3.377
  838   3HZ   LYS 106          3HZ       LYS 106  -7.866  11.484   2.489
  839    H    TYR 107           HN       TYR 107  -9.792  10.833  -3.372
  840    HA   TYR 107           HA       TYR 107  -8.251  12.885  -4.637
  841   1HB   TYR 107          2HB       TYR 107  -7.970   9.892  -4.651
  842   2HB   TYR 107          3HB       TYR 107  -6.899  10.945  -5.566
  843    HD1  TYR 107           1HD      TYR 107  -5.492  12.593  -4.345
  844    HD2  TYR 107           2HD      TYR 107  -7.642   9.519  -2.308
  845    HE1  TYR 107           1HE      TYR 107  -4.036  12.871  -2.392
  846    HE2  TYR 107           2HE      TYR 107  -6.219   9.813  -0.361
  847    HH   TYR 107           HH       TYR 107  -4.741  11.342   0.651
  848    H    LYS 108           HN       LYS 108 -10.335  10.279  -5.940
  849    HA   LYS 108           HA       LYS 108 -10.004  11.522  -8.570
  850   1HB   LYS 108          2HB       LYS 108 -11.047   8.830  -7.767
  851   2HB   LYS 108          3HB       LYS 108 -11.300   9.474  -9.375
  852   1HG   LYS 108          2HG       LYS 108  -9.424   7.985  -9.396
  853   2HG   LYS 108          3HG       LYS 108  -8.874   9.631  -9.694
  854   1HD   LYS 108          2HD       LYS 108  -7.368   8.455  -8.181
  855   2HD   LYS 108          3HD       LYS 108  -8.152   9.812  -7.366
  856   1HE   LYS 108          2HE       LYS 108  -8.149   7.898  -5.907
  857   2HE   LYS 108          3HE       LYS 108  -9.796   8.263  -6.426
  858   1HZ   LYS 108          1HZ       LYS 108  -8.736   6.465  -8.263
  859   2HZ   LYS 108          2HZ       LYS 108  -9.966   6.170  -7.127
  860   3HZ   LYS 108          3HZ       LYS 108  -8.342   5.859  -6.734
  861    H    SER 109           HN       SER 109 -12.545  10.419  -9.408
  862    HA   SER 109           HA       SER 109 -14.373  12.462  -8.589
  863   1HB   SER 109          2HB       SER 109 -16.011  10.953  -9.860
  864   2HB   SER 109          3HB       SER 109 -14.690  11.645 -10.802
  865    HG   SER 109           HG       SER 109 -14.909   8.995  -9.780
  866    H    GLU 110           HN       GLU 110 -16.548  11.654  -7.639
  867    HA   GLU 110           HA       GLU 110 -16.005  10.639  -5.088
  868   1HB   GLU 110          2HB       GLU 110 -18.482  10.614  -4.802
  869   2HB   GLU 110          3HB       GLU 110 -17.828  12.136  -5.390
  870   1HG   GLU 110          2HG       GLU 110 -18.558  11.627  -7.635
  871   2HG   GLU 110          3HG       GLU 110 -19.112  10.033  -7.119
  872    H    GLU 111           HN       GLU 111 -14.857   8.658  -6.186
  873    HA   GLU 111           HA       GLU 111 -16.302   6.490  -7.148
  874   1HB   GLU 111          2HB       GLU 111 -13.662   6.607  -5.674
  875   2HB   GLU 111          3HB       GLU 111 -14.275   5.144  -6.469
  876   1HG   GLU 111          2HG       GLU 111 -13.632   7.780  -7.778
  877   2HG   GLU 111          3HG       GLU 111 -12.719   6.276  -7.914
  878    HA   PRO 112           HA       PRO 112 -18.223   5.129  -3.435
  879   1HB   PRO 112          2HB       PRO 112 -19.971   3.500  -4.621
  880   2HB   PRO 112          3HB       PRO 112 -20.123   5.254  -4.719
  881   1HG   PRO 112          2HG       PRO 112 -19.311   3.307  -6.780
  882   2HG   PRO 112          3HG       PRO 112 -19.982   4.933  -6.973
  883   1HD   PRO 112          2HD       PRO 112 -17.242   4.130  -7.159
  884   2HD   PRO 112          3HD       PRO 112 -17.914   5.763  -7.296
  885    H    ASP 113           HN       ASP 113 -15.868   3.949  -3.538
  886    HA   ASP 113           HA       ASP 113 -15.433   1.431  -4.384
  887   1HB   ASP 113          2HB       ASP 113 -14.460   2.600  -1.775
  888   2HB   ASP 113          3HB       ASP 113 -13.759   1.193  -2.576
  889    H    ALA 114           HN       ALA 114 -16.508   2.112  -1.051
  890    HA   ALA 114           HA       ALA 114 -17.043  -0.709  -0.656
  891   1HB   ALA 114          1HB       ALA 114 -16.274  -0.105   1.357
  892   2HB   ALA 114          2HB       ALA 114 -16.601   1.603   1.062
  893   3HB   ALA 114          3HB       ALA 114 -17.891   0.546   1.634
  894    H    GLU 115           HN       GLU 115 -18.798   2.310  -0.828
  895    HA   GLU 115           HA       GLU 115 -21.296   0.920  -1.356
  896   1HB   GLU 115          2HB       GLU 115 -20.866   2.865   0.927
  897   2HB   GLU 115          3HB       GLU 115 -22.445   2.413   0.320
  898   1HG   GLU 115          2HG       GLU 115 -20.451   0.483   1.477
  899   2HG   GLU 115          3HG       GLU 115 -21.770   1.226   2.381
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  20.985   5.221  -1.281
    2   2H    MET   1          2H        MET   1  19.675   6.016  -0.560
    3   3H    MET   1          3H        MET   1  20.560   4.874   0.323
    4    HA   MET   1           HA       MET   1  21.569   6.681   1.165
    5   1HB   MET   1          2HB       MET   1  23.281   5.475  -0.096
    6   2HB   MET   1          3HB       MET   1  22.881   6.381  -1.547
    7   1HG   MET   1          2HG       MET   1  23.612   8.445  -0.426
    8   2HG   MET   1          3HG       MET   1  24.076   7.490   0.981
    9   1HE   MET   1          1HE       MET   1  25.732   8.021  -3.055
   10   2HE   MET   1          2HE       MET   1  25.424   6.284  -3.045
   11   3HE   MET   1          3HE       MET   1  24.114   7.415  -2.702
   12    H    SER   2           HN       SER   2  21.365   7.548  -2.290
   13    HA   SER   2           HA       SER   2  20.529  10.248  -1.582
   14   1HB   SER   2          2HB       SER   2  20.543  10.603  -4.061
   15   2HB   SER   2          3HB       SER   2  22.104  10.084  -3.426
   16    HG   SER   2           HG       SER   2  20.859   8.997  -5.386
   17    H    THR   3           HN       THR   3  18.442  10.871  -1.613
   18    HA   THR   3           HA       THR   3  16.153  10.754  -1.775
   19    HB   THR   3           HB       THR   3  16.611   8.279  -3.464
   20    HG1  THR   3           1HG      THR   3  17.334   9.987  -4.636
   21   1HG2  THR   3          1HG2      THR   3  14.098   9.930  -3.188
   22   2HG2  THR   3          2HG2      THR   3  14.374   8.397  -2.358
   23   3HG2  THR   3          3HG2      THR   3  14.305   8.447  -4.120
   24    H    THR   4           HN       THR   4  14.879  10.059  -0.141
   25    HA   THR   4           HA       THR   4  15.108   7.381   0.944
   26    HB   THR   4           HB       THR   4  15.747   9.734   2.758
   27    HG1  THR   4           1HG      THR   4  17.428   8.071   1.202
   28   1HG2  THR   4          1HG2      THR   4  15.550   6.793   3.101
   29   2HG2  THR   4          2HG2      THR   4  15.192   8.089   4.243
   30   3HG2  THR   4          3HG2      THR   4  16.864   7.610   3.949
   31    H    ILE   5           HN       ILE   5  13.937   8.429   3.531
   32    HA   ILE   5           HA       ILE   5  11.248   8.122   3.011
   33    HB   ILE   5           HB       ILE   5  12.624   9.484   5.322
   34   1HG1  ILE   5          2HG1      ILE   5  11.237   6.813   5.169
   35   2HG1  ILE   5          3HG1      ILE   5  12.965   7.005   4.885
   36   1HG2  ILE   5          1HG2      ILE   5  10.393  10.364   5.230
   37   2HG2  ILE   5          2HG2      ILE   5   9.724   8.747   4.990
   38   3HG2  ILE   5          3HG2      ILE   5  10.479   9.172   6.529
   39   1HD1  ILE   5          1HD1      ILE   5  11.408   7.169   7.401
   40   2HD1  ILE   5          2HD1      ILE   5  12.981   6.434   7.087
   41   3HD1  ILE   5          3HD1      ILE   5  12.841   8.185   7.248
   42    H    GLU   6           HN       GLU   6  13.088  11.145   3.210
   43    HA   GLU   6           HA       GLU   6  10.995  12.951   3.253
   44   1HB   GLU   6          2HB       GLU   6  13.542  13.282   1.653
   45   2HB   GLU   6          3HB       GLU   6  12.525  14.570   2.285
   46   1HG   GLU   6          2HG       GLU   6  13.099  13.932   4.557
   47   2HG   GLU   6          3HG       GLU   6  14.088  12.605   3.946
   48    H    LYS   7           HN       LYS   7  12.572  11.545   0.407
   49    HA   LYS   7           HA       LYS   7  10.709  12.686  -1.444
   50   1HB   LYS   7          2HB       LYS   7  12.861  10.596  -1.707
   51   2HB   LYS   7          3HB       LYS   7  11.774  10.971  -3.034
   52   1HG   LYS   7          2HG       LYS   7  13.857  12.162  -3.296
   53   2HG   LYS   7          3HG       LYS   7  12.545  13.297  -3.001
   54   1HD   LYS   7          2HD       LYS   7  13.243  13.451  -0.643
   55   2HD   LYS   7          3HD       LYS   7  14.590  12.364  -0.991
   56   1HE   LYS   7          2HE       LYS   7  15.468  13.963  -2.614
   57   2HE   LYS   7          3HE       LYS   7  14.114  15.044  -2.291
   58   1HZ   LYS   7          1HZ       LYS   7  15.096  14.703   0.165
   59   2HZ   LYS   7          2HZ       LYS   7  15.555  15.964  -0.864
   60   3HZ   LYS   7          3HZ       LYS   7  16.519  14.573  -0.745
   61    H    ILE   8           HN       ILE   8  11.094   9.579   0.167
   62    HA   ILE   8           HA       ILE   8   9.180   8.124  -1.231
   63    HB   ILE   8           HB       ILE   8  10.124   7.889   1.613
   64   1HG1  ILE   8          2HG1      ILE   8  10.678   6.247  -0.866
   65   2HG1  ILE   8          3HG1      ILE   8  11.763   7.452  -0.180
   66   1HG2  ILE   8          1HG2      ILE   8   8.569   6.393   2.084
   67   2HG2  ILE   8          2HG2      ILE   8   7.771   6.785   0.559
   68   3HG2  ILE   8          3HG2      ILE   8   8.951   5.474   0.627
   69   1HD1  ILE   8          1HD1      ILE   8  11.686   4.732   0.378
   70   2HD1  ILE   8          2HD1      ILE   8  12.611   5.973   1.226
   71   3HD1  ILE   8          3HD1      ILE   8  11.007   5.518   1.805
   72    H    GLN   9           HN       GLN   9   8.741  10.089   1.737
   73    HA   GLN   9           HA       GLN   9   5.985   9.549   1.938
   74   1HB   GLN   9          2HB       GLN   9   7.625  11.845   2.984
   75   2HB   GLN   9          3HB       GLN   9   5.890  11.730   3.255
   76   1HG   GLN   9          2HG       GLN   9   6.271   9.510   4.307
   77   2HG   GLN   9          3HG       GLN   9   8.004   9.794   4.160
   78   1HE2  GLN   9          1HE2      GLN   9   8.782  10.251   6.090
   79   2HE2  GLN   9          2HE2      GLN   9   8.072  11.324   7.250
   80    H    ARG  10           HN       ARG  10   7.752  11.836   0.000
   81    HA   ARG  10           HA       ARG  10   5.566  13.404  -0.859
   82   1HB   ARG  10          2HB       ARG  10   8.178  12.709  -2.196
   83   2HB   ARG  10          3HB       ARG  10   7.001  13.820  -2.896
   84   1HG   ARG  10          2HG       ARG  10   8.246  14.131  -0.179
   85   2HG   ARG  10          3HG       ARG  10   8.788  14.958  -1.644
   86   1HD   ARG  10          2HD       ARG  10   6.891  16.270  -1.766
   87   2HD   ARG  10          3HD       ARG  10   5.920  15.136  -0.828
   88    HE   ARG  10           HE       ARG  10   7.849  16.003   0.884
   89   1HH1  ARG  10          2HH1      ARG  10   5.388  17.544  -1.053
   90   2HH1  ARG  10          1HH1      ARG  10   5.058  18.793   0.112
   91   1HH2  ARG  10          2HH2      ARG  10   7.463  17.644   2.420
   92   2HH2  ARG  10          1HH2      ARG  10   6.237  18.841   2.112
   93    H    GLN  11           HN       GLN  11   6.875  10.301  -1.856
   94    HA   GLN  11           HA       GLN  11   5.137   9.977  -4.116
   95   1HB   GLN  11          2HB       GLN  11   7.198   8.772  -4.154
   96   2HB   GLN  11          3HB       GLN  11   6.863   8.030  -2.595
   97   1HG   GLN  11          2HG       GLN  11   5.069   6.739  -3.537
   98   2HG   GLN  11          3HG       GLN  11   5.239   7.562  -5.086
   99   1HE2  GLN  11          1HE2      GLN  11   6.103   6.314  -6.524
  100   2HE2  GLN  11          2HE2      GLN  11   7.391   5.178  -6.275
  101    H    ILE  12           HN       ILE  12   5.150   8.760  -0.780
  102    HA   ILE  12           HA       ILE  12   2.859   7.157  -1.086
  103    HB   ILE  12           HB       ILE  12   3.800   8.499   1.455
  104   1HG1  ILE  12          2HG1      ILE  12   4.561   5.848   0.215
  105   2HG1  ILE  12          3HG1      ILE  12   5.622   7.210   0.569
  106   1HG2  ILE  12          1HG2      ILE  12   1.447   7.416   1.242
  107   2HG2  ILE  12          2HG2      ILE  12   2.347   5.895   1.329
  108   3HG2  ILE  12          3HG2      ILE  12   2.453   7.062   2.649
  109   1HD1  ILE  12          1HD1      ILE  12   4.172   6.145   2.873
  110   2HD1  ILE  12          2HD1      ILE  12   5.351   5.051   2.145
  111   3HD1  ILE  12          3HD1      ILE  12   5.856   6.645   2.708
  112    H    ALA  13           HN       ALA  13   3.292  10.471  -0.072
  113    HA   ALA  13           HA       ALA  13   0.610  11.014   0.575
  114   1HB   ALA  13          1HB       ALA  13   1.496  13.445  -0.136
  115   2HB   ALA  13          2HB       ALA  13   1.884  12.678   1.405
  116   3HB   ALA  13          3HB       ALA  13   3.036  12.610   0.070
  117    H    GLU  14           HN       GLU  14   2.399  11.332  -2.490
  118    HA   GLU  14           HA       GLU  14   0.392  12.760  -3.819
  119   1HB   GLU  14          2HB       GLU  14   1.520  12.283  -5.893
  120   2HB   GLU  14          3HB       GLU  14   2.707  12.649  -4.651
  121   1HG   GLU  14          2HG       GLU  14   3.146  10.282  -4.371
  122   2HG   GLU  14          3HG       GLU  14   1.958   9.903  -5.614
  123    H    ASN  15           HN       ASN  15   0.919   9.276  -3.519
  124    HA   ASN  15           HA       ASN  15  -1.193   8.666  -5.379
  125   1HB   ASN  15          2HB       ASN  15   0.353   6.925  -3.454
  126   2HB   ASN  15          3HB       ASN  15  -0.846   6.313  -4.589
  127   1HD2  ASN  15          1HD2      ASN  15   2.364   6.745  -4.127
  128   2HD2  ASN  15          2HD2      ASN  15   2.899   6.783  -5.773
  129    HA   PRO  16           HA       PRO  16  -4.555   9.234  -2.533
  130   1HB   PRO  16          2HB       PRO  16  -6.420   7.908  -4.035
  131   2HB   PRO  16          3HB       PRO  16  -5.898   9.566  -4.354
  132   1HG   PRO  16          2HG       PRO  16  -5.006   7.026  -5.655
  133   2HG   PRO  16          3HG       PRO  16  -5.405   8.588  -6.398
  134   1HD   PRO  16          2HD       PRO  16  -2.867   7.835  -5.991
  135   2HD   PRO  16          3HD       PRO  16  -3.370   9.528  -5.811
  136    H    ILE  17           HN       ILE  17  -3.989   6.106  -4.042
  137    HA   ILE  17           HA       ILE  17  -4.449   4.806  -1.447
  138    HB   ILE  17           HB       ILE  17  -5.307   3.618  -4.100
  139   1HG1  ILE  17          2HG1      ILE  17  -6.774   5.526  -3.576
  140   2HG1  ILE  17          3HG1      ILE  17  -7.630   3.997  -3.443
  141   1HG2  ILE  17          1HG2      ILE  17  -6.340   1.896  -2.801
  142   2HG2  ILE  17          2HG2      ILE  17  -4.662   2.065  -2.281
  143   3HG2  ILE  17          3HG2      ILE  17  -5.962   2.740  -1.297
  144   1HD1  ILE  17          1HD1      ILE  17  -7.494   6.063  -1.564
  145   2HD1  ILE  17          2HD1      ILE  17  -8.210   4.460  -1.359
  146   3HD1  ILE  17          3HD1      ILE  17  -6.531   4.738  -0.896
  147    H    LEU  18           HN       LEU  18  -2.597   3.729  -0.956
  148    HA   LEU  18           HA       LEU  18  -0.859   3.003  -3.218
  149   1HB   LEU  18          2HB       LEU  18  -0.229   5.159  -2.172
  150   2HB   LEU  18          3HB       LEU  18   0.014   4.317  -0.653
  151    HG   LEU  18           HG       LEU  18   1.830   3.011  -1.645
  152   1HD1  LEU  18          1HD1      LEU  18   2.249   2.892  -3.836
  153   2HD1  LEU  18          2HD1      LEU  18   0.646   3.600  -4.048
  154   3HD1  LEU  18          3HD1      LEU  18   2.078   4.635  -4.054
  155   1HD2  LEU  18          1HD2      LEU  18   3.412   4.868  -1.972
  156   2HD2  LEU  18          2HD2      LEU  18   2.052   5.984  -2.072
  157   3HD2  LEU  18          3HD2      LEU  18   2.367   5.113  -0.570
  158    H    LEU  19           HN       LEU  19   0.421   1.271  -3.002
  159    HA   LEU  19           HA       LEU  19   0.184  -0.349  -0.569
  160   1HB   LEU  19          2HB       LEU  19  -1.453  -1.279  -1.951
  161   2HB   LEU  19          3HB       LEU  19  -0.519  -1.004  -3.405
  162    HG   LEU  19           HG       LEU  19   0.999  -2.816  -2.789
  163   1HD1  LEU  19          1HD1      LEU  19   1.092  -3.627  -0.706
  164   2HD1  LEU  19          2HD1      LEU  19  -0.217  -2.542  -0.227
  165   3HD1  LEU  19          3HD1      LEU  19  -0.587  -4.159  -0.829
  166   1HD2  LEU  19          1HD2      LEU  19  -1.863  -3.737  -2.695
  167   2HD2  LEU  19          2HD2      LEU  19  -1.068  -3.130  -4.150
  168   3HD2  LEU  19          3HD2      LEU  19  -0.467  -4.588  -3.358
  169    H    TYR  20           HN       TYR  20   2.179  -0.803   0.131
  170    HA   TYR  20           HA       TYR  20   4.346  -0.964  -1.842
  171   1HB   TYR  20          2HB       TYR  20   4.289  -0.580   1.128
  172   2HB   TYR  20          3HB       TYR  20   5.742  -1.208   0.351
  173    HD1  TYR  20           1HD      TYR  20   3.317   1.590  -0.335
  174    HD2  TYR  20           2HD      TYR  20   7.369   0.345   0.016
  175    HE1  TYR  20           1HE      TYR  20   4.069   3.858  -0.891
  176    HE2  TYR  20           2HE      TYR  20   8.129   2.613  -0.532
  177    HH   TYR  20           HH       TYR  20   7.028   4.650  -1.894
  178    H    MET  21           HN       MET  21   4.861  -2.879  -2.584
  179    HA   MET  21           HA       MET  21   4.824  -5.177  -0.804
  180   1HB   MET  21          2HB       MET  21   3.592  -6.503  -2.477
  181   2HB   MET  21          3HB       MET  21   2.631  -5.245  -1.730
  182   1HG   MET  21          2HG       MET  21   2.889  -3.871  -3.735
  183   2HG   MET  21          3HG       MET  21   3.853  -5.150  -4.479
  184   1HE   MET  21          1HE       MET  21   1.908  -5.266  -6.674
  185   2HE   MET  21          2HE       MET  21   0.222  -5.026  -6.212
  186   3HE   MET  21          3HE       MET  21   1.436  -3.823  -5.776
  187    H    LYS  22           HN       LYS  22   5.312  -7.173  -2.622
  188    HA   LYS  22           HA       LYS  22   7.891  -6.354  -3.775
  189   1HB   LYS  22          2HB       LYS  22   7.935  -8.414  -2.356
  190   2HB   LYS  22          3HB       LYS  22   6.768  -9.157  -3.447
  191   1HG   LYS  22          2HG       LYS  22   8.408  -8.873  -5.300
  192   2HG   LYS  22          3HG       LYS  22   9.579  -8.297  -4.117
  193   1HD   LYS  22          2HD       LYS  22   8.276 -11.018  -4.130
  194   2HD   LYS  22          3HD       LYS  22   9.915 -10.658  -4.667
  195   1HE   LYS  22          2HE       LYS  22  10.499  -9.937  -2.410
  196   2HE   LYS  22          3HE       LYS  22   8.853 -10.270  -1.873
  197   1HZ   LYS  22          1HZ       LYS  22   9.658 -12.594  -3.056
  198   2HZ   LYS  22          2HZ       LYS  22   9.592 -12.291  -1.388
  199   3HZ   LYS  22          3HZ       LYS  22  11.046 -12.067  -2.233
  200    H    GLY  23           HN       GLY  23   8.160  -6.427  -5.970
  201   1HA   GLY  23          1HA       GLY  23   6.036  -7.772  -7.451
  202   2HA   GLY  23          2HA       GLY  23   6.305  -6.099  -7.849
  203    H    SER  24           HN       SER  24   6.606  -8.773  -9.116
  204    HA   SER  24           HA       SER  24   9.366  -8.554 -10.105
  205   1HB   SER  24          2HB       SER  24   8.942 -10.578  -8.741
  206   2HB   SER  24          3HB       SER  24   7.604 -11.005  -9.804
  207    HG   SER  24           HG       SER  24  10.364 -10.862 -10.446
  208    HA   PRO  25           HA       PRO  25   7.758  -7.764 -14.181
  209   1HB   PRO  25          2HB       PRO  25   9.456 -10.035 -15.105
  210   2HB   PRO  25          3HB       PRO  25   9.349  -8.384 -15.727
  211   1HG   PRO  25          2HG       PRO  25  11.422  -9.136 -14.238
  212   2HG   PRO  25          3HG       PRO  25  10.709  -7.523 -14.060
  213   1HD   PRO  25          2HD       PRO  25  10.467  -9.911 -12.290
  214   2HD   PRO  25          3HD       PRO  25  10.514  -8.187 -11.866
  215    H    LYS  26           HN       LYS  26   8.088 -11.154 -13.213
  216    HA   LYS  26           HA       LYS  26   6.039 -12.130 -14.939
  217   1HB   LYS  26          2HB       LYS  26   6.178 -14.201 -13.604
  218   2HB   LYS  26          3HB       LYS  26   7.743 -13.653 -14.181
  219   1HG   LYS  26          2HG       LYS  26   8.291 -12.798 -11.983
  220   2HG   LYS  26          3HG       LYS  26   6.685 -13.237 -11.392
  221   1HD   LYS  26          2HD       LYS  26   7.153 -15.589 -11.841
  222   2HD   LYS  26          3HD       LYS  26   8.746 -15.164 -12.463
  223   1HE   LYS  26          2HE       LYS  26   7.801 -14.647  -9.646
  224   2HE   LYS  26          3HE       LYS  26   8.781 -16.025 -10.138
  225   1HZ   LYS  26          1HZ       LYS  26  10.593 -14.792 -10.004
  226   2HZ   LYS  26          2HZ       LYS  26   9.674 -13.516  -9.378
  227   3HZ   LYS  26          3HZ       LYS  26   9.962 -13.617 -11.045
  228    H    LEU  27           HN       LEU  27   6.104 -10.937 -11.636
  229    HA   LEU  27           HA       LEU  27   3.221 -10.656 -11.600
  230   1HB   LEU  27          2HB       LEU  27   3.572 -13.000 -10.899
  231   2HB   LEU  27          3HB       LEU  27   4.662 -12.448  -9.639
  232    HG   LEU  27           HG       LEU  27   2.761 -11.260  -8.563
  233   1HD1  LEU  27          1HD1      LEU  27   1.340 -10.900 -10.478
  234   2HD1  LEU  27          2HD1      LEU  27   1.158 -12.639 -10.708
  235   3HD1  LEU  27          3HD1      LEU  27   0.475 -11.862  -9.279
  236   1HD2  LEU  27          1HD2      LEU  27   2.440 -14.217  -9.035
  237   2HD2  LEU  27          2HD2      LEU  27   3.374 -13.438  -7.758
  238   3HD2  LEU  27          3HD2      LEU  27   1.616 -13.308  -7.769
  239    HA   PRO  28           HA       PRO  28   5.078  -7.230  -9.313
  240   1HB   PRO  28          2HB       PRO  28   2.842  -5.722  -9.225
  241   2HB   PRO  28          3HB       PRO  28   3.870  -5.822 -10.649
  242   1HG   PRO  28          2HG       PRO  28   1.284  -7.181 -10.044
  243   2HG   PRO  28          3HG       PRO  28   1.855  -6.480 -11.569
  244   1HD   PRO  28          2HD       PRO  28   1.903  -9.132 -11.037
  245   2HD   PRO  28          3HD       PRO  28   3.063  -8.339 -12.111
  246    H    SER  29           HN       SER  29   3.947  -9.555  -7.925
  247    HA   SER  29           HA       SER  29   3.846  -8.442  -5.367
  248   1HB   SER  29          2HB       SER  29   1.594  -9.412  -4.757
  249   2HB   SER  29          3HB       SER  29   1.620  -7.910  -5.667
  250    HG   SER  29           HG       SER  29   0.566 -10.339  -6.334
  251    H    CYS  30           HN       CYS  30   5.544 -10.186  -6.395
  252    HA   CYS  30           HA       CYS  30   4.911 -12.920  -5.852
  253   1HB   CYS  30          2HB       CYS  30   6.610 -12.182  -7.502
  254   2HB   CYS  30          3HB       CYS  30   7.594 -11.597  -6.167
  255    HG   CYS  30           HG       CYS  30   8.191 -14.053  -5.118
  256    H    GLY  31           HN       GLY  31   4.154 -11.776  -3.580
  257   1HA   GLY  31          1HA       GLY  31   5.999 -12.905  -1.628
  258   2HA   GLY  31          2HA       GLY  31   5.735 -11.168  -1.487
  259    H    PHE  32           HN       PHE  32   4.632 -11.126   0.438
  260    HA   PHE  32           HA       PHE  32   2.404 -12.884   0.933
  261   1HB   PHE  32          2HB       PHE  32   3.335 -10.413   2.400
  262   2HB   PHE  32          3HB       PHE  32   1.955 -11.385   2.893
  263    HD1  PHE  32           1HD      PHE  32   5.594 -11.674   2.175
  264    HD2  PHE  32           2HD      PHE  32   2.222 -13.100   4.329
  265    HE1  PHE  32           1HE      PHE  32   7.066 -13.173   3.466
  266    HE2  PHE  32           2HE      PHE  32   3.684 -14.592   5.642
  267    HZ   PHE  32           HZ       PHE  32   6.105 -14.630   5.206
  268    H    SER  33           HN       SER  33   2.938  -9.650  -0.170
  269    HA   SER  33           HA       SER  33   0.408  -8.579  -0.064
  270   1HB   SER  33          2HB       SER  33   1.167  -7.208  -2.008
  271   2HB   SER  33          3HB       SER  33   2.307  -7.258  -0.659
  272    HG   SER  33           HG       SER  33   2.691  -7.991  -3.202
  273    H    ALA  34           HN       ALA  34   1.597 -11.117  -2.072
  274    HA   ALA  34           HA       ALA  34   0.021 -11.058  -4.311
  275   1HB   ALA  34          1HB       ALA  34   1.777 -12.807  -3.410
  276   2HB   ALA  34          2HB       ALA  34   0.318 -13.665  -2.911
  277   3HB   ALA  34          3HB       ALA  34   0.563 -13.256  -4.608
  278    H    GLN  35           HN       GLN  35  -0.928 -12.275  -1.059
  279    HA   GLN  35           HA       GLN  35  -3.563 -12.847  -2.092
  280   1HB   GLN  35          2HB       GLN  35  -4.011 -14.011  -0.186
  281   2HB   GLN  35          3HB       GLN  35  -2.257 -14.044  -0.095
  282   1HG   GLN  35          2HG       GLN  35  -3.888 -11.972   1.320
  283   2HG   GLN  35          3HG       GLN  35  -3.536 -13.547   2.023
  284   1HE2  GLN  35          1HE2      GLN  35  -2.586 -10.429   1.828
  285   2HE2  GLN  35          2HE2      GLN  35  -0.948 -10.597   2.358
  286    H    ALA  36           HN       ALA  36  -2.024 -10.301  -0.257
  287    HA   ALA  36           HA       ALA  36  -4.374  -8.995   0.628
  288   1HB   ALA  36          1HB       ALA  36  -3.005  -7.450   1.583
  289   2HB   ALA  36          2HB       ALA  36  -1.858  -8.776   1.375
  290   3HB   ALA  36          3HB       ALA  36  -1.874  -7.434   0.226
  291    H    VAL  37           HN       VAL  37  -2.285  -8.452  -2.173
  292    HA   VAL  37           HA       VAL  37  -3.389  -6.096  -3.148
  293    HB   VAL  37           HB       VAL  37  -1.338  -7.131  -4.044
  294   1HG1  VAL  37          1HG1      VAL  37  -3.041  -9.028  -5.622
  295   2HG1  VAL  37          2HG1      VAL  37  -1.287  -9.010  -5.436
  296   3HG1  VAL  37          3HG1      VAL  37  -2.313  -9.470  -4.078
  297   1HG2  VAL  37          1HG2      VAL  37  -3.204  -6.917  -6.371
  298   2HG2  VAL  37          2HG2      VAL  37  -2.858  -5.505  -5.368
  299   3HG2  VAL  37          3HG2      VAL  37  -1.544  -6.335  -6.208
  300    H    GLN  38           HN       GLN  38  -4.464  -9.419  -3.481
  301    HA   GLN  38           HA       GLN  38  -6.516  -8.973  -5.376
  302   1HB   GLN  38          2HB       GLN  38  -6.646 -11.099  -3.253
  303   2HB   GLN  38          3HB       GLN  38  -7.236 -11.165  -4.906
  304   1HG   GLN  38          2HG       GLN  38  -4.365 -11.235  -4.007
  305   2HG   GLN  38          3HG       GLN  38  -5.310 -12.581  -4.636
  306   1HE2  GLN  38          1HE2      GLN  38  -6.327 -10.145  -6.519
  307   2HE2  GLN  38          2HE2      GLN  38  -5.128 -10.182  -7.774
  308    H    ALA  39           HN       ALA  39  -6.457  -9.098  -1.842
  309    HA   ALA  39           HA       ALA  39  -9.181  -8.765  -1.341
  310   1HB   ALA  39          1HB       ALA  39  -8.506  -8.868   0.772
  311   2HB   ALA  39          2HB       ALA  39  -6.840  -8.896   0.186
  312   3HB   ALA  39          3HB       ALA  39  -7.602  -7.362   0.612
  313    H    LEU  40           HN       LEU  40  -6.637  -6.324  -1.757
  314    HA   LEU  40           HA       LEU  40  -8.151  -4.083  -1.066
  315   1HB   LEU  40          2HB       LEU  40  -5.593  -4.485  -1.728
  316   2HB   LEU  40          3HB       LEU  40  -6.165  -3.867  -3.254
  317    HG   LEU  40           HG       LEU  40  -6.237  -2.415  -0.608
  318   1HD1  LEU  40          1HD1      LEU  40  -4.875  -1.136  -2.821
  319   2HD1  LEU  40          2HD1      LEU  40  -4.324  -1.454  -1.173
  320   3HD1  LEU  40          3HD1      LEU  40  -4.170  -2.704  -2.410
  321   1HD2  LEU  40          1HD2      LEU  40  -7.781  -1.049  -1.403
  322   2HD2  LEU  40          2HD2      LEU  40  -6.779  -0.708  -2.815
  323   3HD2  LEU  40          3HD2      LEU  40  -7.922  -2.053  -2.848
  324    H    ALA  41           HN       ALA  41  -7.303  -5.251  -4.301
  325    HA   ALA  41           HA       ALA  41  -8.907  -3.480  -5.751
  326   1HB   ALA  41          1HB       ALA  41  -7.897  -4.473  -7.469
  327   2HB   ALA  41          2HB       ALA  41  -7.146  -5.585  -6.324
  328   3HB   ALA  41          3HB       ALA  41  -8.673  -6.014  -7.097
  329    H    ALA  42           HN       ALA  42  -9.562  -6.525  -4.216
  330    HA   ALA  42           HA       ALA  42 -12.078  -6.981  -5.482
  331   1HB   ALA  42          1HB       ALA  42 -12.391  -8.782  -3.972
  332   2HB   ALA  42          2HB       ALA  42 -10.672  -8.744  -4.374
  333   3HB   ALA  42          3HB       ALA  42 -11.231  -8.109  -2.825
  334    H    CYS  43           HN       CYS  43 -11.222  -5.721  -2.251
  335    HA   CYS  43           HA       CYS  43 -13.962  -5.316  -1.594
  336   1HB   CYS  43          2HB       CYS  43 -13.119  -4.238   0.442
  337   2HB   CYS  43          3HB       CYS  43 -12.382  -5.788   0.145
  338    HG   CYS  43           HG       CYS  43  -9.950  -4.846  -0.647
  339    H    GLY  44           HN       GLY  44 -11.300  -3.100  -2.368
  340   1HA   GLY  44          1HA       GLY  44 -13.238  -0.908  -2.594
  341   2HA   GLY  44          2HA       GLY  44 -11.494  -0.732  -2.459
  342    H    GLU  45           HN       GLU  45 -10.848   0.268  -4.186
  343    HA   GLU  45           HA       GLU  45 -11.476  -0.809  -6.824
  344   1HB   GLU  45          2HB       GLU  45 -11.931   2.016  -5.908
  345   2HB   GLU  45          3HB       GLU  45 -11.629   1.649  -7.601
  346   1HG   GLU  45          2HG       GLU  45 -13.836   0.420  -5.971
  347   2HG   GLU  45          3HG       GLU  45 -14.029   1.834  -7.009
  348    H    ARG  46           HN       ARG  46 -10.193   1.503  -8.084
  349    HA   ARG  46           HA       ARG  46  -7.710   0.395  -8.450
  350   1HB   ARG  46          2HB       ARG  46  -8.523   3.269  -8.897
  351   2HB   ARG  46          3HB       ARG  46  -7.080   2.517  -9.559
  352   1HG   ARG  46          2HG       ARG  46  -9.923   1.749 -10.165
  353   2HG   ARG  46          3HG       ARG  46  -8.824   2.640 -11.212
  354   1HD   ARG  46          2HD       ARG  46  -8.515  -0.205 -10.281
  355   2HD   ARG  46          3HD       ARG  46  -8.921   0.327 -11.908
  356    HE   ARG  46           HE       ARG  46  -6.340   0.026 -10.845
  357   1HH1  ARG  46          2HH1      ARG  46  -8.141   2.249 -12.903
  358   2HH1  ARG  46          1HH1      ARG  46  -6.710   2.820 -13.710
  359   1HH2  ARG  46          2HH2      ARG  46  -4.497   0.791 -11.903
  360   2HH2  ARG  46          1HH2      ARG  46  -4.653   1.970 -13.176
  361    H    PHE  47           HN       PHE  47  -5.659   0.898  -7.927
  362    HA   PHE  47           HA       PHE  47  -5.092   2.765  -5.803
  363   1HB   PHE  47          2HB       PHE  47  -4.317   1.126  -4.225
  364   2HB   PHE  47          3HB       PHE  47  -5.980   0.753  -4.647
  365    HD1  PHE  47           1HD      PHE  47  -2.451  -0.230  -5.302
  366    HD2  PHE  47           2HD      PHE  47  -6.572  -1.339  -5.481
  367    HE1  PHE  47           1HE      PHE  47  -1.804  -2.560  -5.771
  368    HE2  PHE  47           2HE      PHE  47  -5.918  -3.674  -5.936
  369    HZ   PHE  47           HZ       PHE  47  -3.539  -4.279  -6.096
  370    H    ALA  48           HN       ALA  48  -2.846   2.972  -5.393
  371    HA   ALA  48           HA       ALA  48  -1.196   2.115  -7.654
  372   1HB   ALA  48          1HB       ALA  48  -1.222   4.503  -5.943
  373   2HB   ALA  48          2HB       ALA  48   0.379   3.857  -6.308
  374   3HB   ALA  48          3HB       ALA  48  -0.709   4.312  -7.619
  375    H    TYR  49           HN       TYR  49   1.026   1.418  -7.159
  376    HA   TYR  49           HA       TYR  49   1.311   0.249  -4.478
  377   1HB   TYR  49          2HB       TYR  49   1.454  -1.950  -5.219
  378   2HB   TYR  49          3HB       TYR  49   0.202  -1.321  -6.285
  379    HD1  TYR  49           1HD      TYR  49   0.554  -1.249  -8.653
  380    HD2  TYR  49           2HD      TYR  49   3.738  -2.235  -6.023
  381    HE1  TYR  49           1HE      TYR  49   1.905  -1.986 -10.575
  382    HE2  TYR  49           2HE      TYR  49   5.110  -2.947  -7.924
  383    HH   TYR  49           HH       TYR  49   5.270  -2.593 -10.317
  384    H    VAL  50           HN       VAL  50   3.520  -0.365  -4.027
  385    HA   VAL  50           HA       VAL  50   5.531   0.564  -5.965
  386    HB   VAL  50           HB       VAL  50   5.661   1.136  -2.985
  387   1HG1  VAL  50          1HG1      VAL  50   7.480   2.751  -4.295
  388   2HG1  VAL  50          2HG1      VAL  50   7.844   1.294  -3.367
  389   3HG1  VAL  50          3HG1      VAL  50   7.625   1.195  -5.115
  390   1HG2  VAL  50          1HG2      VAL  50   4.233   2.531  -4.955
  391   2HG2  VAL  50          2HG2      VAL  50   4.591   3.048  -3.307
  392   3HG2  VAL  50          3HG2      VAL  50   5.678   3.489  -4.626
  393    H    ASP  51           HN       ASP  51   7.064  -0.934  -6.276
  394    HA   ASP  51           HA       ASP  51   7.039  -3.301  -4.632
  395   1HB   ASP  51          2HB       ASP  51   8.706  -4.189  -6.208
  396   2HB   ASP  51          3HB       ASP  51   7.263  -3.604  -7.024
  397    H    ILE  52           HN       ILE  52   8.387  -3.826  -3.113
  398    HA   ILE  52           HA       ILE  52  10.845  -2.328  -2.683
  399    HB   ILE  52           HB       ILE  52   9.968  -2.273  -0.155
  400   1HG1  ILE  52          2HG1      ILE  52   7.624  -1.292  -0.299
  401   2HG1  ILE  52          3HG1      ILE  52   7.553  -1.987  -1.918
  402   1HG2  ILE  52          1HG2      ILE  52   9.023   0.079  -1.490
  403   2HG2  ILE  52          2HG2      ILE  52  10.421  -0.143  -0.435
  404   3HG2  ILE  52          3HG2      ILE  52  10.562  -0.460  -2.168
  405   1HD1  ILE  52          1HD1      ILE  52   8.262  -3.737   0.368
  406   2HD1  ILE  52          2HD1      ILE  52   6.581  -3.256   0.127
  407   3HD1  ILE  52          3HD1      ILE  52   7.442  -4.121  -1.146
  408    H    LEU  53           HN       LEU  53   8.860  -5.138  -1.861
  409    HA   LEU  53           HA       LEU  53  10.955  -6.352  -0.311
  410   1HB   LEU  53          2HB       LEU  53   8.652  -7.677  -1.742
  411   2HB   LEU  53          3HB       LEU  53   9.805  -8.514  -0.734
  412    HG   LEU  53           HG       LEU  53   8.239  -8.282   0.840
  413   1HD1  LEU  53          1HD1      LEU  53   8.359  -6.083   2.062
  414   2HD1  LEU  53          2HD1      LEU  53   9.876  -6.951   1.818
  415   3HD1  LEU  53          3HD1      LEU  53   9.478  -5.567   0.798
  416   1HD2  LEU  53          1HD2      LEU  53   6.665  -7.348  -0.933
  417   2HD2  LEU  53          2HD2      LEU  53   6.330  -6.949   0.755
  418   3HD2  LEU  53          3HD2      LEU  53   7.093  -5.758  -0.297
  419    H    GLN  54           HN       GLN  54  10.666  -5.498  -3.475
  420    HA   GLN  54           HA       GLN  54  12.490  -7.576  -4.424
  421   1HB   GLN  54          2HB       GLN  54  10.558  -7.164  -5.867
  422   2HB   GLN  54          3HB       GLN  54  10.962  -5.457  -5.959
  423   1HG   GLN  54          2HG       GLN  54  12.946  -7.480  -6.888
  424   2HG   GLN  54          3HG       GLN  54  11.564  -7.089  -7.906
  425   1HE2  GLN  54          1HE2      GLN  54  11.787  -4.313  -6.559
  426   2HE2  GLN  54          2HE2      GLN  54  12.996  -3.515  -7.492
  427    H    ASN  55           HN       ASN  55  12.233  -3.995  -4.224
  428    HA   ASN  55           HA       ASN  55  15.051  -3.655  -4.826
  429   1HB   ASN  55          2HB       ASN  55  12.986  -1.673  -3.840
  430   2HB   ASN  55          3HB       ASN  55  14.646  -1.261  -4.245
  431   1HD2  ASN  55          1HD2      ASN  55  11.635  -1.052  -5.339
  432   2HD2  ASN  55          2HD2      ASN  55  11.909  -1.111  -7.050
  433    HA   PRO  56           HA       PRO  56  16.123  -4.515  -0.562
  434   1HB   PRO  56          2HB       PRO  56  18.808  -3.722  -1.482
  435   2HB   PRO  56          3HB       PRO  56  18.277  -5.227  -0.725
  436   1HG   PRO  56          2HG       PRO  56  18.891  -5.148  -3.317
  437   2HG   PRO  56          3HG       PRO  56  17.525  -6.123  -2.734
  438   1HD   PRO  56          2HD       PRO  56  17.496  -3.403  -3.990
  439   2HD   PRO  56          3HD       PRO  56  16.465  -4.801  -4.352
  440    H    ASP  57           HN       ASP  57  17.486  -1.719  -2.271
  441    HA   ASP  57           HA       ASP  57  18.258  -0.301   0.035
  442   1HB   ASP  57          2HB       ASP  57  19.120   0.090  -2.270
  443   2HB   ASP  57          3HB       ASP  57  17.570   0.790  -2.709
  444    H    ILE  58           HN       ILE  58  15.473   0.243  -2.097
  445    HA   ILE  58           HA       ILE  58  14.241   2.246  -0.548
  446    HB   ILE  58           HB       ILE  58  12.877   0.302  -2.423
  447   1HG1  ILE  58          2HG1      ILE  58  14.172   2.977  -3.012
  448   2HG1  ILE  58          3HG1      ILE  58  14.805   1.408  -3.500
  449   1HG2  ILE  58          1HG2      ILE  58  12.061   3.143  -1.985
  450   2HG2  ILE  58          2HG2      ILE  58  11.094   1.764  -2.508
  451   3HG2  ILE  58          3HG2      ILE  58  11.580   1.911  -0.819
  452   1HD1  ILE  58          1HD1      ILE  58  13.138   3.058  -4.964
  453   2HD1  ILE  58          2HD1      ILE  58  13.526   1.373  -5.309
  454   3HD1  ILE  58          3HD1      ILE  58  12.079   1.773  -4.384
  455    H    ARG  59           HN       ARG  59  14.085  -1.236  -0.480
  456    HA   ARG  59           HA       ARG  59  11.834  -1.758   1.020
  457   1HB   ARG  59          2HB       ARG  59  13.353  -3.424  -0.036
  458   2HB   ARG  59          3HB       ARG  59  14.510  -3.132   1.251
  459   1HG   ARG  59          2HG       ARG  59  12.789  -3.915   2.876
  460   2HG   ARG  59          3HG       ARG  59  11.782  -4.363   1.495
  461   1HD   ARG  59          2HD       ARG  59  14.508  -5.438   2.202
  462   2HD   ARG  59          3HD       ARG  59  12.977  -6.315   2.212
  463    HE   ARG  59           HE       ARG  59  13.433  -5.299  -0.367
  464   1HH1  ARG  59          2HH1      ARG  59  14.632  -7.755   1.830
  465   2HH1  ARG  59          1HH1      ARG  59  15.285  -8.751   0.559
  466   1HH2  ARG  59          2HH2      ARG  59  14.328  -6.588  -2.030
  467   2HH2  ARG  59          1HH2      ARG  59  15.113  -8.086  -1.638
  468    H    ALA  60           HN       ALA  60  15.060  -0.880   2.122
  469    HA   ALA  60           HA       ALA  60  14.528  -1.535   4.809
  470   1HB   ALA  60          1HB       ALA  60  16.824  -0.108   4.940
  471   2HB   ALA  60          2HB       ALA  60  16.718  -1.810   4.496
  472   3HB   ALA  60          3HB       ALA  60  16.801  -0.575   3.240
  473    H    GLU  61           HN       GLU  61  14.666   1.584   3.160
  474    HA   GLU  61           HA       GLU  61  15.075   2.977   5.539
  475   1HB   GLU  61          2HB       GLU  61  14.196   4.078   2.876
  476   2HB   GLU  61          3HB       GLU  61  14.918   5.001   4.189
  477   1HG   GLU  61          2HG       GLU  61  16.940   3.592   4.007
  478   2HG   GLU  61          3HG       GLU  61  16.218   2.794   2.611
  479    H    LEU  62           HN       LEU  62  12.133   3.240   3.476
  480    HA   LEU  62           HA       LEU  62  10.980   4.894   5.453
  481   1HB   LEU  62          2HB       LEU  62   9.124   5.268   4.060
  482   2HB   LEU  62          3HB       LEU  62  10.557   5.255   3.070
  483    HG   LEU  62           HG       LEU  62   8.820   4.235   1.832
  484   1HD1  LEU  62          1HD1      LEU  62  10.545   2.031   2.878
  485   2HD1  LEU  62          2HD1      LEU  62   9.649   2.045   1.356
  486   3HD1  LEU  62          3HD1      LEU  62  10.976   3.176   1.610
  487   1HD2  LEU  62          1HD2      LEU  62   7.329   2.632   2.541
  488   2HD2  LEU  62          2HD2      LEU  62   8.296   2.221   3.959
  489   3HD2  LEU  62          3HD2      LEU  62   7.447   3.767   3.887
  490    HA   PRO  63           HA       PRO  63   8.000   1.049   6.189
  491   1HB   PRO  63          2HB       PRO  63   9.565  -1.018   7.149
  492   2HB   PRO  63          3HB       PRO  63   8.861  -0.954   5.530
  493   1HG   PRO  63          2HG       PRO  63  11.616  -0.195   6.427
  494   2HG   PRO  63          3HG       PRO  63  11.119  -1.118   4.992
  495   1HD   PRO  63          2HD       PRO  63  11.776   1.432   4.751
  496   2HD   PRO  63          3HD       PRO  63  10.360   0.798   3.882
  497    H    LYS  64           HN       LYS  64  11.127   1.426   7.732
  498    HA   LYS  64           HA       LYS  64  10.348   1.015  10.380
  499   1HB   LYS  64          2HB       LYS  64  12.598   2.700   9.281
  500   2HB   LYS  64          3HB       LYS  64  12.434   2.195  10.960
  501   1HG   LYS  64          2HG       LYS  64  12.528  -0.156  10.238
  502   2HG   LYS  64          3HG       LYS  64  12.774   0.385   8.578
  503   1HD   LYS  64          2HD       LYS  64  14.583   0.979  10.911
  504   2HD   LYS  64          3HD       LYS  64  14.877  -0.235   9.668
  505   1HE   LYS  64          2HE       LYS  64  14.893   1.548   7.967
  506   2HE   LYS  64          3HE       LYS  64  14.667   2.743   9.245
  507   1HZ   LYS  64          1HZ       LYS  64  16.837   2.754   9.599
  508   2HZ   LYS  64          2HZ       LYS  64  17.057   1.658   8.322
  509   3HZ   LYS  64          3HZ       LYS  64  16.839   1.084   9.903
  510    H    TYR  65           HN       TYR  65  10.225   3.845   8.321
  511    HA   TYR  65           HA       TYR  65   9.605   5.678  10.392
  512   1HB   TYR  65          2HB       TYR  65   9.730   7.230   8.772
  513   2HB   TYR  65          3HB       TYR  65  10.220   5.930   7.709
  514    HD1  TYR  65           1HD      TYR  65   9.267   6.065   5.608
  515    HD2  TYR  65           2HD      TYR  65   6.936   7.270   8.971
  516    HE1  TYR  65           1HE      TYR  65   7.396   6.649   4.104
  517    HE2  TYR  65           2HE      TYR  65   5.073   7.827   7.483
  518    HH   TYR  65           HH       TYR  65   4.380   8.029   5.414
  519    H    ALA  66           HN       ALA  66   7.599   3.629   8.233
  520    HA   ALA  66           HA       ALA  66   5.163   4.791   9.189
  521   1HB   ALA  66          1HB       ALA  66   5.827   2.327   7.624
  522   2HB   ALA  66          2HB       ALA  66   4.174   2.726   8.090
  523   3HB   ALA  66          3HB       ALA  66   5.091   3.830   7.068
  524    H    ASN  67           HN       ASN  67   6.558   1.530   9.684
  525    HA   ASN  67           HA       ASN  67   6.344   1.554  12.432
  526   1HB   ASN  67          2HB       ASN  67   3.898   1.494  12.115
  527   2HB   ASN  67          3HB       ASN  67   4.053   0.012  11.183
  528   1HD2  ASN  67          1HD2      ASN  67   3.285   1.219  14.118
  529   2HD2  ASN  67          2HD2      ASN  67   3.602  -0.172  15.101
  530    H    TRP  68           HN       TRP  68   5.667  -0.659   9.822
  531    HA   TRP  68           HA       TRP  68   6.792  -2.994  10.731
  532   1HB   TRP  68          2HB       TRP  68   6.272  -1.905   7.990
  533   2HB   TRP  68          3HB       TRP  68   7.081  -3.455   8.186
  534    HD1  TRP  68           1HD      TRP  68   5.485  -5.309   7.771
  535    HE1  TRP  68           1HE      TRP  68   3.009  -5.820   8.247
  536    HE3  TRP  68           3HE      TRP  68   4.170  -0.949  10.105
  537    HZ2  TRP  68           2HZ      TRP  68   0.811  -4.570   9.461
  538    HZ3  TRP  68           3HZ      TRP  68   1.857  -0.698  10.896
  539    HH2  TRP  68           2HH      TRP  68   0.210  -2.468  10.578
  540    HA   PRO  69           HA       PRO  69  11.240  -2.686  10.175
  541   1HB   PRO  69          2HB       PRO  69  11.221  -5.491   9.351
  542   2HB   PRO  69          3HB       PRO  69  11.935  -4.762  10.790
  543   1HG   PRO  69          2HG       PRO  69   9.771  -6.374  10.904
  544   2HG   PRO  69          3HG       PRO  69  10.031  -5.041  12.041
  545   1HD   PRO  69          2HD       PRO  69   8.250  -5.158   9.635
  546   2HD   PRO  69          3HD       PRO  69   7.937  -4.451  11.236
  547    H    THR  70           HN       THR  70   9.201  -4.408   7.889
  548    HA   THR  70           HA       THR  70  10.407  -2.957   5.674
  549    HB   THR  70           HB       THR  70  10.415  -5.031   4.252
  550    HG1  THR  70           1HG      THR  70  10.501  -6.475   6.702
  551   1HG2  THR  70          1HG2      THR  70  12.307  -4.499   6.481
  552   2HG2  THR  70          2HG2      THR  70  12.564  -4.424   4.736
  553   3HG2  THR  70          3HG2      THR  70  12.525  -5.986   5.555
  554    H    PHE  71           HN       PHE  71   8.609  -5.335   4.290
  555    HA   PHE  71           HA       PHE  71   6.018  -4.061   4.829
  556   1HB   PHE  71          2HB       PHE  71   7.077  -4.481   2.016
  557   2HB   PHE  71          3HB       PHE  71   5.589  -3.665   2.468
  558    HD1  PHE  71           1HD      PHE  71   5.595  -1.302   2.795
  559    HD2  PHE  71           2HD      PHE  71   9.269  -3.457   2.680
  560    HE1  PHE  71           1HE      PHE  71   6.859   0.845   2.735
  561    HE2  PHE  71           2HE      PHE  71  10.505  -1.349   2.623
  562    HZ   PHE  71           HZ       PHE  71   9.301   0.777   2.648
  563    HA   PRO  72           HA       PRO  72   4.660  -4.750   1.884
  564   1HB   PRO  72          2HB       PRO  72   2.122  -5.733   1.889
  565   2HB   PRO  72          3HB       PRO  72   3.397  -6.335   0.826
  566   1HG   PRO  72          2HG       PRO  72   2.377  -7.463   3.397
  567   2HG   PRO  72          3HG       PRO  72   2.825  -8.303   1.901
  568   1HD   PRO  72          2HD       PRO  72   4.450  -8.211   4.056
  569   2HD   PRO  72          3HD       PRO  72   5.071  -8.255   2.396
  570    H    GLN  73           HN       GLN  73   3.167  -3.061   2.102
  571    HA   GLN  73           HA       GLN  73   1.652  -2.808   4.582
  572   1HB   GLN  73          2HB       GLN  73   3.497  -0.591   3.693
  573   2HB   GLN  73          3HB       GLN  73   2.457  -0.609   5.098
  574   1HG   GLN  73          2HG       GLN  73   3.845  -2.316   6.127
  575   2HG   GLN  73          3HG       GLN  73   4.902  -2.308   4.709
  576   1HE2  GLN  73          1HE2      GLN  73   4.596  -1.148   7.748
  577   2HE2  GLN  73          2HE2      GLN  73   5.571   0.274   7.621
  578    H    LEU  74           HN       LEU  74  -0.249  -1.878   4.157
  579    HA   LEU  74           HA       LEU  74  -0.730  -0.660   1.554
  580   1HB   LEU  74          2HB       LEU  74  -2.285  -2.346   2.297
  581   2HB   LEU  74          3HB       LEU  74  -2.600  -1.438   3.763
  582    HG   LEU  74           HG       LEU  74  -3.555   0.384   2.418
  583   1HD1  LEU  74          1HD1      LEU  74  -2.370   0.162   0.373
  584   2HD1  LEU  74          2HD1      LEU  74  -2.997  -1.468   0.127
  585   3HD1  LEU  74          3HD1      LEU  74  -4.084  -0.082   0.039
  586   1HD2  LEU  74          1HD2      LEU  74  -4.710  -1.893   3.169
  587   2HD2  LEU  74          2HD2      LEU  74  -5.572  -0.563   2.388
  588   3HD2  LEU  74          3HD2      LEU  74  -5.025  -1.943   1.435
  589    H    TRP  75           HN       TRP  75  -1.199   1.452   1.286
  590    HA   TRP  75           HA       TRP  75  -1.423   3.133   3.693
  591   1HB   TRP  75          2HB       TRP  75  -0.057   3.828   1.094
  592   2HB   TRP  75          3HB       TRP  75  -0.347   4.956   2.405
  593    HD1  TRP  75           1HD      TRP  75   1.676   1.688   1.780
  594    HE1  TRP  75           1HE      TRP  75   3.740   1.769   3.329
  595    HE3  TRP  75           3HE      TRP  75   0.585   5.955   4.323
  596    HZ2  TRP  75           2HZ      TRP  75   4.739   3.433   5.383
  597    HZ3  TRP  75           3HZ      TRP  75   2.135   6.734   6.070
  598    HH2  TRP  75           2HH      TRP  75   4.169   5.492   6.586
  599    H    VAL  76           HN       VAL  76  -3.254   4.184   3.796
  600    HA   VAL  76           HA       VAL  76  -4.860   4.553   1.344
  601    HB   VAL  76           HB       VAL  76  -5.774   4.438   4.233
  602   1HG1  VAL  76          1HG1      VAL  76  -7.240   4.933   1.672
  603   2HG1  VAL  76          2HG1      VAL  76  -8.059   4.218   3.065
  604   3HG1  VAL  76          3HG1      VAL  76  -7.322   5.820   3.195
  605   1HG2  VAL  76          1HG2      VAL  76  -6.406   2.264   3.942
  606   2HG2  VAL  76          2HG2      VAL  76  -6.607   2.440   2.199
  607   3HG2  VAL  76          3HG2      VAL  76  -4.992   2.308   2.891
  608    H    ASP  77           HN       ASP  77  -4.864   6.605   0.626
  609    HA   ASP  77           HA       ASP  77  -4.649   8.879   0.519
  610   1HB   ASP  77          2HB       ASP  77  -6.648   8.688   2.018
  611   2HB   ASP  77          3HB       ASP  77  -5.544   8.776   3.384
  612    H    GLY  78           HN       GLY  78  -2.569   7.125   1.378
  613   1HA   GLY  78          1HA       GLY  78  -0.303   7.355   1.791
  614   2HA   GLY  78          2HA       GLY  78  -0.585   9.058   2.103
  615    H    GLU  79           HN       GLU  79  -2.318   6.540   3.779
  616    HA   GLU  79           HA       GLU  79  -0.702   7.028   6.175
  617   1HB   GLU  79          2HB       GLU  79  -3.708   6.762   6.076
  618   2HB   GLU  79          3HB       GLU  79  -2.748   6.904   7.541
  619   1HG   GLU  79          2HG       GLU  79  -2.007   9.128   6.833
  620   2HG   GLU  79          3HG       GLU  79  -2.990   8.982   5.377
  621    H    LEU  80           HN       LEU  80  -0.017   5.251   7.202
  622    HA   LEU  80           HA       LEU  80  -0.226   2.779   5.917
  623   1HB   LEU  80          2HB       LEU  80   1.745   3.383   7.145
  624   2HB   LEU  80          3HB       LEU  80   0.836   3.527   8.641
  625    HG   LEU  80           HG       LEU  80   0.342   1.065   8.456
  626   1HD1  LEU  80          1HD1      LEU  80   1.993   1.434   6.051
  627   2HD1  LEU  80          2HD1      LEU  80   2.340   0.008   7.034
  628   3HD1  LEU  80          3HD1      LEU  80   0.714   0.266   6.395
  629   1HD2  LEU  80          1HD2      LEU  80   3.274   1.245   8.585
  630   2HD2  LEU  80          2HD2      LEU  80   2.396   2.381   9.611
  631   3HD2  LEU  80          3HD2      LEU  80   2.116   0.646   9.774
  632    H    VAL  81           HN       VAL  81  -1.494   1.099   6.122
  633    HA   VAL  81           HA       VAL  81  -3.326   0.938   8.429
  634    HB   VAL  81           HB       VAL  81  -3.713  -0.192   5.644
  635   1HG1  VAL  81          1HG1      VAL  81  -5.339  -0.472   8.153
  636   2HG1  VAL  81          2HG1      VAL  81  -6.064  -0.656   6.554
  637   3HG1  VAL  81          3HG1      VAL  81  -4.763  -1.736   7.063
  638   1HG2  VAL  81          1HG2      VAL  81  -4.226   2.044   5.400
  639   2HG2  VAL  81          2HG2      VAL  81  -5.795   1.361   5.835
  640   3HG2  VAL  81          3HG2      VAL  81  -4.826   2.195   7.050
  641    H    GLY  82           HN       GLY  82  -1.556  -1.038   6.053
  642   1HA   GLY  82          1HA       GLY  82   0.055  -2.623   7.419
  643   2HA   GLY  82          2HA       GLY  82  -1.489  -3.309   7.902
  644    H    GLY  83           HN       GLY  83   0.887  -4.181   6.050
  645   1HA   GLY  83          1HA       GLY  83  -0.382  -4.206   3.477
  646   2HA   GLY  83          2HA       GLY  83   1.197  -4.850   3.858
  647    H    CYS  84           HN       CYS  84   0.987  -7.012   5.256
  648    HA   CYS  84           HA       CYS  84  -0.360  -8.713   3.411
  649   1HB   CYS  84          2HB       CYS  84   0.631 -10.576   4.771
  650   2HB   CYS  84          3HB       CYS  84   1.790  -9.428   4.121
  651    HG   CYS  84           HG       CYS  84   1.230 -10.310   7.260
  652    H    ASP  85           HN       ASP  85  -0.498  -8.798   6.945
  653    HA   ASP  85           HA       ASP  85  -2.812 -10.444   6.965
  654   1HB   ASP  85          2HB       ASP  85  -1.580  -8.827   9.211
  655   2HB   ASP  85          3HB       ASP  85  -2.705 -10.167   9.401
  656    H    ILE  86           HN       ILE  86  -2.247  -7.076   7.729
  657    HA   ILE  86           HA       ILE  86  -4.758  -6.480   8.697
  658    HB   ILE  86           HB       ILE  86  -2.765  -4.646   7.365
  659   1HG1  ILE  86          2HG1      ILE  86  -2.330  -3.911   9.723
  660   2HG1  ILE  86          3HG1      ILE  86  -3.355  -5.223  10.276
  661   1HG2  ILE  86          1HG2      ILE  86  -3.985  -2.797   8.036
  662   2HG2  ILE  86          2HG2      ILE  86  -5.227  -3.902   7.448
  663   3HG2  ILE  86          3HG2      ILE  86  -4.953  -3.726   9.180
  664   1HD1  ILE  86          1HD1      ILE  86  -0.823  -5.546  10.319
  665   2HD1  ILE  86          2HD1      ILE  86  -1.816  -6.846   9.662
  666   3HD1  ILE  86          3HD1      ILE  86  -0.959  -5.755   8.573
  667    H    VAL  87           HN       VAL  87  -3.536  -6.099   5.360
  668    HA   VAL  87           HA       VAL  87  -5.817  -4.935   4.267
  669    HB   VAL  87           HB       VAL  87  -3.819  -6.789   2.961
  670   1HG1  VAL  87          1HG1      VAL  87  -4.870  -6.632   0.963
  671   2HG1  VAL  87          2HG1      VAL  87  -6.302  -6.392   1.966
  672   3HG1  VAL  87          3HG1      VAL  87  -5.458  -5.000   1.286
  673   1HG2  VAL  87          1HG2      VAL  87  -3.968  -4.014   2.111
  674   2HG2  VAL  87          2HG2      VAL  87  -3.579  -4.186   3.822
  675   3HG2  VAL  87          3HG2      VAL  87  -2.572  -4.971   2.607
  676    H    ILE  88           HN       ILE  88  -5.014  -8.417   4.530
  677    HA   ILE  88           HA       ILE  88  -7.394  -9.310   3.335
  678    HB   ILE  88           HB       ILE  88  -5.590 -10.701   5.308
  679   1HG1  ILE  88          2HG1      ILE  88  -4.590 -10.168   3.126
  680   2HG1  ILE  88          3HG1      ILE  88  -4.812 -11.907   3.317
  681   1HG2  ILE  88          1HG2      ILE  88  -6.750 -12.726   4.938
  682   2HG2  ILE  88          2HG2      ILE  88  -7.997 -11.525   5.285
  683   3HG2  ILE  88          3HG2      ILE  88  -7.698 -12.033   3.621
  684   1HD1  ILE  88          1HD1      ILE  88  -6.466 -10.015   1.672
  685   2HD1  ILE  88          2HD1      ILE  88  -5.444 -11.338   1.107
  686   3HD1  ILE  88          3HD1      ILE  88  -6.926 -11.686   1.999
  687    H    GLU  89           HN       GLU  89  -6.592  -8.949   6.821
  688    HA   GLU  89           HA       GLU  89  -9.098  -9.885   7.675
  689   1HB   GLU  89          2HB       GLU  89  -7.133  -9.665   9.166
  690   2HB   GLU  89          3HB       GLU  89  -7.331  -7.915   9.134
  691   1HG   GLU  89          2HG       GLU  89  -9.526  -8.123  10.151
  692   2HG   GLU  89          3HG       GLU  89  -9.380  -9.878  10.137
  693    H    MET  90           HN       MET  90  -7.974  -6.523   7.278
  694    HA   MET  90           HA       MET  90 -10.436  -5.296   7.858
  695   1HB   MET  90          2HB       MET  90  -7.996  -4.398   6.362
  696   2HB   MET  90          3HB       MET  90  -9.426  -3.378   6.413
  697   1HG   MET  90          2HG       MET  90  -7.809  -2.766   8.132
  698   2HG   MET  90          3HG       MET  90  -9.332  -3.305   8.829
  699   1HE   MET  90          1HE       MET  90  -7.221  -2.827  10.550
  700   2HE   MET  90          2HE       MET  90  -8.093  -4.045  11.482
  701   3HE   MET  90          3HE       MET  90  -6.352  -4.194  11.248
  702    H    TYR  91           HN       TYR  91  -9.208  -6.723   4.914
  703    HA   TYR  91           HA       TYR  91 -11.196  -5.839   3.112
  704   1HB   TYR  91          2HB       TYR  91  -9.406  -6.884   2.092
  705   2HB   TYR  91          3HB       TYR  91  -9.316  -8.149   3.306
  706    HD1  TYR  91           1HD      TYR  91 -11.633  -6.997   0.590
  707    HD2  TYR  91           2HD      TYR  91  -9.914 -10.237   2.710
  708    HE1  TYR  91           1HE      TYR  91 -12.751  -8.566  -0.929
  709    HE2  TYR  91           2HE      TYR  91 -11.005 -11.823   1.210
  710    HH   TYR  91           HH       TYR  91 -11.919 -11.568  -1.408
  711    H    GLN  92           HN       GLN  92 -10.966  -8.772   5.078
  712    HA   GLN  92           HA       GLN  92 -13.501  -9.805   4.414
  713   1HB   GLN  92          2HB       GLN  92 -11.885 -10.237   6.938
  714   2HB   GLN  92          3HB       GLN  92 -13.206 -11.252   6.374
  715   1HG   GLN  92          2HG       GLN  92 -11.929 -11.885   4.420
  716   2HG   GLN  92          3HG       GLN  92 -10.622 -10.804   4.897
  717   1HE2  GLN  92          1HE2      GLN  92 -11.446 -13.915   4.774
  718   2HE2  GLN  92          2HE2      GLN  92 -10.534 -14.528   6.113
  719    H    ARG  93           HN       ARG  93 -12.393  -7.748   7.062
  720    HA   ARG  93           HA       ARG  93 -14.792  -7.628   8.520
  721   1HB   ARG  93          2HB       ARG  93 -12.676  -5.483   8.281
  722   2HB   ARG  93          3HB       ARG  93 -13.862  -5.638   9.562
  723   1HG   ARG  93          2HG       ARG  93 -11.624  -7.547   8.967
  724   2HG   ARG  93          3HG       ARG  93 -11.693  -6.392  10.301
  725   1HD   ARG  93          2HD       ARG  93 -13.542  -8.739   9.879
  726   2HD   ARG  93          3HD       ARG  93 -12.246  -8.638  11.066
  727    HE   ARG  93           HE       ARG  93 -14.874  -7.701  11.392
  728   1HH1  ARG  93          2HH1      ARG  93 -11.567  -6.729  12.068
  729   2HH1  ARG  93          1HH1      ARG  93 -12.007  -5.674  13.373
  730   1HH2  ARG  93          2HH2      ARG  93 -15.448  -6.354  13.151
  731   2HH2  ARG  93          1HH2      ARG  93 -14.209  -5.478  14.010
  732    H    GLY  94           HN       GLY  94 -13.629  -5.796   5.755
  733   1HA   GLY  94          1HA       GLY  94 -15.190  -4.696   4.255
  734   2HA   GLY  94          2HA       GLY  94 -16.241  -4.425   5.640
  735    H    GLU  95           HN       GLU  95 -13.812  -3.725   7.259
  736    HA   GLU  95           HA       GLU  95 -14.053  -0.980   7.192
  737   1HB   GLU  95          2HB       GLU  95 -11.678  -2.563   8.176
  738   2HB   GLU  95          3HB       GLU  95 -12.072  -0.910   8.624
  739   1HG   GLU  95          2HG       GLU  95 -14.158  -1.709   9.653
  740   2HG   GLU  95          3HG       GLU  95 -13.702  -3.363   9.244
  741    H    LEU  96           HN       LEU  96 -11.801  -2.984   5.400
  742    HA   LEU  96           HA       LEU  96  -9.964  -0.925   4.762
  743   1HB   LEU  96          2HB       LEU  96  -9.546  -3.415   4.696
  744   2HB   LEU  96          3HB       LEU  96 -10.450  -3.460   3.199
  745    HG   LEU  96           HG       LEU  96  -7.903  -1.872   3.587
  746   1HD1  LEU  96          1HD1      LEU  96  -7.616  -4.061   1.807
  747   2HD1  LEU  96          2HD1      LEU  96  -6.767  -3.744   3.319
  748   3HD1  LEU  96          3HD1      LEU  96  -8.272  -4.660   3.331
  749   1HD2  LEU  96          1HD2      LEU  96  -8.210  -1.066   1.538
  750   2HD2  LEU  96          2HD2      LEU  96  -8.510  -2.681   0.895
  751   3HD2  LEU  96          3HD2      LEU  96  -9.840  -1.738   1.569
  752    H    GLN  97           HN       GLN  97 -12.539  -2.445   2.945
  753    HA   GLN  97           HA       GLN  97 -12.440  -0.724   0.704
  754   1HB   GLN  97          2HB       GLN  97 -14.832  -1.518   0.345
  755   2HB   GLN  97          3HB       GLN  97 -13.567  -2.729   0.317
  756   1HG   GLN  97          2HG       GLN  97 -14.141  -3.265   2.681
  757   2HG   GLN  97          3HG       GLN  97 -15.504  -2.158   2.541
  758   1HE2  GLN  97          1HE2      GLN  97 -14.675  -5.311   2.439
  759   2HE2  GLN  97          2HE2      GLN  97 -15.945  -5.922   1.441
  760    H    GLN  98           HN       GLN  98 -13.699  -0.383   3.854
  761    HA   GLN  98           HA       GLN  98 -15.449   1.829   3.357
  762   1HB   GLN  98          2HB       GLN  98 -14.123   0.753   5.843
  763   2HB   GLN  98          3HB       GLN  98 -15.146   2.171   5.866
  764   1HG   GLN  98          2HG       GLN  98 -16.022  -0.547   4.927
  765   2HG   GLN  98          3HG       GLN  98 -16.283   0.084   6.550
  766   1HE2  GLN  98          1HE2      GLN  98 -16.555   2.755   4.797
  767   2HE2  GLN  98          2HE2      GLN  98 -18.247   2.734   4.440
  768    H    LEU  99           HN       LEU  99 -12.136   1.446   4.539
  769    HA   LEU  99           HA       LEU  99 -11.555   4.194   4.825
  770   1HB   LEU  99          2HB       LEU  99  -9.611   1.977   4.173
  771   2HB   LEU  99          3HB       LEU  99  -9.231   3.512   4.926
  772    HG   LEU  99           HG       LEU  99 -10.840   1.264   6.139
  773   1HD1  LEU  99          1HD1      LEU  99  -8.174   1.358   5.911
  774   2HD1  LEU  99          2HD1      LEU  99  -8.367   2.302   7.388
  775   3HD1  LEU  99          3HD1      LEU  99  -8.998   0.657   7.303
  776   1HD2  LEU  99          1HD2      LEU  99 -11.220   2.570   8.026
  777   2HD2  LEU  99          2HD2      LEU  99  -9.965   3.734   7.603
  778   3HD2  LEU  99          3HD2      LEU  99 -11.483   3.710   6.705
  779    H    ILE 100           HN       ILE 100 -10.995   1.890   2.197
  780    HA   ILE 100           HA       ILE 100  -9.713   3.729   0.469
  781    HB   ILE 100           HB       ILE 100 -11.282   1.259  -0.303
  782   1HG1  ILE 100          2HG1      ILE 100  -9.459   0.735   1.251
  783   2HG1  ILE 100          3HG1      ILE 100  -9.101   0.132  -0.363
  784   1HG2  ILE 100          1HG2      ILE 100 -10.821   1.742  -2.424
  785   2HG2  ILE 100          2HG2      ILE 100 -10.149   3.289  -1.903
  786   3HG2  ILE 100          3HG2      ILE 100  -9.103   1.874  -2.050
  787   1HD1  ILE 100          1HD1      ILE 100  -7.115   1.067   0.584
  788   2HD1  ILE 100          2HD1      ILE 100  -7.660   2.117  -0.726
  789   3HD1  ILE 100          3HD1      ILE 100  -7.946   2.579   0.953
  790    H    LYS 101           HN       LYS 101 -13.089   2.701   0.814
  791    HA   LYS 101           HA       LYS 101 -14.310   3.965  -1.282
  792   1HB   LYS 101          2HB       LYS 101 -15.486   2.549   0.328
  793   2HB   LYS 101          3HB       LYS 101 -15.270   3.768   1.579
  794   1HG   LYS 101          2HG       LYS 101 -16.574   5.324   0.142
  795   2HG   LYS 101          3HG       LYS 101 -16.934   3.960  -0.896
  796   1HD   LYS 101          2HD       LYS 101 -17.664   4.247   2.015
  797   2HD   LYS 101          3HD       LYS 101 -18.771   4.322   0.645
  798   1HE   LYS 101          2HE       LYS 101 -18.246   1.992   0.107
  799   2HE   LYS 101          3HE       LYS 101 -17.151   1.923   1.488
  800   1HZ   LYS 101          1HZ       LYS 101 -19.343   2.737   2.710
  801   2HZ   LYS 101          2HZ       LYS 101 -19.010   1.091   2.458
  802   3HZ   LYS 101          3HZ       LYS 101 -20.074   1.907   1.420
  803    H    GLU 102           HN       GLU 102 -13.689   5.300   1.914
  804    HA   GLU 102           HA       GLU 102 -14.696   7.868   1.432
  805   1HB   GLU 102          2HB       GLU 102 -14.264   6.864   3.651
  806   2HB   GLU 102          3HB       GLU 102 -12.541   7.005   3.363
  807   1HG   GLU 102          2HG       GLU 102 -14.421   9.349   3.473
  808   2HG   GLU 102          3HG       GLU 102 -13.531   8.731   4.853
  809    H    THR 103           HN       THR 103 -11.368   6.657   1.363
  810    HA   THR 103           HA       THR 103 -10.237   9.139   0.675
  811    HB   THR 103           HB       THR 103  -9.104   6.358   0.488
  812    HG1  THR 103           1HG      THR 103  -9.793   7.820   2.556
  813   1HG2  THR 103          1HG2      THR 103  -7.635   8.980   0.557
  814   2HG2  THR 103          2HG2      THR 103  -7.912   8.038  -0.909
  815   3HG2  THR 103          3HG2      THR 103  -6.938   7.368   0.403
  816    H    ALA 104           HN       ALA 104 -10.833   6.251  -1.334
  817    HA   ALA 104           HA       ALA 104  -9.718   7.319  -3.683
  818   1HB   ALA 104          1HB       ALA 104 -10.090   4.985  -3.523
  819   2HB   ALA 104          2HB       ALA 104 -11.816   5.214  -3.243
  820   3HB   ALA 104          3HB       ALA 104 -11.122   5.589  -4.821
  821    H    ALA 105           HN       ALA 105 -13.061   7.294  -2.479
  822    HA   ALA 105           HA       ALA 105 -14.227   8.664  -4.646
  823   1HB   ALA 105          1HB       ALA 105 -15.395   7.386  -2.767
  824   2HB   ALA 105          2HB       ALA 105 -15.250   8.877  -1.833
  825   3HB   ALA 105          3HB       ALA 105 -16.153   8.871  -3.349
  826    H    LYS 106           HN       LYS 106 -12.516   9.872  -1.787
  827    HA   LYS 106           HA       LYS 106 -13.352  12.550  -2.416
  828   1HB   LYS 106          2HB       LYS 106 -11.998  13.335  -0.567
  829   2HB   LYS 106          3HB       LYS 106 -13.045  12.021  -0.073
  830   1HG   LYS 106          2HG       LYS 106 -11.045  11.613   1.014
  831   2HG   LYS 106          3HG       LYS 106 -11.031  10.519  -0.363
  832   1HD   LYS 106          2HD       LYS 106  -8.847  11.491  -0.086
  833   2HD   LYS 106          3HD       LYS 106  -9.567  12.100  -1.571
  834   1HE   LYS 106          2HE       LYS 106  -9.562  13.586   1.054
  835   2HE   LYS 106          3HE       LYS 106  -8.356  13.812  -0.207
  836   1HZ   LYS 106          1HZ       LYS 106 -10.384  14.319  -1.683
  837   2HZ   LYS 106          2HZ       LYS 106  -9.855  15.502  -0.592
  838   3HZ   LYS 106          3HZ       LYS 106 -11.210  14.561  -0.221
  839    H    TYR 107           HN       TYR 107 -10.885  10.459  -3.518
  840    HA   TYR 107           HA       TYR 107  -9.299  12.738  -4.443
  841   1HB   TYR 107          2HB       TYR 107  -8.779   9.782  -4.502
  842   2HB   TYR 107          3HB       TYR 107  -7.878  10.871  -5.549
  843    HD1  TYR 107           1HD      TYR 107  -6.413  12.574  -4.568
  844    HD2  TYR 107           2HD      TYR 107  -8.259   9.612  -2.120
  845    HE1  TYR 107           1HE      TYR 107  -4.792  13.032  -2.785
  846    HE2  TYR 107           2HE      TYR 107  -6.672  10.083  -0.347
  847    HH   TYR 107           HH       TYR 107  -5.164  11.747   0.409
  848    H    LYS 108           HN       LYS 108 -11.075   9.980  -5.875
  849    HA   LYS 108           HA       LYS 108 -11.500  11.691  -8.233
  850   1HB   LYS 108          2HB       LYS 108 -11.672   8.696  -8.004
  851   2HB   LYS 108          3HB       LYS 108 -12.487   9.572  -9.287
  852   1HG   LYS 108          2HG       LYS 108 -10.400   8.680 -10.087
  853   2HG   LYS 108          3HG       LYS 108 -10.323  10.438 -10.057
  854   1HD   LYS 108          2HD       LYS 108  -8.250   9.379  -9.257
  855   2HD   LYS 108          3HD       LYS 108  -9.019  10.373  -8.017
  856   1HE   LYS 108          2HE       LYS 108  -9.943   8.431  -6.959
  857   2HE   LYS 108          3HE       LYS 108  -9.339   7.390  -8.251
  858   1HZ   LYS 108          1HZ       LYS 108  -7.397   9.034  -6.817
  859   2HZ   LYS 108          2HZ       LYS 108  -7.231   7.472  -7.466
  860   3HZ   LYS 108          3HZ       LYS 108  -8.049   7.699  -6.001
  861    H    SER 109           HN       SER 109 -13.394  12.671  -8.223
  862    HA   SER 109           HA       SER 109 -14.961  12.793  -6.094
  863   1HB   SER 109          2HB       SER 109 -16.769  13.737  -7.568
  864   2HB   SER 109          3HB       SER 109 -15.167  14.442  -7.760
  865    HG   SER 109           HG       SER 109 -15.312  12.413  -9.444
  866    H    GLU 110           HN       GLU 110 -15.984  11.463  -5.002
  867    HA   GLU 110           HA       GLU 110 -17.319   9.784  -4.269
  868   1HB   GLU 110          2HB       GLU 110 -18.942  10.908  -6.546
  869   2HB   GLU 110          3HB       GLU 110 -19.585   9.848  -5.299
  870   1HG   GLU 110          2HG       GLU 110 -19.046  11.487  -3.595
  871   2HG   GLU 110          3HG       GLU 110 -18.338  12.544  -4.818
  872    H    GLU 111           HN       GLU 111 -15.358   8.555  -5.836
  873    HA   GLU 111           HA       GLU 111 -16.671   6.808  -7.711
  874   1HB   GLU 111          2HB       GLU 111 -14.570   5.785  -8.094
  875   2HB   GLU 111          3HB       GLU 111 -14.225   7.490  -7.822
  876   1HG   GLU 111          2HG       GLU 111 -13.406   7.043  -5.633
  877   2HG   GLU 111          3HG       GLU 111 -13.884   5.346  -5.755
  878    HA   PRO 112           HA       PRO 112 -18.148   4.088  -4.543
  879   1HB   PRO 112          2HB       PRO 112 -18.995   2.237  -6.601
  880   2HB   PRO 112          3HB       PRO 112 -19.987   3.315  -5.619
  881   1HG   PRO 112          2HG       PRO 112 -19.622   3.638  -8.304
  882   2HG   PRO 112          3HG       PRO 112 -19.968   4.977  -7.195
  883   1HD   PRO 112          2HD       PRO 112 -17.343   4.095  -8.342
  884   2HD   PRO 112          3HD       PRO 112 -17.976   5.741  -8.123
  885    H    ASP 113           HN       ASP 113 -16.873   2.768  -3.383
  886    HA   ASP 113           HA       ASP 113 -15.020   1.008  -4.831
  887   1HB   ASP 113          2HB       ASP 113 -14.906   2.140  -2.037
  888   2HB   ASP 113          3HB       ASP 113 -13.736   0.996  -2.689
  889    H    ALA 114           HN       ALA 114 -16.645   0.979  -1.677
  890    HA   ALA 114           HA       ALA 114 -16.600  -1.893  -1.621
  891   1HB   ALA 114          1HB       ALA 114 -17.311   0.262   0.275
  892   2HB   ALA 114          2HB       ALA 114 -18.183  -1.257   0.469
  893   3HB   ALA 114          3HB       ALA 114 -16.418  -1.237   0.549
  894    H    GLU 115           HN       GLU 115 -18.868   0.691  -2.183
  895    HA   GLU 115           HA       GLU 115 -20.424  -0.934  -3.869
  896   1HB   GLU 115          2HB       GLU 115 -22.477  -0.917  -2.767
  897   2HB   GLU 115          3HB       GLU 115 -21.359  -1.450  -1.544
  898   1HG   GLU 115          2HG       GLU 115 -22.368   1.372  -1.799
  899   2HG   GLU 115          3HG       GLU 115 -23.112   0.153  -0.776
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  19.522  13.971  10.142
    2   2H    MET   1          2H        MET   1  18.256  13.124  10.892
    3   3H    MET   1          3H        MET   1  17.912  14.360   9.791
    4    HA   MET   1           HA       MET   1  19.453  12.752   8.305
    5   1HB   MET   1          2HB       MET   1  19.454  11.104  10.146
    6   2HB   MET   1          3HB       MET   1  17.698  11.040  10.084
    7   1HG   MET   1          2HG       MET   1  18.690   9.133   8.961
    8   2HG   MET   1          3HG       MET   1  17.797  10.145   7.827
    9   1HE   MET   1          1HE       MET   1  21.028   9.665   9.559
   10   2HE   MET   1          2HE       MET   1  22.190   9.361   8.267
   11   3HE   MET   1          3HE       MET   1  21.898  11.011   8.820
   12    H    SER   2           HN       SER   2  18.418  12.461   6.370
   13    HA   SER   2           HA       SER   2  15.540  12.587   6.130
   14   1HB   SER   2          2HB       SER   2  15.599  14.771   4.899
   15   2HB   SER   2          3HB       SER   2  15.993  14.918   6.612
   16    HG   SER   2           HG       SER   2  17.772  14.949   4.393
   17    H    THR   3           HN       THR   3  17.047  10.598   5.200
   18    HA   THR   3           HA       THR   3  18.215  11.021   2.670
   19    HB   THR   3           HB       THR   3  18.253   8.540   2.510
   20    HG1  THR   3           1HG      THR   3  17.003   7.384   3.757
   21   1HG2  THR   3          1HG2      THR   3  19.184   8.782   5.229
   22   2HG2  THR   3          2HG2      THR   3  19.615  10.209   4.286
   23   3HG2  THR   3          3HG2      THR   3  20.111   8.608   3.738
   24    H    THR   4           HN       THR   4  16.830   8.390   1.767
   25    HA   THR   4           HA       THR   4  15.383   9.500  -0.315
   26    HB   THR   4           HB       THR   4  15.106   6.676   0.734
   27    HG1  THR   4           1HG      THR   4  17.088   6.394   0.069
   28   1HG2  THR   4          1HG2      THR   4  13.466   7.369  -1.003
   29   2HG2  THR   4          2HG2      THR   4  14.561   6.099  -1.551
   30   3HG2  THR   4          3HG2      THR   4  14.817   7.766  -2.069
   31    H    ILE   5           HN       ILE   5  14.290   8.439   2.837
   32    HA   ILE   5           HA       ILE   5  11.607   8.048   2.431
   33    HB   ILE   5           HB       ILE   5  13.074   9.149   4.809
   34   1HG1  ILE   5          2HG1      ILE   5  11.550   6.584   4.441
   35   2HG1  ILE   5          3HG1      ILE   5  13.266   6.727   4.049
   36   1HG2  ILE   5          1HG2      ILE   5  10.214   8.279   4.935
   37   2HG2  ILE   5          2HG2      ILE   5  11.145   9.217   6.105
   38   3HG2  ILE   5          3HG2      ILE   5  10.629   9.958   4.587
   39   1HD1  ILE   5          1HD1      ILE   5  12.515   7.631   6.739
   40   2HD1  ILE   5          2HD1      ILE   5  12.286   5.909   6.431
   41   3HD1  ILE   5          3HD1      ILE   5  13.876   6.641   6.211
   42    H    GLU   6           HN       GLU   6  13.235  11.177   2.798
   43    HA   GLU   6           HA       GLU   6  10.941  12.759   3.095
   44   1HB   GLU   6          2HB       GLU   6  13.485  13.536   1.666
   45   2HB   GLU   6          3HB       GLU   6  12.333  14.620   2.435
   46   1HG   GLU   6          2HG       GLU   6  14.056  12.582   3.827
   47   2HG   GLU   6          3HG       GLU   6  14.331  14.322   3.788
   48    H    LYS   7           HN       LYS   7  12.661  11.667   0.235
   49    HA   LYS   7           HA       LYS   7  10.984  12.840  -1.743
   50   1HB   LYS   7          2HB       LYS   7  12.650  10.312  -1.853
   51   2HB   LYS   7          3HB       LYS   7  11.990  11.163  -3.240
   52   1HG   LYS   7          2HG       LYS   7  13.431  13.022  -2.881
   53   2HG   LYS   7          3HG       LYS   7  13.969  12.373  -1.329
   54   1HD   LYS   7          2HD       LYS   7  15.630  11.998  -3.103
   55   2HD   LYS   7          3HD       LYS   7  15.007  10.480  -2.457
   56   1HE   LYS   7          2HE       LYS   7  13.470  10.325  -4.371
   57   2HE   LYS   7          3HE       LYS   7  14.150  11.815  -5.023
   58   1HZ   LYS   7          1HZ       LYS   7  15.082   9.194  -5.357
   59   2HZ   LYS   7          2HZ       LYS   7  16.259  10.045  -4.482
   60   3HZ   LYS   7          3HZ       LYS   7  15.732  10.626  -5.986
   61    H    ILE   8           HN       ILE   8  11.120   9.719  -0.133
   62    HA   ILE   8           HA       ILE   8   9.108   8.401  -1.515
   63    HB   ILE   8           HB       ILE   8  10.176   8.022   1.269
   64   1HG1  ILE   8          2HG1      ILE   8  10.624   6.517  -1.316
   65   2HG1  ILE   8          3HG1      ILE   8  11.738   7.680  -0.605
   66   1HG2  ILE   8          1HG2      ILE   8   9.015   5.637   0.330
   67   2HG2  ILE   8          2HG2      ILE   8   8.545   6.614   1.724
   68   3HG2  ILE   8          3HG2      ILE   8   7.810   6.913   0.147
   69   1HD1  ILE   8          1HD1      ILE   8  11.534   4.895  -0.139
   70   2HD1  ILE   8          2HD1      ILE   8  12.685   6.048   0.535
   71   3HD1  ILE   8          3HD1      ILE   8  11.160   5.738   1.364
   72    H    GLN   9           HN       GLN   9   8.865  10.307   1.486
   73    HA   GLN   9           HA       GLN   9   6.168   9.680   1.939
   74   1HB   GLN   9          2HB       GLN   9   7.878  11.964   2.879
   75   2HB   GLN   9          3HB       GLN   9   6.183  11.830   3.333
   76   1HG   GLN   9          2HG       GLN   9   6.645   9.645   4.341
   77   2HG   GLN   9          3HG       GLN   9   8.346   9.813   3.905
   78   1HE2  GLN   9          1HE2      GLN   9   9.510  10.296   5.619
   79   2HE2  GLN   9          2HE2      GLN   9   9.061  11.402   6.877
   80    H    ARG  10           HN       ARG  10   7.666  12.227   0.066
   81    HA   ARG  10           HA       ARG  10   5.285  13.608  -0.650
   82   1HB   ARG  10          2HB       ARG  10   7.852  13.231  -2.208
   83   2HB   ARG  10          3HB       ARG  10   6.591  14.384  -2.604
   84   1HG   ARG  10          2HG       ARG  10   8.234  14.419  -0.077
   85   2HG   ARG  10          3HG       ARG  10   8.530  15.403  -1.498
   86   1HD   ARG  10          2HD       ARG  10   7.394  16.784   0.025
   87   2HD   ARG  10          3HD       ARG  10   6.227  16.343  -1.217
   88    HE   ARG  10           HE       ARG  10   4.972  15.383   0.388
   89   1HH1  ARG  10          2HH1      ARG  10   8.235  15.663   1.617
   90   2HH1  ARG  10          1HH1      ARG  10   7.846  14.996   3.179
   91   1HH2  ARG  10          2HH2      ARG  10   4.440  14.525   2.456
   92   2HH2  ARG  10          1HH2      ARG  10   5.698  14.357   3.649
   93    H    GLN  11           HN       GLN  11   6.944  10.758  -1.823
   94    HA   GLN  11           HA       GLN  11   5.449  10.370  -4.199
   95   1HB   GLN  11          2HB       GLN  11   7.617   9.361  -3.959
   96   2HB   GLN  11          3HB       GLN  11   7.107   8.482  -2.526
   97   1HG   GLN  11          2HG       GLN  11   5.595   7.136  -3.866
   98   2HG   GLN  11          3HG       GLN  11   6.043   8.044  -5.309
   99   1HE2  GLN  11          1HE2      GLN  11   6.584   5.267  -3.631
  100   2HE2  GLN  11          2HE2      GLN  11   8.138   4.856  -4.268
  101    H    ILE  12           HN       ILE  12   5.149   8.977  -0.950
  102    HA   ILE  12           HA       ILE  12   3.015   7.240  -1.649
  103    HB   ILE  12           HB       ILE  12   3.753   8.287   1.094
  104   1HG1  ILE  12          2HG1      ILE  12   4.672   5.829  -0.413
  105   2HG1  ILE  12          3HG1      ILE  12   5.665   7.200   0.081
  106   1HG2  ILE  12          1HG2      ILE  12   1.754   7.323   1.543
  107   2HG2  ILE  12          2HG2      ILE  12   1.811   6.285   0.116
  108   3HG2  ILE  12          3HG2      ILE  12   2.738   5.858   1.555
  109   1HD1  ILE  12          1HD1      ILE  12   6.035   6.316   2.067
  110   2HD1  ILE  12          2HD1      ILE  12   4.318   6.011   2.332
  111   3HD1  ILE  12          3HD1      ILE  12   5.298   4.834   1.457
  112    H    ALA  13           HN       ALA  13   3.166  10.378  -0.110
  113    HA   ALA  13           HA       ALA  13   0.499  10.678   0.577
  114   1HB   ALA  13          1HB       ALA  13   1.941  12.215   1.536
  115   2HB   ALA  13          2HB       ALA  13   2.681  12.638  -0.009
  116   3HB   ALA  13          3HB       ALA  13   1.047  13.188   0.369
  117    H    GLU  14           HN       GLU  14   2.098  11.396  -2.496
  118    HA   GLU  14           HA       GLU  14  -0.082  12.820  -3.566
  119   1HB   GLU  14          2HB       GLU  14   1.004  12.589  -5.752
  120   2HB   GLU  14          3HB       GLU  14   2.105  13.140  -4.500
  121   1HG   GLU  14          2HG       GLU  14   3.040  10.925  -4.320
  122   2HG   GLU  14          3HG       GLU  14   1.911  10.326  -5.533
  123    H    ASN  15           HN       ASN  15   0.681   9.388  -3.566
  124    HA   ASN  15           HA       ASN  15  -1.351   8.767  -5.511
  125   1HB   ASN  15          2HB       ASN  15   0.230   6.988  -3.656
  126   2HB   ASN  15          3HB       ASN  15  -0.926   6.392  -4.839
  127   1HD2  ASN  15          1HD2      ASN  15   2.215   6.732  -4.327
  128   2HD2  ASN  15          2HD2      ASN  15   2.776   6.930  -5.949
  129    HA   PRO  16           HA       PRO  16  -4.848   9.056  -2.851
  130   1HB   PRO  16          2HB       PRO  16  -6.002   7.184  -4.851
  131   2HB   PRO  16          3HB       PRO  16  -6.604   8.757  -4.314
  132   1HG   PRO  16          2HG       PRO  16  -5.490   8.487  -6.707
  133   2HG   PRO  16          3HG       PRO  16  -5.154   9.921  -5.715
  134   1HD   PRO  16          2HD       PRO  16  -3.457   7.497  -6.180
  135   2HD   PRO  16          3HD       PRO  16  -2.983   9.206  -6.104
  136    H    ILE  17           HN       ILE  17  -4.027   5.942  -4.265
  137    HA   ILE  17           HA       ILE  17  -4.467   4.633  -1.670
  138    HB   ILE  17           HB       ILE  17  -5.428   3.466  -4.301
  139   1HG1  ILE  17          2HG1      ILE  17  -6.851   5.393  -3.732
  140   2HG1  ILE  17          3HG1      ILE  17  -7.726   3.876  -3.593
  141   1HG2  ILE  17          1HG2      ILE  17  -6.552   1.816  -2.913
  142   2HG2  ILE  17          2HG2      ILE  17  -4.812   1.833  -2.612
  143   3HG2  ILE  17          3HG2      ILE  17  -5.912   2.594  -1.462
  144   1HD1  ILE  17          1HD1      ILE  17  -6.626   4.478  -1.050
  145   2HD1  ILE  17          2HD1      ILE  17  -7.410   5.938  -1.670
  146   3HD1  ILE  17          3HD1      ILE  17  -8.321   4.429  -1.536
  147    H    LEU  18           HN       LEU  18  -2.607   3.537  -1.241
  148    HA   LEU  18           HA       LEU  18  -0.958   2.792  -3.559
  149   1HB   LEU  18          2HB       LEU  18  -0.354   4.971  -2.483
  150   2HB   LEU  18          3HB       LEU  18   0.049   4.078  -1.033
  151    HG   LEU  18           HG       LEU  18   1.803   2.869  -2.264
  152   1HD1  LEU  18          1HD1      LEU  18   1.494   4.737  -4.561
  153   2HD1  LEU  18          2HD1      LEU  18   2.241   3.142  -4.492
  154   3HD1  LEU  18          3HD1      LEU  18   0.485   3.292  -4.490
  155   1HD2  LEU  18          1HD2      LEU  18   2.391   4.912  -1.082
  156   2HD2  LEU  18          2HD2      LEU  18   3.311   4.806  -2.584
  157   3HD2  LEU  18          3HD2      LEU  18   1.919   5.885  -2.475
  158    H    LEU  19           HN       LEU  19   0.274   1.014  -3.413
  159    HA   LEU  19           HA       LEU  19   0.139  -0.597  -0.957
  160   1HB   LEU  19          2HB       LEU  19  -1.567  -1.520  -2.259
  161   2HB   LEU  19          3HB       LEU  19  -0.702  -1.251  -3.757
  162    HG   LEU  19           HG       LEU  19   0.831  -3.079  -3.221
  163   1HD1  LEU  19          1HD1      LEU  19  -0.280  -2.799  -0.601
  164   2HD1  LEU  19          2HD1      LEU  19  -0.625  -4.428  -1.185
  165   3HD1  LEU  19          3HD1      LEU  19   1.040  -3.846  -1.131
  166   1HD2  LEU  19          1HD2      LEU  19  -2.107  -3.736  -3.133
  167   2HD2  LEU  19          2HD2      LEU  19  -1.074  -3.588  -4.557
  168   3HD2  LEU  19          3HD2      LEU  19  -0.830  -4.919  -3.425
  169    H    TYR  20           HN       TYR  20   2.177  -1.053  -0.343
  170    HA   TYR  20           HA       TYR  20   4.224  -1.266  -2.435
  171   1HB   TYR  20          2HB       TYR  20   4.377  -0.864   0.534
  172   2HB   TYR  20          3HB       TYR  20   5.776  -1.422  -0.380
  173    HD1  TYR  20           1HD      TYR  20   3.186   1.277  -0.749
  174    HD2  TYR  20           2HD      TYR  20   7.298   0.191  -0.886
  175    HE1  TYR  20           1HE      TYR  20   3.778   3.583  -1.334
  176    HE2  TYR  20           2HE      TYR  20   7.902   2.498  -1.473
  177    HH   TYR  20           HH       TYR  20   6.444   4.955  -0.962
  178    H    MET  21           HN       MET  21   4.677  -3.189  -3.171
  179    HA   MET  21           HA       MET  21   4.967  -5.390  -1.337
  180   1HB   MET  21          2HB       MET  21   3.575  -6.816  -3.025
  181   2HB   MET  21          3HB       MET  21   2.821  -5.964  -1.697
  182   1HG   MET  21          2HG       MET  21   1.422  -5.598  -3.507
  183   2HG   MET  21          3HG       MET  21   2.344  -4.112  -3.368
  184   1HE   MET  21          1HE       MET  21   5.167  -4.761  -5.240
  185   2HE   MET  21          2HE       MET  21   4.354  -3.876  -6.530
  186   3HE   MET  21          3HE       MET  21   4.149  -3.373  -4.853
  187    H    LYS  22           HN       LYS  22   5.142  -7.474  -3.387
  188    HA   LYS  22           HA       LYS  22   7.688  -6.556  -4.520
  189   1HB   LYS  22          2HB       LYS  22   7.857  -8.561  -3.129
  190   2HB   LYS  22          3HB       LYS  22   6.695  -9.388  -4.161
  191   1HG   LYS  22          2HG       LYS  22   8.193  -9.535  -5.941
  192   2HG   LYS  22          3HG       LYS  22   9.238  -8.276  -5.288
  193   1HD   LYS  22          2HD       LYS  22  10.247 -10.497  -5.071
  194   2HD   LYS  22          3HD       LYS  22   9.947  -9.762  -3.499
  195   1HE   LYS  22          2HE       LYS  22   7.925 -11.118  -3.259
  196   2HE   LYS  22          3HE       LYS  22   8.231 -11.851  -4.834
  197   1HZ   LYS  22          1HZ       LYS  22  10.222 -11.981  -2.650
  198   2HZ   LYS  22          2HZ       LYS  22  10.118 -12.944  -4.041
  199   3HZ   LYS  22          3HZ       LYS  22   8.982 -13.133  -2.792
  200    H    GLY  23           HN       GLY  23   7.752  -5.974  -6.490
  201   1HA   GLY  23          1HA       GLY  23   5.564  -6.682  -8.289
  202   2HA   GLY  23          2HA       GLY  23   6.733  -5.392  -8.527
  203    H    SER  24           HN       SER  24   6.521  -8.945  -8.399
  204    HA   SER  24           HA       SER  24   8.899  -9.228 -10.006
  205   1HB   SER  24          2HB       SER  24   6.812 -11.267  -9.185
  206   2HB   SER  24          3HB       SER  24   8.369 -11.636  -9.931
  207    HG   SER  24           HG       SER  24   9.368 -10.632  -8.099
  208    HA   PRO  25           HA       PRO  25   7.074  -8.658 -13.992
  209   1HB   PRO  25          2HB       PRO  25   8.741 -10.998 -14.797
  210   2HB   PRO  25          3HB       PRO  25   8.620  -9.397 -15.536
  211   1HG   PRO  25          2HG       PRO  25  10.733 -10.040 -14.061
  212   2HG   PRO  25          3HG       PRO  25  10.019  -8.420 -13.961
  213   1HD   PRO  25          2HD       PRO  25   9.817 -10.705 -12.050
  214   2HD   PRO  25          3HD       PRO  25   9.907  -8.962 -11.723
  215    H    LYS  26           HN       LYS  26   7.448 -12.015 -12.881
  216    HA   LYS  26           HA       LYS  26   5.339 -13.052 -14.486
  217   1HB   LYS  26          2HB       LYS  26   5.525 -15.073 -13.072
  218   2HB   LYS  26          3HB       LYS  26   7.063 -14.546 -13.734
  219   1HG   LYS  26          2HG       LYS  26   7.700 -13.602 -11.602
  220   2HG   LYS  26          3HG       LYS  26   6.123 -14.016 -10.922
  221   1HD   LYS  26          2HD       LYS  26   6.574 -16.379 -11.246
  222   2HD   LYS  26          3HD       LYS  26   8.109 -16.000 -12.027
  223   1HE   LYS  26          2HE       LYS  26   7.408 -15.307  -9.179
  224   2HE   LYS  26          3HE       LYS  26   8.349 -16.716  -9.670
  225   1HZ   LYS  26          1HZ       LYS  26   9.217 -14.058 -10.566
  226   2HZ   LYS  26          2HZ       LYS  26  10.135 -15.441 -10.250
  227   3HZ   LYS  26          3HZ       LYS  26   9.527 -14.519  -8.961
  228    H    LEU  27           HN       LEU  27   5.459 -11.601 -11.320
  229    HA   LEU  27           HA       LEU  27   2.557 -11.524 -11.174
  230   1HB   LEU  27          2HB       LEU  27   3.536 -13.729 -10.137
  231   2HB   LEU  27          3HB       LEU  27   4.095 -12.665  -8.857
  232    HG   LEU  27           HG       LEU  27   1.207 -13.113  -9.642
  233   1HD1  LEU  27          1HD1      LEU  27   2.529 -13.927  -7.077
  234   2HD1  LEU  27          2HD1      LEU  27   0.984 -14.455  -7.747
  235   3HD1  LEU  27          3HD1      LEU  27   2.493 -14.987  -8.487
  236   1HD2  LEU  27          1HD2      LEU  27   0.791 -11.936  -7.440
  237   2HD2  LEU  27          2HD2      LEU  27   2.465 -11.388  -7.526
  238   3HD2  LEU  27          3HD2      LEU  27   1.319 -10.923  -8.783
  239    HA   PRO  28           HA       PRO  28   4.561  -7.738  -9.737
  240   1HB   PRO  28          2HB       PRO  28   1.904  -6.543 -10.024
  241   2HB   PRO  28          3HB       PRO  28   3.406  -6.147 -10.862
  242   1HG   PRO  28          2HG       PRO  28   1.352  -7.362 -12.108
  243   2HG   PRO  28          3HG       PRO  28   3.043  -7.702 -12.523
  244   1HD   PRO  28          2HD       PRO  28   1.148  -9.295 -10.837
  245   2HD   PRO  28          3HD       PRO  28   2.317  -9.849 -12.050
  246    H    SER  29           HN       SER  29   3.217  -9.683  -7.847
  247    HA   SER  29           HA       SER  29   3.357  -8.001  -5.622
  248   1HB   SER  29          2HB       SER  29   1.030  -8.519  -4.763
  249   2HB   SER  29          3HB       SER  29   1.188  -7.268  -5.986
  250    HG   SER  29           HG       SER  29   0.142  -9.878  -6.192
  251    H    CYS  30           HN       CYS  30   4.848 -10.073  -6.118
  252    HA   CYS  30           HA       CYS  30   3.858 -12.548  -5.082
  253   1HB   CYS  30          2HB       CYS  30   5.737 -12.358  -6.694
  254   2HB   CYS  30          3HB       CYS  30   6.708 -11.584  -5.454
  255    HG   CYS  30           HG       CYS  30   5.513 -14.629  -4.644
  256    H    GLY  31           HN       GLY  31   6.182 -13.101  -3.296
  257   1HA   GLY  31          1HA       GLY  31   6.690 -12.967  -1.055
  258   2HA   GLY  31          2HA       GLY  31   6.297 -11.256  -1.173
  259    H    PHE  32           HN       PHE  32   5.129 -10.970   0.662
  260    HA   PHE  32           HA       PHE  32   3.063 -12.817   1.428
  261   1HB   PHE  32          2HB       PHE  32   3.994 -10.225   2.584
  262   2HB   PHE  32          3HB       PHE  32   2.495 -10.972   3.116
  263    HD1  PHE  32           1HD      PHE  32   2.485 -12.571   4.725
  264    HD2  PHE  32           2HD      PHE  32   6.125 -11.651   2.715
  265    HE1  PHE  32           1HE      PHE  32   3.734 -13.970   6.336
  266    HE2  PHE  32           2HE      PHE  32   7.374 -13.059   4.306
  267    HZ   PHE  32           HZ       PHE  32   6.176 -14.220   6.118
  268    H    SER  33           HN       SER  33   3.174 -10.007  -0.532
  269    HA   SER  33           HA       SER  33   0.634  -9.040   0.102
  270   1HB   SER  33          2HB       SER  33   0.826  -7.777  -2.027
  271   2HB   SER  33          3HB       SER  33   2.168  -7.569  -0.907
  272    HG   SER  33           HG       SER  33   2.341  -9.573  -2.866
  273    H    ALA  34           HN       ALA  34   1.407 -11.782  -1.673
  274    HA   ALA  34           HA       ALA  34  -0.237 -11.891  -3.819
  275   1HB   ALA  34          1HB       ALA  34   1.067 -13.802  -2.144
  276   2HB   ALA  34          2HB       ALA  34  -0.525 -14.411  -2.599
  277   3HB   ALA  34          3HB       ALA  34   0.624 -13.930  -3.846
  278    H    GLN  35           HN       GLN  35  -1.240 -12.523  -0.466
  279    HA   GLN  35           HA       GLN  35  -3.965 -13.036  -1.246
  280   1HB   GLN  35          2HB       GLN  35  -3.053 -12.426   1.580
  281   2HB   GLN  35          3HB       GLN  35  -4.493 -13.288   1.068
  282   1HG   GLN  35          2HG       GLN  35  -3.094 -14.965   1.834
  283   2HG   GLN  35          3HG       GLN  35  -2.887 -15.020   0.083
  284   1HE2  GLN  35          1HE2      GLN  35  -1.459 -12.313   1.456
  285   2HE2  GLN  35          2HE2      GLN  35   0.176 -12.854   1.488
  286    H    ALA  36           HN       ALA  36  -2.169 -10.344   0.123
  287    HA   ALA  36           HA       ALA  36  -4.312  -8.738   0.878
  288   1HB   ALA  36          1HB       ALA  36  -1.866  -7.354   0.000
  289   2HB   ALA  36          2HB       ALA  36  -2.743  -7.263   1.528
  290   3HB   ALA  36          3HB       ALA  36  -1.653  -8.613   1.216
  291    H    VAL  37           HN       VAL  37  -2.438  -8.757  -2.107
  292    HA   VAL  37           HA       VAL  37  -3.555  -6.529  -3.353
  293    HB   VAL  37           HB       VAL  37  -1.577  -7.727  -4.184
  294   1HG1  VAL  37          1HG1      VAL  37  -3.536  -9.865  -4.974
  295   2HG1  VAL  37          2HG1      VAL  37  -1.893  -9.752  -5.603
  296   3HG1  VAL  37          3HG1      VAL  37  -2.162 -10.011  -3.878
  297   1HG2  VAL  37          1HG2      VAL  37  -1.887  -7.155  -6.385
  298   2HG2  VAL  37          2HG2      VAL  37  -3.498  -7.875  -6.458
  299   3HG2  VAL  37          3HG2      VAL  37  -3.258  -6.326  -5.648
  300    H    GLN  38           HN       GLN  38  -4.700  -9.855  -3.182
  301    HA   GLN  38           HA       GLN  38  -6.855  -9.554  -4.995
  302   1HB   GLN  38          2HB       GLN  38  -6.818 -11.485  -2.680
  303   2HB   GLN  38          3HB       GLN  38  -7.607 -11.674  -4.238
  304   1HG   GLN  38          2HG       GLN  38  -4.650 -11.750  -3.689
  305   2HG   GLN  38          3HG       GLN  38  -5.689 -13.112  -4.088
  306   1HE2  GLN  38          1HE2      GLN  38  -6.888 -10.835  -6.036
  307   2HE2  GLN  38          2HE2      GLN  38  -5.859 -11.010  -7.416
  308    H    ALA  39           HN       ALA  39  -6.597  -9.383  -1.466
  309    HA   ALA  39           HA       ALA  39  -9.293  -8.934  -0.891
  310   1HB   ALA  39          1HB       ALA  39  -6.795  -8.158   0.591
  311   2HB   ALA  39          2HB       ALA  39  -8.419  -7.882   1.231
  312   3HB   ALA  39          3HB       ALA  39  -7.867  -9.526   0.896
  313    H    LEU  40           HN       LEU  40  -6.701  -6.624  -1.601
  314    HA   LEU  40           HA       LEU  40  -8.075  -4.274  -0.946
  315   1HB   LEU  40          2HB       LEU  40  -5.594  -4.845  -1.833
  316   2HB   LEU  40          3HB       LEU  40  -6.301  -4.248  -3.309
  317    HG   LEU  40           HG       LEU  40  -6.003  -2.723  -0.725
  318   1HD1  LEU  40          1HD1      LEU  40  -4.881  -1.397  -2.962
  319   2HD1  LEU  40          2HD1      LEU  40  -4.061  -2.070  -1.551
  320   3HD1  LEU  40          3HD1      LEU  40  -4.312  -3.070  -2.981
  321   1HD2  LEU  40          1HD2      LEU  40  -7.739  -1.490  -1.352
  322   2HD2  LEU  40          2HD2      LEU  40  -6.756  -0.945  -2.714
  323   3HD2  LEU  40          3HD2      LEU  40  -7.848  -2.316  -2.908
  324    H    ALA  41           HN       ALA  41  -7.517  -5.722  -4.117
  325    HA   ALA  41           HA       ALA  41  -9.179  -4.029  -5.592
  326   1HB   ALA  41          1HB       ALA  41  -8.667  -6.871  -6.389
  327   2HB   ALA  41          2HB       ALA  41  -8.784  -5.433  -7.404
  328   3HB   ALA  41          3HB       ALA  41  -7.365  -5.681  -6.387
  329    H    ALA  42           HN       ALA  42  -9.780  -6.925  -3.771
  330    HA   ALA  42           HA       ALA  42 -12.385  -7.458  -4.835
  331   1HB   ALA  42          1HB       ALA  42 -12.573  -8.744  -2.552
  332   2HB   ALA  42          2HB       ALA  42 -11.533  -9.342  -3.845
  333   3HB   ALA  42          3HB       ALA  42 -10.835  -8.450  -2.491
  334    H    CYS  43           HN       CYS  43 -11.220  -5.833  -1.910
  335    HA   CYS  43           HA       CYS  43 -13.817  -5.196  -0.958
  336   1HB   CYS  43          2HB       CYS  43 -11.040  -4.586  -0.223
  337   2HB   CYS  43          3HB       CYS  43 -12.236  -3.411   0.297
  338    HG   CYS  43           HG       CYS  43 -11.408  -6.264   1.625
  339    H    GLY  44           HN       GLY  44 -11.256  -3.060  -2.284
  340   1HA   GLY  44          1HA       GLY  44 -13.326  -1.028  -2.693
  341   2HA   GLY  44          2HA       GLY  44 -11.603  -0.730  -2.574
  342    H    GLU  45           HN       GLU  45 -11.424   0.462  -4.351
  343    HA   GLU  45           HA       GLU  45 -11.794  -0.914  -6.910
  344   1HB   GLU  45          2HB       GLU  45 -12.229   1.992  -6.265
  345   2HB   GLU  45          3HB       GLU  45 -11.953   1.431  -7.908
  346   1HG   GLU  45          2HG       GLU  45 -14.198   0.539  -6.111
  347   2HG   GLU  45          3HG       GLU  45 -14.327   1.725  -7.407
  348    H    ARG  46           HN       ARG  46 -10.482   1.382  -8.221
  349    HA   ARG  46           HA       ARG  46  -8.039   0.211  -8.573
  350   1HB   ARG  46          2HB       ARG  46  -8.860   3.068  -9.085
  351   2HB   ARG  46          3HB       ARG  46  -7.356   2.367  -9.663
  352   1HG   ARG  46          2HG       ARG  46 -10.108   1.381 -10.360
  353   2HG   ARG  46          3HG       ARG  46  -9.101   2.421 -11.363
  354   1HD   ARG  46          2HD       ARG  46  -8.481  -0.396 -10.495
  355   2HD   ARG  46          3HD       ARG  46  -8.897   0.140 -12.122
  356    HE   ARG  46           HE       ARG  46  -6.329   0.145 -10.953
  357   1HH1  ARG  46          2HH1      ARG  46  -8.351   2.087 -13.078
  358   2HH1  ARG  46          1HH1      ARG  46  -7.006   2.906 -13.810
  359   1HH2  ARG  46          2HH2      ARG  46  -4.572   1.241 -11.904
  360   2HH2  ARG  46          1HH2      ARG  46  -4.859   2.430 -13.144
  361    H    PHE  47           HN       PHE  47  -6.002   0.559  -8.050
  362    HA   PHE  47           HA       PHE  47  -5.335   2.468  -5.966
  363   1HB   PHE  47          2HB       PHE  47  -4.516   0.797  -4.435
  364   2HB   PHE  47          3HB       PHE  47  -6.201   0.463  -4.793
  365    HD1  PHE  47           1HD      PHE  47  -6.867  -1.620  -5.602
  366    HD2  PHE  47           2HD      PHE  47  -2.725  -0.575  -5.609
  367    HE1  PHE  47           1HE      PHE  47  -6.264  -3.979  -6.016
  368    HE2  PHE  47           2HE      PHE  47  -2.134  -2.929  -6.055
  369    HZ   PHE  47           HZ       PHE  47  -3.907  -4.624  -6.270
  370    H    ALA  48           HN       ALA  48  -3.099   2.733  -5.689
  371    HA   ALA  48           HA       ALA  48  -1.544   1.814  -7.991
  372   1HB   ALA  48          1HB       ALA  48   0.007   3.650  -6.579
  373   2HB   ALA  48          2HB       ALA  48  -0.870   3.933  -8.083
  374   3HB   ALA  48          3HB       ALA  48  -1.633   4.303  -6.536
  375    H    TYR  49           HN       TYR  49   0.572   0.982  -7.656
  376    HA   TYR  49           HA       TYR  49   1.025  -0.073  -4.948
  377   1HB   TYR  49          2HB       TYR  49   1.140  -2.299  -5.709
  378   2HB   TYR  49          3HB       TYR  49  -0.195  -1.663  -6.663
  379    HD1  TYR  49           1HD      TYR  49   3.354  -2.492  -6.678
  380    HD2  TYR  49           2HD      TYR  49  -0.049  -1.637  -9.059
  381    HE1  TYR  49           1HE      TYR  49   4.619  -3.145  -8.660
  382    HE2  TYR  49           2HE      TYR  49   1.190  -2.317 -11.082
  383    HH   TYR  49           HH       TYR  49   4.548  -3.518 -10.853
  384    H    VAL  50           HN       VAL  50   3.241  -0.573  -4.545
  385    HA   VAL  50           HA       VAL  50   5.140   0.360  -6.594
  386    HB   VAL  50           HB       VAL  50   5.392   0.887  -3.617
  387   1HG1  VAL  50          1HG1      VAL  50   7.559   1.029  -4.164
  388   2HG1  VAL  50          2HG1      VAL  50   7.219   1.132  -5.891
  389   3HG1  VAL  50          3HG1      VAL  50   7.121   2.577  -4.886
  390   1HG2  VAL  50          1HG2      VAL  50   3.913   2.316  -5.595
  391   2HG2  VAL  50          2HG2      VAL  50   4.138   2.694  -3.887
  392   3HG2  VAL  50          3HG2      VAL  50   5.283   3.303  -5.085
  393    H    ASP  51           HN       ASP  51   6.648  -1.076  -7.017
  394    HA   ASP  51           HA       ASP  51   6.824  -3.476  -5.457
  395   1HB   ASP  51          2HB       ASP  51   8.637  -4.078  -7.133
  396   2HB   ASP  51          3HB       ASP  51   7.017  -3.837  -7.768
  397    H    ILE  52           HN       ILE  52   8.209  -3.966  -3.915
  398    HA   ILE  52           HA       ILE  52  10.605  -2.364  -3.524
  399    HB   ILE  52           HB       ILE  52   9.849  -2.371  -0.970
  400   1HG1  ILE  52          2HG1      ILE  52   7.469  -1.484  -0.972
  401   2HG1  ILE  52          3HG1      ILE  52   7.331  -2.174  -2.584
  402   1HG2  ILE  52          1HG2      ILE  52  10.155  -0.213  -1.213
  403   2HG2  ILE  52          2HG2      ILE  52  10.297  -0.512  -2.952
  404   3HG2  ILE  52          3HG2      ILE  52   8.739  -0.052  -2.258
  405   1HD1  ILE  52          1HD1      ILE  52   6.894  -3.424  -0.133
  406   2HD1  ILE  52          2HD1      ILE  52   6.889  -4.150  -1.743
  407   3HD1  ILE  52          3HD1      ILE  52   8.374  -4.127  -0.793
  408    H    LEU  53           HN       LEU  53   8.786  -5.265  -2.570
  409    HA   LEU  53           HA       LEU  53  11.001  -6.395  -1.141
  410   1HB   LEU  53          2HB       LEU  53   8.751  -7.834  -2.551
  411   2HB   LEU  53          3HB       LEU  53   9.966  -8.614  -1.567
  412    HG   LEU  53           HG       LEU  53   8.321  -8.515  -0.038
  413   1HD1  LEU  53          1HD1      LEU  53   9.508  -5.775   0.181
  414   2HD1  LEU  53          2HD1      LEU  53   8.532  -6.548   1.431
  415   3HD1  LEU  53          3HD1      LEU  53  10.075  -7.258   0.949
  416   1HD2  LEU  53          1HD2      LEU  53   6.413  -7.256  -0.084
  417   2HD2  LEU  53          2HD2      LEU  53   7.212  -5.863  -0.812
  418   3HD2  LEU  53          3HD2      LEU  53   6.840  -7.282  -1.796
  419    H    GLN  54           HN       GLN  54  10.480  -5.569  -4.292
  420    HA   GLN  54           HA       GLN  54  12.304  -7.538  -5.412
  421   1HB   GLN  54          2HB       GLN  54  10.187  -7.148  -6.588
  422   2HB   GLN  54          3HB       GLN  54  10.562  -5.437  -6.727
  423   1HG   GLN  54          2HG       GLN  54  12.405  -7.448  -7.934
  424   2HG   GLN  54          3HG       GLN  54  10.897  -7.043  -8.747
  425   1HE2  GLN  54          1HE2      GLN  54  11.474  -4.288  -7.300
  426   2HE2  GLN  54          2HE2      GLN  54  12.495  -3.487  -8.434
  427    H    ASN  55           HN       ASN  55  12.012  -4.007  -4.915
  428    HA   ASN  55           HA       ASN  55  14.759  -3.581  -5.851
  429   1HB   ASN  55          2HB       ASN  55  12.786  -1.618  -4.655
  430   2HB   ASN  55          3HB       ASN  55  14.369  -1.203  -5.299
  431   1HD2  ASN  55          1HD2      ASN  55  11.213  -1.124  -5.931
  432   2HD2  ASN  55          2HD2      ASN  55  11.226  -1.184  -7.661
  433    HA   PRO  56           HA       PRO  56  16.104  -4.378  -1.627
  434   1HB   PRO  56          2HB       PRO  56  18.751  -3.817  -2.106
  435   2HB   PRO  56          3HB       PRO  56  17.990  -5.383  -2.392
  436   1HG   PRO  56          2HG       PRO  56  18.661  -3.220  -4.323
  437   2HG   PRO  56          3HG       PRO  56  18.732  -4.977  -4.533
  438   1HD   PRO  56          2HD       PRO  56  16.738  -3.431  -5.546
  439   2HD   PRO  56          3HD       PRO  56  16.510  -5.126  -5.074
  440    H    ASP  57           HN       ASP  57  17.301  -1.567  -3.464
  441    HA   ASP  57           HA       ASP  57  18.155  -0.071  -1.251
  442   1HB   ASP  57          2HB       ASP  57  18.891   0.396  -3.536
  443   2HB   ASP  57          3HB       ASP  57  17.259   0.865  -3.988
  444    H    ILE  58           HN       ILE  58  15.146   0.182  -3.111
  445    HA   ILE  58           HA       ILE  58  14.041   2.228  -1.485
  446    HB   ILE  58           HB       ILE  58  12.542   0.300  -3.274
  447   1HG1  ILE  58          2HG1      ILE  58  13.796   2.983  -3.920
  448   2HG1  ILE  58          3HG1      ILE  58  14.362   1.421  -4.499
  449   1HG2  ILE  58          1HG2      ILE  58  11.437   1.957  -1.516
  450   2HG2  ILE  58          2HG2      ILE  58  11.708   3.115  -2.819
  451   3HG2  ILE  58          3HG2      ILE  58  10.728   1.677  -3.106
  452   1HD1  ILE  58          1HD1      ILE  58  12.336   1.121  -5.775
  453   2HD1  ILE  58          2HD1      ILE  58  11.677   2.623  -5.126
  454   3HD1  ILE  58          3HD1      ILE  58  13.085   2.665  -6.186
  455    H    ARG  59           HN       ARG  59  13.738  -1.280  -1.515
  456    HA   ARG  59           HA       ARG  59  11.686  -1.677   0.287
  457   1HB   ARG  59          2HB       ARG  59  12.780  -3.477  -0.962
  458   2HB   ARG  59          3HB       ARG  59  14.239  -3.267  -0.009
  459   1HG   ARG  59          2HG       ARG  59  12.987  -3.942   2.005
  460   2HG   ARG  59          3HG       ARG  59  11.565  -4.220   0.996
  461   1HD   ARG  59          2HD       ARG  59  12.797  -5.891  -0.289
  462   2HD   ARG  59          3HD       ARG  59  14.229  -5.603   0.697
  463    HE   ARG  59           HE       ARG  59  12.083  -6.297   2.369
  464   1HH1  ARG  59          2HH1      ARG  59  14.259  -7.689   0.016
  465   2HH1  ARG  59          1HH1      ARG  59  14.134  -9.298   0.662
  466   1HH2  ARG  59          2HH2      ARG  59  11.915  -8.395   3.237
  467   2HH2  ARG  59          1HH2      ARG  59  12.792  -9.706   2.508
  468    H    ALA  60           HN       ALA  60  15.060  -0.942   0.920
  469    HA   ALA  60           HA       ALA  60  15.015  -1.720   3.591
  470   1HB   ALA  60          1HB       ALA  60  16.948   0.260   2.446
  471   2HB   ALA  60          2HB       ALA  60  17.215  -0.933   3.717
  472   3HB   ALA  60          3HB       ALA  60  16.991  -1.457   2.049
  473    H    GLU  61           HN       GLU  61  14.887   1.607   2.279
  474    HA   GLU  61           HA       GLU  61  15.210   2.665   4.876
  475   1HB   GLU  61          2HB       GLU  61  14.443   4.086   2.327
  476   2HB   GLU  61          3HB       GLU  61  14.991   4.869   3.805
  477   1HG   GLU  61          2HG       GLU  61  17.123   3.627   3.622
  478   2HG   GLU  61          3HG       GLU  61  16.571   2.977   2.080
  479    H    LEU  62           HN       LEU  62  12.355   3.181   2.734
  480    HA   LEU  62           HA       LEU  62  11.115   4.752   4.645
  481   1HB   LEU  62          2HB       LEU  62   9.102   4.766   3.371
  482   2HB   LEU  62          3HB       LEU  62  10.486   4.894   2.302
  483    HG   LEU  62           HG       LEU  62   9.165   2.238   2.768
  484   1HD1  LEU  62          1HD1      LEU  62   7.312   2.895   1.739
  485   2HD1  LEU  62          2HD1      LEU  62   7.945   4.536   1.597
  486   3HD1  LEU  62          3HD1      LEU  62   8.278   3.350   0.335
  487   1HD2  LEU  62          1HD2      LEU  62  11.251   3.341   1.118
  488   2HD2  LEU  62          2HD2      LEU  62  10.819   1.656   1.408
  489   3HD2  LEU  62          3HD2      LEU  62   9.996   2.573   0.144
  490    HA   PRO  63           HA       PRO  63   8.277   0.881   5.736
  491   1HB   PRO  63          2HB       PRO  63   9.970  -1.162   6.558
  492   2HB   PRO  63          3HB       PRO  63   9.068  -1.141   5.039
  493   1HG   PRO  63          2HG       PRO  63  11.911  -0.370   5.566
  494   2HG   PRO  63          3HG       PRO  63  11.232  -1.295   4.211
  495   1HD   PRO  63          2HD       PRO  63  11.867   1.255   3.887
  496   2HD   PRO  63          3HD       PRO  63  10.360   0.618   3.191
  497    H    LYS  64           HN       LYS  64  11.543   1.341   6.894
  498    HA   LYS  64           HA       LYS  64  11.294   1.059   9.626
  499   1HB   LYS  64          2HB       LYS  64  12.951   2.991   8.021
  500   2HB   LYS  64          3HB       LYS  64  13.218   2.587   9.713
  501   1HG   LYS  64          2HG       LYS  64  13.907   0.454   9.229
  502   2HG   LYS  64          3HG       LYS  64  13.123   0.437   7.656
  503   1HD   LYS  64          2HD       LYS  64  15.518   0.576   7.403
  504   2HD   LYS  64          3HD       LYS  64  14.743   2.039   6.823
  505   1HE   LYS  64          2HE       LYS  64  16.086   1.759   9.501
  506   2HE   LYS  64          3HE       LYS  64  16.842   2.427   8.058
  507   1HZ   LYS  64          1HZ       LYS  64  14.776   3.996   8.137
  508   2HZ   LYS  64          2HZ       LYS  64  16.142   4.314   9.084
  509   3HZ   LYS  64          3HZ       LYS  64  14.779   3.592   9.786
  510    H    TYR  65           HN       TYR  65  10.619   3.802   7.530
  511    HA   TYR  65           HA       TYR  65  10.038   5.577   9.655
  512   1HB   TYR  65          2HB       TYR  65  10.076   7.152   8.066
  513   2HB   TYR  65          3HB       TYR  65  10.580   5.881   6.975
  514    HD1  TYR  65           1HD      TYR  65   7.311   7.184   8.309
  515    HD2  TYR  65           2HD      TYR  65   9.561   5.950   4.900
  516    HE1  TYR  65           1HE      TYR  65   5.414   7.738   6.860
  517    HE2  TYR  65           2HE      TYR  65   7.647   6.502   3.445
  518    HH   TYR  65           HH       TYR  65   4.621   7.781   4.798
  519    H    ALA  66           HN       ALA  66   7.960   3.527   7.525
  520    HA   ALA  66           HA       ALA  66   5.588   4.714   8.584
  521   1HB   ALA  66          1HB       ALA  66   5.709   2.004   7.330
  522   2HB   ALA  66          2HB       ALA  66   4.428   3.216   7.248
  523   3HB   ALA  66          3HB       ALA  66   5.943   3.477   6.385
  524    H    ASN  67           HN       ASN  67   6.822   1.380   8.999
  525    HA   ASN  67           HA       ASN  67   6.718   1.397  11.783
  526   1HB   ASN  67          2HB       ASN  67   4.496  -0.197  10.484
  527   2HB   ASN  67          3HB       ASN  67   5.111  -0.540  12.073
  528   1HD2  ASN  67          1HD2      ASN  67   4.141   0.368  13.719
  529   2HD2  ASN  67          2HD2      ASN  67   2.991   1.654  13.616
  530    H    TRP  68           HN       TRP  68   6.009  -0.842   9.191
  531    HA   TRP  68           HA       TRP  68   7.209  -3.138  10.018
  532   1HB   TRP  68          2HB       TRP  68   6.637  -2.022   7.296
  533   2HB   TRP  68          3HB       TRP  68   7.462  -3.567   7.457
  534    HD1  TRP  68           1HD      TRP  68   5.890  -5.451   7.090
  535    HE1  TRP  68           1HE      TRP  68   3.429  -5.985   7.570
  536    HE3  TRP  68           3HE      TRP  68   4.517  -1.074   9.355
  537    HZ2  TRP  68           2HZ      TRP  68   1.205  -4.750   8.768
  538    HZ3  TRP  68           3HZ      TRP  68   2.200  -0.842  10.142
  539    HH2  TRP  68           2HH      TRP  68   0.576  -2.639   9.849
  540    HA   PRO  69           HA       PRO  69  11.637  -2.749   9.401
  541   1HB   PRO  69          2HB       PRO  69  12.199  -5.333   8.748
  542   2HB   PRO  69          3HB       PRO  69  11.921  -4.798  10.408
  543   1HG   PRO  69          2HG       PRO  69  10.074  -6.204   8.533
  544   2HG   PRO  69          3HG       PRO  69  10.280  -6.419  10.280
  545   1HD   PRO  69          2HD       PRO  69   8.228  -5.007   9.155
  546   2HD   PRO  69          3HD       PRO  69   8.864  -4.689  10.779
  547    H    THR  70           HN       THR  70   9.581  -4.469   7.147
  548    HA   THR  70           HA       THR  70  10.704  -2.990   4.913
  549    HB   THR  70           HB       THR  70  10.798  -4.977   3.450
  550    HG1  THR  70           1HG      THR  70  10.632  -6.537   5.843
  551   1HG2  THR  70          1HG2      THR  70  12.828  -6.060   4.759
  552   2HG2  THR  70          2HG2      THR  70  12.590  -4.652   5.800
  553   3HG2  THR  70          3HG2      THR  70  12.927  -4.433   4.080
  554    H    PHE  71           HN       PHE  71   8.889  -5.441   3.621
  555    HA   PHE  71           HA       PHE  71   6.319  -4.158   4.219
  556   1HB   PHE  71          2HB       PHE  71   7.303  -4.626   1.387
  557   2HB   PHE  71          3HB       PHE  71   5.787  -3.875   1.860
  558    HD1  PHE  71           1HD      PHE  71   5.659  -1.551   2.192
  559    HD2  PHE  71           2HD      PHE  71   9.459  -3.446   1.947
  560    HE1  PHE  71           1HE      PHE  71   6.752   0.652   2.103
  561    HE2  PHE  71           2HE      PHE  71  10.547  -1.254   1.854
  562    HZ   PHE  71           HZ       PHE  71   9.192   0.794   1.913
  563    HA   PRO  72           HA       PRO  72   4.807  -4.861   1.411
  564   1HB   PRO  72          2HB       PRO  72   2.275  -5.845   1.489
  565   2HB   PRO  72          3HB       PRO  72   3.525  -6.463   0.405
  566   1HG   PRO  72          2HG       PRO  72   2.567  -7.553   3.018
  567   2HG   PRO  72          3HG       PRO  72   2.973  -8.417   1.522
  568   1HD   PRO  72          2HD       PRO  72   4.654  -8.283   3.641
  569   2HD   PRO  72          3HD       PRO  72   5.226  -8.385   1.967
  570    H    GLN  73           HN       GLN  73   3.426  -3.135   1.686
  571    HA   GLN  73           HA       GLN  73   1.958  -2.868   4.210
  572   1HB   GLN  73          2HB       GLN  73   3.765  -0.668   3.191
  573   2HB   GLN  73          3HB       GLN  73   2.760  -0.640   4.626
  574   1HG   GLN  73          2HG       GLN  73   4.158  -2.338   5.657
  575   2HG   GLN  73          3HG       GLN  73   5.187  -2.355   4.217
  576   1HE2  GLN  73          1HE2      GLN  73   4.911  -1.130   7.242
  577   2HE2  GLN  73          2HE2      GLN  73   5.896   0.279   7.076
  578    H    LEU  74           HN       LEU  74   0.057  -1.873   3.893
  579    HA   LEU  74           HA       LEU  74  -0.547  -0.783   1.241
  580   1HB   LEU  74          2HB       LEU  74  -1.924  -2.640   2.102
  581   2HB   LEU  74          3HB       LEU  74  -2.376  -1.663   3.477
  582    HG   LEU  74           HG       LEU  74  -4.132  -1.887   1.702
  583   1HD1  LEU  74          1HD1      LEU  74  -5.002   0.035   2.386
  584   2HD1  LEU  74          2HD1      LEU  74  -3.474   0.333   3.213
  585   3HD1  LEU  74          3HD1      LEU  74  -3.740   0.981   1.593
  586   1HD2  LEU  74          1HD2      LEU  74  -2.185  -0.220   0.130
  587   2HD2  LEU  74          2HD2      LEU  74  -2.738  -1.852  -0.251
  588   3HD2  LEU  74          3HD2      LEU  74  -3.868  -0.500  -0.317
  589    H    TRP  75           HN       TRP  75  -1.071   1.315   0.973
  590    HA   TRP  75           HA       TRP  75  -1.223   3.005   3.382
  591   1HB   TRP  75          2HB       TRP  75   0.007   3.639   0.702
  592   2HB   TRP  75          3HB       TRP  75  -0.220   4.804   1.998
  593    HD1  TRP  75           1HD      TRP  75   1.738   1.481   1.405
  594    HE1  TRP  75           1HE      TRP  75   3.871   1.596   2.868
  595    HE3  TRP  75           3HE      TRP  75   0.821   5.868   3.806
  596    HZ2  TRP  75           2HZ      TRP  75   4.983   3.330   4.789
  597    HZ3  TRP  75           3HZ      TRP  75   2.457   6.697   5.448
  598    HH2  TRP  75           2HH      TRP  75   4.495   5.447   5.928
  599    H    VAL  76           HN       VAL  76  -2.942   4.260   3.569
  600    HA   VAL  76           HA       VAL  76  -4.744   4.582   1.251
  601    HB   VAL  76           HB       VAL  76  -5.447   4.470   4.203
  602   1HG1  VAL  76          1HG1      VAL  76  -7.024   5.194   1.796
  603   2HG1  VAL  76          2HG1      VAL  76  -7.821   4.302   3.095
  604   3HG1  VAL  76          3HG1      VAL  76  -7.067   5.864   3.425
  605   1HG2  VAL  76          1HG2      VAL  76  -6.168   2.537   2.011
  606   2HG2  VAL  76          2HG2      VAL  76  -4.885   2.287   3.196
  607   3HG2  VAL  76          3HG2      VAL  76  -6.564   2.399   3.724
  608    H    ASP  77           HN       ASP  77  -4.811   6.659   0.556
  609    HA   ASP  77           HA       ASP  77  -4.536   8.931   0.459
  610   1HB   ASP  77          2HB       ASP  77  -6.486   8.694   2.050
  611   2HB   ASP  77          3HB       ASP  77  -5.315   8.853   3.358
  612    H    GLY  78           HN       GLY  78  -2.381   7.334   1.005
  613   1HA   GLY  78          1HA       GLY  78  -0.134   7.509   1.426
  614   2HA   GLY  78          2HA       GLY  78  -0.408   9.201   1.786
  615    H    GLU  79           HN       GLU  79  -2.041   6.644   3.561
  616    HA   GLU  79           HA       GLU  79  -0.104   6.941   5.712
  617   1HB   GLU  79          2HB       GLU  79  -3.078   7.182   6.109
  618   2HB   GLU  79          3HB       GLU  79  -1.924   6.953   7.417
  619   1HG   GLU  79          2HG       GLU  79  -0.788   9.049   6.651
  620   2HG   GLU  79          3HG       GLU  79  -2.145   9.301   5.556
  621    H    LEU  80           HN       LEU  80   0.430   5.190   6.750
  622    HA   LEU  80           HA       LEU  80   0.002   2.759   5.485
  623   1HB   LEU  80          2HB       LEU  80   2.061   3.306   6.616
  624   2HB   LEU  80          3HB       LEU  80   1.236   3.410   8.163
  625    HG   LEU  80           HG       LEU  80   0.711   0.982   7.973
  626   1HD1  LEU  80          1HD1      LEU  80   0.828   0.321   5.798
  627   2HD1  LEU  80          2HD1      LEU  80   2.230   1.337   5.449
  628   3HD1  LEU  80          3HD1      LEU  80   2.433  -0.166   6.358
  629   1HD2  LEU  80          1HD2      LEU  80   3.027   2.259   8.771
  630   2HD2  LEU  80          2HD2      LEU  80   2.532   0.618   9.186
  631   3HD2  LEU  80          3HD2      LEU  80   3.593   0.897   7.805
  632    H    VAL  81           HN       VAL  81  -1.337   1.149   5.743
  633    HA   VAL  81           HA       VAL  81  -3.021   1.018   8.160
  634    HB   VAL  81           HB       VAL  81  -3.510  -0.205   5.430
  635   1HG1  VAL  81          1HG1      VAL  81  -5.654  -0.963   6.332
  636   2HG1  VAL  81          2HG1      VAL  81  -4.299  -1.690   7.198
  637   3HG1  VAL  81          3HG1      VAL  81  -5.198  -0.356   7.925
  638   1HG2  VAL  81          1HG2      VAL  81  -4.100   2.032   5.220
  639   2HG2  VAL  81          2HG2      VAL  81  -5.624   1.257   5.655
  640   3HG2  VAL  81          3HG2      VAL  81  -4.698   2.134   6.874
  641    H    GLY  82           HN       GLY  82  -1.380  -1.016   5.756
  642   1HA   GLY  82          1HA       GLY  82   0.377  -2.493   7.049
  643   2HA   GLY  82          2HA       GLY  82  -1.103  -3.205   7.680
  644    H    GLY  83           HN       GLY  83   1.153  -4.019   5.635
  645   1HA   GLY  83          1HA       GLY  83  -0.301  -4.108   3.189
  646   2HA   GLY  83          2HA       GLY  83   1.303  -4.744   3.458
  647    H    CYS  84           HN       CYS  84   1.193  -6.926   4.872
  648    HA   CYS  84           HA       CYS  84  -0.266  -8.604   3.092
  649   1HB   CYS  84          2HB       CYS  84   0.839 -10.479   4.303
  650   2HB   CYS  84          3HB       CYS  84   1.948  -9.249   3.708
  651    HG   CYS  84           HG       CYS  84   2.193 -10.489   6.515
  652    H    ASP  85           HN       ASP  85  -0.197  -8.763   6.631
  653    HA   ASP  85           HA       ASP  85  -2.566 -10.343   6.716
  654   1HB   ASP  85          2HB       ASP  85  -0.764 -10.593   8.358
  655   2HB   ASP  85          3HB       ASP  85  -1.046  -8.952   8.929
  656    H    ILE  86           HN       ILE  86  -1.823  -7.011   7.598
  657    HA   ILE  86           HA       ILE  86  -4.232  -6.366   8.774
  658    HB   ILE  86           HB       ILE  86  -2.463  -4.508   7.184
  659   1HG1  ILE  86          2HG1      ILE  86  -1.244  -5.677   8.971
  660   2HG1  ILE  86          3HG1      ILE  86  -1.444  -3.971   9.355
  661   1HG2  ILE  86          1HG2      ILE  86  -4.893  -3.845   7.835
  662   2HG2  ILE  86          2HG2      ILE  86  -4.231  -3.712   9.467
  663   3HG2  ILE  86          3HG2      ILE  86  -3.571  -2.721   8.165
  664   1HD1  ILE  86          1HD1      ILE  86  -2.744  -6.352  10.598
  665   2HD1  ILE  86          2HD1      ILE  86  -1.890  -5.011  11.360
  666   3HD1  ILE  86          3HD1      ILE  86  -3.503  -4.763  10.695
  667    H    VAL  87           HN       VAL  87  -3.328  -6.082   5.330
  668    HA   VAL  87           HA       VAL  87  -5.717  -4.909   4.460
  669    HB   VAL  87           HB       VAL  87  -3.846  -6.753   2.968
  670   1HG1  VAL  87          1HG1      VAL  87  -6.427  -5.541   2.189
  671   2HG1  VAL  87          2HG1      VAL  87  -5.110  -5.386   1.025
  672   3HG1  VAL  87          3HG1      VAL  87  -5.618  -6.984   1.573
  673   1HG2  VAL  87          1HG2      VAL  87  -2.897  -4.810   2.057
  674   2HG2  VAL  87          2HG2      VAL  87  -4.232  -3.797   2.607
  675   3HG2  VAL  87          3HG2      VAL  87  -3.086  -4.458   3.774
  676    H    ILE  88           HN       ILE  88  -4.832  -8.363   4.702
  677    HA   ILE  88           HA       ILE  88  -7.270  -9.365   3.747
  678    HB   ILE  88           HB       ILE  88  -5.316 -10.609   5.681
  679   1HG1  ILE  88          2HG1      ILE  88  -4.439 -10.187   3.418
  680   2HG1  ILE  88          3HG1      ILE  88  -4.619 -11.915   3.719
  681   1HG2  ILE  88          1HG2      ILE  88  -7.262 -11.792   6.138
  682   2HG2  ILE  88          2HG2      ILE  88  -7.848 -11.671   4.479
  683   3HG2  ILE  88          3HG2      ILE  88  -6.512 -12.759   4.868
  684   1HD1  ILE  88          1HD1      ILE  88  -6.945 -11.552   2.571
  685   2HD1  ILE  88          2HD1      ILE  88  -6.141 -10.134   1.891
  686   3HD1  ILE  88          3HD1      ILE  88  -5.473 -11.744   1.613
  687    H    GLU  89           HN       GLU  89  -6.221  -8.768   7.115
  688    HA   GLU  89           HA       GLU  89  -8.640  -9.595   8.301
  689   1HB   GLU  89          2HB       GLU  89  -6.562  -9.183   9.588
  690   2HB   GLU  89          3HB       GLU  89  -6.734  -7.456   9.289
  691   1HG   GLU  89          2HG       GLU  89  -8.950  -7.568  10.457
  692   2HG   GLU  89          3HG       GLU  89  -8.553  -9.226  10.903
  693    H    MET  90           HN       MET  90  -7.512  -6.339   7.451
  694    HA   MET  90           HA       MET  90  -9.821  -4.953   8.205
  695   1HB   MET  90          2HB       MET  90  -7.523  -4.026   7.740
  696   2HB   MET  90          3HB       MET  90  -7.884  -4.148   6.029
  697   1HG   MET  90          2HG       MET  90  -8.227  -1.896   6.799
  698   2HG   MET  90          3HG       MET  90  -9.769  -2.612   6.330
  699   1HE   MET  90          1HE       MET  90  -7.805  -3.369   9.707
  700   2HE   MET  90          2HE       MET  90  -7.408  -1.699   9.302
  701   3HE   MET  90          3HE       MET  90  -8.409  -2.050  10.711
  702    H    TYR  91           HN       TYR  91  -8.956  -6.569   5.251
  703    HA   TYR  91           HA       TYR  91 -11.091  -5.809   3.535
  704   1HB   TYR  91          2HB       TYR  91  -9.286  -6.941   2.555
  705   2HB   TYR  91          3HB       TYR  91  -9.208  -8.135   3.835
  706    HD1  TYR  91           1HD      TYR  91  -9.968 -10.225   3.464
  707    HD2  TYR  91           2HD      TYR  91 -11.417  -7.082   1.004
  708    HE1  TYR  91           1HE      TYR  91 -11.083 -11.872   2.053
  709    HE2  TYR  91           2HE      TYR  91 -12.548  -8.694  -0.422
  710    HH   TYR  91           HH       TYR  91 -13.408 -11.503   0.291
  711    H    GLN  92           HN       GLN  92 -10.683  -8.583   5.723
  712    HA   GLN  92           HA       GLN  92 -13.276  -9.642   5.366
  713   1HB   GLN  92          2HB       GLN  92 -11.413  -9.895   7.739
  714   2HB   GLN  92          3HB       GLN  92 -12.828 -10.899   7.443
  715   1HG   GLN  92          2HG       GLN  92 -11.804 -11.746   5.384
  716   2HG   GLN  92          3HG       GLN  92 -10.401 -10.718   5.672
  717   1HE2  GLN  92          1HE2      GLN  92 -11.553 -13.771   5.983
  718   2HE2  GLN  92          2HE2      GLN  92 -10.504 -14.344   7.226
  719    H    ARG  93           HN       ARG  93 -11.927  -7.295   7.600
  720    HA   ARG  93           HA       ARG  93 -14.178  -6.881   9.251
  721   1HB   ARG  93          2HB       ARG  93 -12.044  -4.887   8.446
  722   2HB   ARG  93          3HB       ARG  93 -13.125  -4.745   9.820
  723   1HG   ARG  93          2HG       ARG  93 -11.052  -6.896   9.468
  724   2HG   ARG  93          3HG       ARG  93 -10.859  -5.446  10.452
  725   1HD   ARG  93          2HD       ARG  93 -13.026  -7.493  10.879
  726   2HD   ARG  93          3HD       ARG  93 -11.477  -7.515  11.717
  727    HE   ARG  93           HE       ARG  93 -13.724  -5.878  12.325
  728   1HH1  ARG  93          2HH1      ARG  93 -10.210  -5.915  12.364
  729   2HH1  ARG  93          1HH1      ARG  93 -10.084  -4.647  13.544
  730   1HH2  ARG  93          2HH2      ARG  93 -13.542  -4.228  13.922
  731   2HH2  ARG  93          1HH2      ARG  93 -11.969  -3.732  14.461
  732    H    GLY  94           HN       GLY  94 -13.332  -5.743   6.049
  733   1HA   GLY  94          1HA       GLY  94 -14.788  -4.800   4.456
  734   2HA   GLY  94          2HA       GLY  94 -15.966  -4.512   5.732
  735    H    GLU  95           HN       GLU  95 -13.756  -3.384   7.395
  736    HA   GLU  95           HA       GLU  95 -14.209  -0.681   6.863
  737   1HB   GLU  95          2HB       GLU  95 -12.065  -1.983   8.539
  738   2HB   GLU  95          3HB       GLU  95 -12.552  -0.293   8.635
  739   1HG   GLU  95          2HG       GLU  95 -14.777  -0.934   9.321
  740   2HG   GLU  95          3HG       GLU  95 -14.370  -2.638   9.136
  741    H    LEU  96           HN       LEU  96 -11.865  -2.814   5.535
  742    HA   LEU  96           HA       LEU  96  -9.794  -1.023   4.841
  743   1HB   LEU  96          2HB       LEU  96  -9.549  -3.451   4.676
  744   2HB   LEU  96          3HB       LEU  96 -10.756  -3.499   3.407
  745    HG   LEU  96           HG       LEU  96  -9.245  -2.139   1.974
  746   1HD1  LEU  96          1HD1      LEU  96  -7.095  -2.713   3.989
  747   2HD1  LEU  96          2HD1      LEU  96  -7.022  -1.676   2.564
  748   3HD1  LEU  96          3HD1      LEU  96  -7.982  -1.188   3.961
  749   1HD2  LEU  96          1HD2      LEU  96  -8.773  -4.873   2.896
  750   2HD2  LEU  96          2HD2      LEU  96  -8.950  -4.236   1.262
  751   3HD2  LEU  96          3HD2      LEU  96  -7.396  -4.127   2.086
  752    H    GLN  97           HN       GLN  97 -12.489  -2.240   2.944
  753    HA   GLN  97           HA       GLN  97 -12.158  -0.455   0.767
  754   1HB   GLN  97          2HB       GLN  97 -14.567  -1.087   0.254
  755   2HB   GLN  97          3HB       GLN  97 -13.377  -2.368   0.236
  756   1HG   GLN  97          2HG       GLN  97 -14.087  -2.911   2.578
  757   2HG   GLN  97          3HG       GLN  97 -15.413  -1.771   2.351
  758   1HE2  GLN  97          1HE2      GLN  97 -14.478  -4.923   2.119
  759   2HE2  GLN  97          2HE2      GLN  97 -15.687  -5.497   1.021
  760    H    GLN  98           HN       GLN  98 -13.616  -0.139   3.845
  761    HA   GLN  98           HA       GLN  98 -15.299   2.091   3.319
  762   1HB   GLN  98          2HB       GLN  98 -13.922   1.123   5.826
  763   2HB   GLN  98          3HB       GLN  98 -15.013   2.489   5.806
  764   1HG   GLN  98          2HG       GLN  98 -15.742  -0.312   5.009
  765   2HG   GLN  98          3HG       GLN  98 -16.069   0.414   6.582
  766   1HE2  GLN  98          1HE2      GLN  98 -18.010   1.203   6.830
  767   2HE2  GLN  98          2HE2      GLN  98 -19.058   1.778   5.574
  768    H    LEU  99           HN       LEU  99 -11.994   1.717   4.482
  769    HA   LEU  99           HA       LEU  99 -11.355   4.475   4.625
  770   1HB   LEU  99          2HB       LEU  99  -9.439   2.200   4.098
  771   2HB   LEU  99          3HB       LEU  99  -9.072   3.745   4.839
  772    HG   LEU  99           HG       LEU  99 -10.757   1.549   6.049
  773   1HD1  LEU  99          1HD1      LEU  99  -8.049   2.572   6.900
  774   2HD1  LEU  99          2HD1      LEU  99  -8.939   1.202   7.561
  775   3HD1  LEU  99          3HD1      LEU  99  -8.297   1.127   5.919
  776   1HD2  LEU  99          1HD2      LEU  99  -9.916   3.496   7.944
  777   2HD2  LEU  99          2HD2      LEU  99 -10.690   4.341   6.603
  778   3HD2  LEU  99          3HD2      LEU  99 -11.557   3.068   7.459
  779    H    ILE 100           HN       ILE 100 -10.839   1.978   2.177
  780    HA   ILE 100           HA       ILE 100  -9.426   3.603   0.362
  781    HB   ILE 100           HB       ILE 100 -11.130   1.182  -0.266
  782   1HG1  ILE 100          2HG1      ILE 100  -9.372   0.679   1.373
  783   2HG1  ILE 100          3HG1      ILE 100  -9.018  -0.072  -0.178
  784   1HG2  ILE 100          1HG2      ILE 100 -10.609   1.485  -2.403
  785   2HG2  ILE 100          2HG2      ILE 100  -9.837   3.017  -1.982
  786   3HG2  ILE 100          3HG2      ILE 100  -8.890   1.525  -2.005
  787   1HD1  ILE 100          1HD1      ILE 100  -7.724   2.342  -0.353
  788   2HD1  ILE 100          2HD1      ILE 100  -7.510   1.891   1.338
  789   3HD1  ILE 100          3HD1      ILE 100  -6.983   0.795   0.060
  790    H    LYS 101           HN       LYS 101 -12.879   2.834   0.648
  791    HA   LYS 101           HA       LYS 101 -13.912   4.089  -1.583
  792   1HB   LYS 101          2HB       LYS 101 -15.279   2.803  -0.014
  793   2HB   LYS 101          3HB       LYS 101 -15.014   4.014   1.236
  794   1HG   LYS 101          2HG       LYS 101 -16.052   5.621  -0.530
  795   2HG   LYS 101          3HG       LYS 101 -16.719   4.134  -1.186
  796   1HD   LYS 101          2HD       LYS 101 -17.080   5.170   1.622
  797   2HD   LYS 101          3HD       LYS 101 -18.301   5.155   0.350
  798   1HE   LYS 101          2HE       LYS 101 -18.280   2.728   0.333
  799   2HE   LYS 101          3HE       LYS 101 -17.002   2.714   1.548
  800   1HZ   LYS 101          1HZ       LYS 101 -19.009   2.357   2.693
  801   2HZ   LYS 101          2HZ       LYS 101 -19.810   3.611   1.875
  802   3HZ   LYS 101          3HZ       LYS 101 -18.595   3.969   3.006
  803    H    GLU 102           HN       GLU 102 -13.582   5.443   1.664
  804    HA   GLU 102           HA       GLU 102 -14.487   7.990   1.058
  805   1HB   GLU 102          2HB       GLU 102 -14.209   6.985   3.333
  806   2HB   GLU 102          3HB       GLU 102 -12.478   7.260   3.195
  807   1HG   GLU 102          2HG       GLU 102 -12.899   9.668   2.994
  808   2HG   GLU 102          3HG       GLU 102 -14.625   9.366   3.197
  809    H    THR 103           HN       THR 103 -11.205   6.741   1.208
  810    HA   THR 103           HA       THR 103  -9.898   9.171   0.586
  811    HB   THR 103           HB       THR 103  -8.939   6.328   0.287
  812    HG1  THR 103           1HG      THR 103  -9.300   6.554   2.414
  813   1HG2  THR 103          1HG2      THR 103  -7.399   8.904   0.510
  814   2HG2  THR 103          2HG2      THR 103  -7.583   7.942  -0.955
  815   3HG2  THR 103          3HG2      THR 103  -6.712   7.283   0.428
  816    H    ALA 104           HN       ALA 104 -10.755   6.341  -1.400
  817    HA   ALA 104           HA       ALA 104  -9.564   7.244  -3.761
  818   1HB   ALA 104          1HB       ALA 104 -11.180   5.690  -4.885
  819   2HB   ALA 104          2HB       ALA 104 -10.201   4.970  -3.606
  820   3HB   ALA 104          3HB       ALA 104 -11.884   5.395  -3.295
  821    H    ALA 105           HN       ALA 105 -12.861   7.620  -2.529
  822    HA   ALA 105           HA       ALA 105 -13.904   9.032  -4.721
  823   1HB   ALA 105          1HB       ALA 105 -15.376   8.012  -3.134
  824   2HB   ALA 105          2HB       ALA 105 -14.759   9.034  -1.834
  825   3HB   ALA 105          3HB       ALA 105 -15.681   9.749  -3.158
  826    H    LYS 106           HN       LYS 106 -12.158  10.191  -1.848
  827    HA   LYS 106           HA       LYS 106 -12.744  12.904  -2.502
  828   1HB   LYS 106          2HB       LYS 106 -11.149  13.542  -0.733
  829   2HB   LYS 106          3HB       LYS 106 -12.388  12.431  -0.186
  830   1HG   LYS 106          2HG       LYS 106 -10.468  11.671   0.847
  831   2HG   LYS 106          3HG       LYS 106 -10.637  10.608  -0.549
  832   1HD   LYS 106          2HD       LYS 106  -8.342  11.237  -0.357
  833   2HD   LYS 106          3HD       LYS 106  -9.014  12.051  -1.765
  834   1HE   LYS 106          2HE       LYS 106  -7.639  13.607  -0.579
  835   2HE   LYS 106          3HE       LYS 106  -9.323  14.082  -0.352
  836   1HZ   LYS 106          1HZ       LYS 106  -9.318  13.153   1.828
  837   2HZ   LYS 106          2HZ       LYS 106  -7.954  14.152   1.695
  838   3HZ   LYS 106          3HZ       LYS 106  -7.778  12.463   1.605
  839    H    TYR 107           HN       TYR 107 -10.131  10.685  -3.327
  840    HA   TYR 107           HA       TYR 107  -8.623  12.831  -4.555
  841   1HB   TYR 107          2HB       TYR 107  -8.220   9.849  -4.556
  842   2HB   TYR 107          3HB       TYR 107  -7.243  10.926  -5.545
  843    HD1  TYR 107           1HD      TYR 107  -5.781  12.599  -4.439
  844    HD2  TYR 107           2HD      TYR 107  -7.780   9.558  -2.216
  845    HE1  TYR 107           1HE      TYR 107  -4.205  12.918  -2.582
  846    HE2  TYR 107           2HE      TYR 107  -6.241   9.888  -0.368
  847    HH   TYR 107           HH       TYR 107  -4.741  11.597   0.522
  848    H    LYS 108           HN       LYS 108 -10.502  10.017  -5.850
  849    HA   LYS 108           HA       LYS 108 -10.803  11.624  -8.286
  850   1HB   LYS 108          2HB       LYS 108 -11.370   8.686  -8.103
  851   2HB   LYS 108          3HB       LYS 108 -11.468   9.684  -9.536
  852   1HG   LYS 108          2HG       LYS 108  -9.485   8.511  -9.813
  853   2HG   LYS 108          3HG       LYS 108  -8.950  10.077  -9.198
  854   1HD   LYS 108          2HD       LYS 108  -7.863   8.057  -8.137
  855   2HD   LYS 108          3HD       LYS 108  -8.626   9.188  -7.005
  856   1HE   LYS 108          2HE       LYS 108 -10.562   7.841  -6.844
  857   2HE   LYS 108          3HE       LYS 108 -10.019   6.784  -8.143
  858   1HZ   LYS 108          1HZ       LYS 108  -9.645   5.617  -6.186
  859   2HZ   LYS 108          2HZ       LYS 108  -8.998   6.959  -5.379
  860   3HZ   LYS 108          3HZ       LYS 108  -8.108   6.204  -6.603
  861    H    SER 109           HN       SER 109 -12.822  12.385  -8.693
  862    HA   SER 109           HA       SER 109 -14.637  12.566  -6.675
  863   1HB   SER 109          2HB       SER 109 -15.247  12.718  -9.619
  864   2HB   SER 109          3HB       SER 109 -16.253  13.368  -8.330
  865    HG   SER 109           HG       SER 109 -14.152  14.513  -7.748
  866    H    GLU 110           HN       GLU 110 -16.006  11.386  -5.789
  867    HA   GLU 110           HA       GLU 110 -17.071   9.490  -5.119
  868   1HB   GLU 110          2HB       GLU 110 -19.222   9.325  -6.359
  869   2HB   GLU 110          3HB       GLU 110 -18.789  10.935  -5.810
  870   1HG   GLU 110          2HG       GLU 110 -18.108  11.557  -8.027
  871   2HG   GLU 110          3HG       GLU 110 -18.381   9.918  -8.601
  872    H    GLU 111           HN       GLU 111 -14.957   8.228  -6.159
  873    HA   GLU 111           HA       GLU 111 -15.924   6.221  -7.971
  874   1HB   GLU 111          2HB       GLU 111 -13.618   6.643  -8.223
  875   2HB   GLU 111          3HB       GLU 111 -13.344   6.698  -6.486
  876   1HG   GLU 111          2HG       GLU 111 -13.654   4.385  -6.313
  877   2HG   GLU 111          3HG       GLU 111 -14.177   4.250  -7.988
  878    HA   PRO 112           HA       PRO 112 -17.948   4.473  -4.455
  879   1HB   PRO 112          2HB       PRO 112 -19.053   2.515  -6.267
  880   2HB   PRO 112          3HB       PRO 112 -19.852   3.871  -5.495
  881   1HG   PRO 112          2HG       PRO 112 -19.436   3.817  -8.146
  882   2HG   PRO 112          3HG       PRO 112 -19.367   5.328  -7.216
  883   1HD   PRO 112          2HD       PRO 112 -17.121   3.545  -8.065
  884   2HD   PRO 112          3HD       PRO 112 -17.265   5.305  -8.270
  885    H    ASP 113           HN       ASP 113 -15.512   3.544  -4.160
  886    HA   ASP 113           HA       ASP 113 -14.767   1.009  -4.822
  887   1HB   ASP 113          2HB       ASP 113 -14.281   2.371  -2.169
  888   2HB   ASP 113          3HB       ASP 113 -13.377   0.985  -2.776
  889    H    ALA 114           HN       ALA 114 -16.001   1.645  -1.540
  890    HA   ALA 114           HA       ALA 114 -16.734  -1.138  -1.291
  891   1HB   ALA 114          1HB       ALA 114 -16.200  -0.694   0.824
  892   2HB   ALA 114          2HB       ALA 114 -16.192   1.042   0.509
  893   3HB   ALA 114          3HB       ALA 114 -17.697   0.232   0.946
  894    H    GLU 115           HN       GLU 115 -18.390   1.975  -1.206
  895    HA   GLU 115           HA       GLU 115 -20.746   0.922  -2.415
  896   1HB   GLU 115          2HB       GLU 115 -21.127   0.143  -0.129
  897   2HB   GLU 115          3HB       GLU 115 -20.836   1.760   0.493
  898   1HG   GLU 115          2HG       GLU 115 -22.832   2.575  -0.587
  899   2HG   GLU 115          3HG       GLU 115 -23.098   1.003  -1.342
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  21.491   6.473  -6.438
    2   2H    MET   1          2H        MET   1  22.047   8.064  -6.255
    3   3H    MET   1          3H        MET   1  21.275   7.600  -7.693
    4    HA   MET   1           HA       MET   1  19.626   8.747  -6.594
    5   1HB   MET   1          2HB       MET   1  19.352   5.864  -5.705
    6   2HB   MET   1          3HB       MET   1  18.035   7.021  -5.853
    7   1HG   MET   1          2HG       MET   1  18.452   7.170  -8.261
    8   2HG   MET   1          3HG       MET   1  19.746   5.985  -8.101
    9   1HE   MET   1          1HE       MET   1  15.966   5.524  -6.254
   10   2HE   MET   1          2HE       MET   1  16.205   6.845  -7.397
   11   3HE   MET   1          3HE       MET   1  15.260   5.432  -7.866
   12    H    SER   2           HN       SER   2  19.153   9.906  -4.812
   13    HA   SER   2           HA       SER   2  20.895   9.812  -2.627
   14   1HB   SER   2          2HB       SER   2  18.249  11.252  -2.893
   15   2HB   SER   2          3HB       SER   2  19.482  11.593  -1.677
   16    HG   SER   2           HG       SER   2  20.915  11.879  -3.607
   17    H    THR   3           HN       THR   3  17.536   8.776  -2.942
   18    HA   THR   3           HA       THR   3  16.134   7.541  -1.686
   19    HB   THR   3           HB       THR   3  17.048   5.610  -0.430
   20    HG1  THR   3           1HG      THR   3  19.187   7.024  -0.175
   21   1HG2  THR   3          1HG2      THR   3  16.926   5.968  -3.108
   22   2HG2  THR   3          2HG2      THR   3  17.359   4.440  -2.336
   23   3HG2  THR   3          3HG2      THR   3  18.623   5.525  -2.920
   24    H    THR   4           HN       THR   4  14.955   8.386  -0.161
   25    HA   THR   4           HA       THR   4  15.826   8.588   2.558
   26    HB   THR   4           HB       THR   4  15.105  11.047   2.712
   27    HG1  THR   4           1HG      THR   4  16.052  11.831   0.364
   28   1HG2  THR   4          1HG2      THR   4  17.667   9.899   2.155
   29   2HG2  THR   4          2HG2      THR   4  17.259  11.283   3.168
   30   3HG2  THR   4          3HG2      THR   4  17.571  11.511   1.447
   31    H    ILE   5           HN       ILE   5  14.136   8.718   3.979
   32    HA   ILE   5           HA       ILE   5  11.546   7.977   3.200
   33    HB   ILE   5           HB       ILE   5  12.646   9.163   5.734
   34   1HG1  ILE   5          2HG1      ILE   5  11.246   6.545   5.242
   35   2HG1  ILE   5          3HG1      ILE   5  12.991   6.725   5.100
   36   1HG2  ILE   5          1HG2      ILE   5   9.775   8.627   5.060
   37   2HG2  ILE   5          2HG2      ILE   5  10.370   8.634   6.721
   38   3HG2  ILE   5          3HG2      ILE   5  10.491  10.091   5.736
   39   1HD1  ILE   5          1HD1      ILE   5  13.104   7.369   7.454
   40   2HD1  ILE   5          2HD1      ILE   5  11.352   7.196   7.579
   41   3HD1  ILE   5          3HD1      ILE   5  12.357   5.785   7.248
   42    H    GLU   6           HN       GLU   6  13.023  11.145   3.597
   43    HA   GLU   6           HA       GLU   6  10.780  12.750   3.739
   44   1HB   GLU   6          2HB       GLU   6  13.358  13.336   2.283
   45   2HB   GLU   6          3HB       GLU   6  12.145  14.533   2.713
   46   1HG   GLU   6          2HG       GLU   6  12.493  13.987   5.088
   47   2HG   GLU   6          3HG       GLU   6  13.776  12.871   4.615
   48    H    LYS   7           HN       LYS   7  12.430  11.687   0.722
   49    HA   LYS   7           HA       LYS   7  10.461  12.887  -0.950
   50   1HB   LYS   7          2HB       LYS   7  11.433  11.679  -2.787
   51   2HB   LYS   7          3HB       LYS   7  12.722  12.278  -1.759
   52   1HG   LYS   7          2HG       LYS   7  13.163  10.150  -0.877
   53   2HG   LYS   7          3HG       LYS   7  11.666   9.498  -1.544
   54   1HD   LYS   7          2HD       LYS   7  14.014  10.487  -3.164
   55   2HD   LYS   7          3HD       LYS   7  13.650   8.793  -2.828
   56   1HE   LYS   7          2HE       LYS   7  11.476   9.064  -3.962
   57   2HE   LYS   7          3HE       LYS   7  11.900  10.732  -4.340
   58   1HZ   LYS   7          1HZ       LYS   7  13.527  10.061  -5.833
   59   2HZ   LYS   7          2HZ       LYS   7  12.279   8.953  -6.111
   60   3HZ   LYS   7          3HZ       LYS   7  13.623   8.492  -5.193
   61    H    ILE   8           HN       ILE   8  10.941   9.729   0.418
   62    HA   ILE   8           HA       ILE   8   8.981   8.303  -0.929
   63    HB   ILE   8           HB       ILE   8   9.981   7.946   1.890
   64   1HG1  ILE   8          2HG1      ILE   8  10.703   6.567  -0.710
   65   2HG1  ILE   8          3HG1      ILE   8  11.688   7.768   0.118
   66   1HG2  ILE   8          1HG2      ILE   8   7.941   6.507   0.338
   67   2HG2  ILE   8          2HG2      ILE   8   9.143   5.496   1.144
   68   3HG2  ILE   8          3HG2      ILE   8   8.171   6.631   2.084
   69   1HD1  ILE   8          1HD1      ILE   8  12.517   6.266   1.543
   70   2HD1  ILE   8          2HD1      ILE   8  10.952   5.489   1.787
   71   3HD1  ILE   8          3HD1      ILE   8  11.935   5.073   0.382
   72    H    GLN   9           HN       GLN   9   8.638  10.049   2.186
   73    HA   GLN   9           HA       GLN   9   5.923   9.409   2.479
   74   1HB   GLN   9          2HB       GLN   9   7.522  11.683   3.624
   75   2HB   GLN   9          3HB       GLN   9   5.818  11.452   3.989
   76   1HG   GLN   9          2HG       GLN   9   6.404   9.152   4.797
   77   2HG   GLN   9          3HG       GLN   9   8.099   9.605   4.622
   78   1HE2  GLN   9          1HE2      GLN   9   8.928   9.991   6.534
   79   2HE2  GLN   9          2HE2      GLN   9   8.175  10.883   7.820
   80    H    ARG  10           HN       ARG  10   7.464  12.142   0.840
   81    HA   ARG  10           HA       ARG  10   5.122  13.525   0.187
   82   1HB   ARG  10          2HB       ARG  10   7.865  13.641  -0.541
   83   2HB   ARG  10          3HB       ARG  10   6.891  13.686  -2.008
   84   1HG   ARG  10          2HG       ARG  10   7.254  15.923  -1.240
   85   2HG   ARG  10          3HG       ARG  10   5.559  15.492  -1.022
   86   1HD   ARG  10          2HD       ARG  10   6.393  16.689   0.921
   87   2HD   ARG  10          3HD       ARG  10   5.974  15.025   1.338
   88    HE   ARG  10           HE       ARG  10   8.655  15.064   0.638
   89   1HH1  ARG  10          2HH1      ARG  10   6.563  16.163   3.208
   90   2HH1  ARG  10          1HH1      ARG  10   7.859  16.398   4.346
   91   1HH2  ARG  10          2HH2      ARG  10  10.362  15.321   2.135
   92   2HH2  ARG  10          1HH2      ARG  10  10.030  15.902   3.740
   93    H    GLN  11           HN       GLN  11   6.733  10.753  -1.188
   94    HA   GLN  11           HA       GLN  11   5.167  10.513  -3.547
   95   1HB   GLN  11          2HB       GLN  11   7.349   9.473  -3.382
   96   2HB   GLN  11          3HB       GLN  11   6.819   8.495  -2.023
   97   1HG   GLN  11          2HG       GLN  11   5.250   7.321  -3.481
   98   2HG   GLN  11          3HG       GLN  11   5.794   8.297  -4.847
   99   1HE2  GLN  11          1HE2      GLN  11   6.143   5.404  -3.342
  100   2HE2  GLN  11          2HE2      GLN  11   7.701   4.956  -3.936
  101    H    ILE  12           HN       ILE  12   5.005   8.927  -0.368
  102    HA   ILE  12           HA       ILE  12   2.770   7.307  -1.018
  103    HB   ILE  12           HB       ILE  12   3.607   8.246   1.734
  104   1HG1  ILE  12          2HG1      ILE  12   4.535   5.867   0.112
  105   2HG1  ILE  12          3HG1      ILE  12   5.516   7.211   0.696
  106   1HG2  ILE  12          1HG2      ILE  12   1.468   7.298   1.898
  107   2HG2  ILE  12          2HG2      ILE  12   1.863   6.009   0.760
  108   3HG2  ILE  12          3HG2      ILE  12   2.581   6.010   2.370
  109   1HD1  ILE  12          1HD1      ILE  12   4.732   4.773   2.034
  110   2HD1  ILE  12          2HD1      ILE  12   6.037   5.906   2.395
  111   3HD1  ILE  12          3HD1      ILE  12   4.405   6.220   2.988
  112    H    ALA  13           HN       ALA  13   3.113  10.455   0.433
  113    HA   ALA  13           HA       ALA  13   0.444  10.803   1.228
  114   1HB   ALA  13          1HB       ALA  13   1.408  13.344   0.592
  115   2HB   ALA  13          2HB       ALA  13   1.437  12.552   2.168
  116   3HB   ALA  13          3HB       ALA  13   2.824  12.416   1.086
  117    H    GLU  14           HN       GLU  14   2.065  11.463  -1.852
  118    HA   GLU  14           HA       GLU  14  -0.038  13.010  -2.895
  119   1HB   GLU  14          2HB       GLU  14   1.064  12.875  -5.045
  120   2HB   GLU  14          3HB       GLU  14   2.221  13.202  -3.765
  121   1HG   GLU  14          2HG       GLU  14   2.951  10.911  -3.792
  122   2HG   GLU  14          3HG       GLU  14   1.724  10.517  -4.995
  123    H    ASN  15           HN       ASN  15   0.590   9.493  -3.182
  124    HA   ASN  15           HA       ASN  15  -1.534   9.212  -5.099
  125   1HB   ASN  15          2HB       ASN  15  -1.226   6.706  -4.394
  126   2HB   ASN  15          3HB       ASN  15  -0.056   7.485  -5.419
  127   1HD2  ASN  15          1HD2      ASN  15   1.943   7.150  -4.904
  128   2HD2  ASN  15          2HD2      ASN  15   2.532   6.838  -3.308
  129    HA   PRO  16           HA       PRO  16  -4.991   9.183  -2.435
  130   1HB   PRO  16          2HB       PRO  16  -6.146   7.405  -4.507
  131   2HB   PRO  16          3HB       PRO  16  -6.732   8.965  -3.917
  132   1HG   PRO  16          2HG       PRO  16  -5.636   8.744  -6.332
  133   2HG   PRO  16          3HG       PRO  16  -5.317  10.163  -5.316
  134   1HD   PRO  16          2HD       PRO  16  -3.594   7.769  -5.822
  135   2HD   PRO  16          3HD       PRO  16  -3.143   9.482  -5.729
  136    H    ILE  17           HN       ILE  17  -4.045   6.198  -4.039
  137    HA   ILE  17           HA       ILE  17  -4.534   4.716  -1.546
  138    HB   ILE  17           HB       ILE  17  -5.329   3.697  -4.286
  139   1HG1  ILE  17          2HG1      ILE  17  -6.780   5.624  -3.711
  140   2HG1  ILE  17          3HG1      ILE  17  -7.671   4.101  -3.744
  141   1HG2  ILE  17          1HG2      ILE  17  -5.812   2.702  -1.492
  142   2HG2  ILE  17          2HG2      ILE  17  -6.660   2.076  -2.912
  143   3HG2  ILE  17          3HG2      ILE  17  -4.907   1.919  -2.789
  144   1HD1  ILE  17          1HD1      ILE  17  -7.275   6.033  -1.601
  145   2HD1  ILE  17          2HD1      ILE  17  -8.491   4.757  -1.773
  146   3HD1  ILE  17          3HD1      ILE  17  -6.906   4.374  -1.097
  147    H    LEU  18           HN       LEU  18  -2.649   3.710  -1.086
  148    HA   LEU  18           HA       LEU  18  -0.892   2.963  -3.314
  149   1HB   LEU  18          2HB       LEU  18  -0.269   5.074  -2.141
  150   2HB   LEU  18          3HB       LEU  18  -0.044   4.140  -0.677
  151    HG   LEU  18           HG       LEU  18   1.772   2.887  -1.737
  152   1HD1  LEU  18          1HD1      LEU  18   2.606   3.570  -3.936
  153   2HD1  LEU  18          2HD1      LEU  18   0.960   2.944  -4.039
  154   3HD1  LEU  18          3HD1      LEU  18   1.249   4.682  -4.106
  155   1HD2  LEU  18          1HD2      LEU  18   2.503   4.779  -0.549
  156   2HD2  LEU  18          2HD2      LEU  18   3.298   4.911  -2.118
  157   3HD2  LEU  18          3HD2      LEU  18   1.874   5.895  -1.765
  158    H    LEU  19           HN       LEU  19   0.311   1.180  -3.125
  159    HA   LEU  19           HA       LEU  19   0.077  -0.487  -0.721
  160   1HB   LEU  19          2HB       LEU  19  -1.577  -1.412  -2.077
  161   2HB   LEU  19          3HB       LEU  19  -0.687  -1.088  -3.550
  162    HG   LEU  19           HG       LEU  19   0.890  -2.884  -2.994
  163   1HD1  LEU  19          1HD1      LEU  19   0.808  -2.993  -0.615
  164   2HD1  LEU  19          2HD1      LEU  19  -0.937  -3.259  -0.617
  165   3HD1  LEU  19          3HD1      LEU  19   0.148  -4.519  -1.206
  166   1HD2  LEU  19          1HD2      LEU  19  -1.103  -3.247  -4.389
  167   2HD2  LEU  19          2HD2      LEU  19  -0.578  -4.700  -3.534
  168   3HD2  LEU  19          3HD2      LEU  19  -1.980  -3.797  -2.958
  169    H    TYR  20           HN       TYR  20   2.071  -1.162  -0.096
  170    HA   TYR  20           HA       TYR  20   4.195  -1.111  -2.120
  171   1HB   TYR  20          2HB       TYR  20   4.209  -0.976   0.872
  172   2HB   TYR  20          3HB       TYR  20   5.660  -1.479   0.003
  173    HD1  TYR  20           1HD      TYR  20   7.207   0.175  -0.221
  174    HD2  TYR  20           2HD      TYR  20   3.093   1.239  -0.418
  175    HE1  TYR  20           1HE      TYR  20   7.840   2.510  -0.624
  176    HE2  TYR  20           2HE      TYR  20   3.725   3.573  -0.818
  177    HH   TYR  20           HH       TYR  20   6.116   4.990  -0.159
  178    H    MET  21           HN       MET  21   4.795  -2.954  -3.045
  179    HA   MET  21           HA       MET  21   4.984  -5.350  -1.431
  180   1HB   MET  21          2HB       MET  21   3.823  -6.682  -3.231
  181   2HB   MET  21          3HB       MET  21   2.795  -5.681  -2.224
  182   1HG   MET  21          2HG       MET  21   2.793  -3.982  -4.025
  183   2HG   MET  21          3HG       MET  21   3.690  -5.116  -5.041
  184   1HE   MET  21          1HE       MET  21   0.922  -5.581  -7.047
  185   2HE   MET  21          2HE       MET  21   0.106  -4.353  -6.075
  186   3HE   MET  21          3HE       MET  21   1.826  -4.193  -6.437
  187    H    LYS  22           HN       LYS  22   5.573  -7.210  -3.496
  188    HA   LYS  22           HA       LYS  22   8.182  -6.140  -4.310
  189   1HB   LYS  22          2HB       LYS  22   8.038  -8.261  -2.969
  190   2HB   LYS  22          3HB       LYS  22   7.239  -9.013  -4.341
  191   1HG   LYS  22          2HG       LYS  22   9.202  -8.790  -5.696
  192   2HG   LYS  22          3HG       LYS  22  10.007  -7.825  -4.456
  193   1HD   LYS  22          2HD       LYS  22   9.816  -9.797  -2.922
  194   2HD   LYS  22          3HD       LYS  22   9.220 -10.732  -4.291
  195   1HE   LYS  22          2HE       LYS  22  11.903  -9.363  -4.152
  196   2HE   LYS  22          3HE       LYS  22  11.622 -11.076  -3.859
  197   1HZ   LYS  22          1HZ       LYS  22  11.679 -11.479  -6.018
  198   2HZ   LYS  22          2HZ       LYS  22  12.161  -9.874  -6.273
  199   3HZ   LYS  22          3HZ       LYS  22  10.520 -10.290  -6.350
  200    H    GLY  23           HN       GLY  23   8.505  -5.548  -6.346
  201   1HA   GLY  23          1HA       GLY  23   6.471  -6.294  -8.311
  202   2HA   GLY  23          2HA       GLY  23   7.656  -5.001  -8.481
  203    H    SER  24           HN       SER  24   7.456  -8.561  -8.299
  204    HA   SER  24           HA       SER  24   9.884  -8.844  -9.848
  205   1HB   SER  24          2HB       SER  24   7.872 -10.863  -8.856
  206   2HB   SER  24          3HB       SER  24   9.346 -11.280  -9.734
  207    HG   SER  24           HG       SER  24  10.568 -10.504  -8.087
  208    HA   PRO  25           HA       PRO  25   8.154  -8.763 -13.913
  209   1HB   PRO  25          2HB       PRO  25   9.800 -11.158 -14.516
  210   2HB   PRO  25          3HB       PRO  25   9.784  -9.579 -15.307
  211   1HG   PRO  25          2HG       PRO  25  11.802 -10.300 -13.714
  212   2HG   PRO  25          3HG       PRO  25  11.203  -8.630 -13.741
  213   1HD   PRO  25          2HD       PRO  25  10.726 -10.785 -11.720
  214   2HD   PRO  25          3HD       PRO  25  10.984  -9.045 -11.476
  215    H    LYS  26           HN       LYS  26   8.555 -11.958 -12.433
  216    HA   LYS  26           HA       LYS  26   6.498 -13.243 -13.903
  217   1HB   LYS  26          2HB       LYS  26   6.666 -15.018 -12.191
  218   2HB   LYS  26          3HB       LYS  26   8.222 -14.568 -12.867
  219   1HG   LYS  26          2HG       LYS  26   8.729 -13.263 -10.883
  220   2HG   LYS  26          3HG       LYS  26   7.146 -13.656 -10.206
  221   1HD   LYS  26          2HD       LYS  26   7.735 -16.025 -10.188
  222   2HD   LYS  26          3HD       LYS  26   9.305 -15.648 -10.902
  223   1HE   LYS  26          2HE       LYS  26   9.905 -14.348  -8.941
  224   2HE   LYS  26          3HE       LYS  26   8.319 -14.642  -8.236
  225   1HZ   LYS  26          1HZ       LYS  26   8.806 -16.916  -7.961
  226   2HZ   LYS  26          2HZ       LYS  26  10.173 -16.085  -7.405
  227   3HZ   LYS  26          3HZ       LYS  26  10.198 -16.830  -8.929
  228    H    LEU  27           HN       LEU  27   6.515 -11.338 -10.971
  229    HA   LEU  27           HA       LEU  27   3.624 -11.198 -10.972
  230   1HB   LEU  27          2HB       LEU  27   4.145 -13.303  -9.724
  231   2HB   LEU  27          3HB       LEU  27   5.114 -12.345  -8.612
  232    HG   LEU  27           HG       LEU  27   3.087 -11.111  -7.926
  233   1HD1  LEU  27          1HD1      LEU  27   0.906 -11.769  -8.622
  234   2HD1  LEU  27          2HD1      LEU  27   1.861 -11.467 -10.075
  235   3HD1  LEU  27          3HD1      LEU  27   1.548 -13.124  -9.552
  236   1HD2  LEU  27          1HD2      LEU  27   2.810 -14.103  -7.695
  237   2HD2  LEU  27          2HD2      LEU  27   3.850 -13.092  -6.691
  238   3HD2  LEU  27          3HD2      LEU  27   2.098 -12.897  -6.624
  239    HA   PRO  28           HA       PRO  28   5.150  -7.272  -9.374
  240   1HB   PRO  28          2HB       PRO  28   2.392  -6.380  -9.381
  241   2HB   PRO  28          3HB       PRO  28   3.722  -5.866 -10.417
  242   1HG   PRO  28          2HG       PRO  28   1.587  -7.298 -11.309
  243   2HG   PRO  28          3HG       PRO  28   3.194  -7.366 -12.051
  244   1HD   PRO  28          2HD       PRO  28   1.896  -9.282 -10.157
  245   2HD   PRO  28          3HD       PRO  28   2.910  -9.594 -11.576
  246    H    SER  29           HN       SER  29   4.292  -9.547  -7.625
  247    HA   SER  29           HA       SER  29   4.287  -8.067  -5.224
  248   1HB   SER  29          2HB       SER  29   1.848  -8.012  -5.889
  249   2HB   SER  29          3HB       SER  29   1.829  -9.746  -5.596
  250    HG   SER  29           HG       SER  29   1.706  -7.724  -3.839
  251    H    CYS  30           HN       CYS  30   6.033  -9.859  -6.202
  252    HA   CYS  30           HA       CYS  30   5.538 -12.555  -5.541
  253   1HB   CYS  30          2HB       CYS  30   7.191 -11.728  -7.213
  254   2HB   CYS  30          3HB       CYS  30   8.198 -11.213  -5.867
  255    HG   CYS  30           HG       CYS  30   8.550 -13.825  -4.867
  256    H    GLY  31           HN       GLY  31   4.769 -11.594  -3.277
  257   1HA   GLY  31          1HA       GLY  31   6.633 -12.692  -1.358
  258   2HA   GLY  31          2HA       GLY  31   6.347 -10.967  -1.158
  259    H    PHE  32           HN       PHE  32   5.109 -10.873   0.682
  260    HA   PHE  32           HA       PHE  32   3.003 -12.797   1.114
  261   1HB   PHE  32          2HB       PHE  32   3.668 -10.268   2.616
  262   2HB   PHE  32          3HB       PHE  32   2.313 -11.308   3.018
  263    HD1  PHE  32           1HD      PHE  32   2.570 -12.871   4.599
  264    HD2  PHE  32           2HD      PHE  32   6.005 -11.523   2.484
  265    HE1  PHE  32           1HE      PHE  32   4.010 -14.206   6.093
  266    HE2  PHE  32           2HE      PHE  32   7.453 -12.864   3.961
  267    HZ   PHE  32           HZ       PHE  32   6.452 -14.205   5.770
  268    H    SER  33           HN       SER  33   3.213  -9.470   0.033
  269    HA   SER  33           HA       SER  33   0.564  -8.763   0.190
  270   1HB   SER  33          2HB       SER  33   2.361  -7.188  -0.333
  271   2HB   SER  33          3HB       SER  33   2.524  -7.909  -1.934
  272    HG   SER  33           HG       SER  33   0.176  -7.349  -2.119
  273    H    ALA  34           HN       ALA  34   1.804 -11.228  -1.722
  274    HA   ALA  34           HA       ALA  34   0.301 -11.196  -4.050
  275   1HB   ALA  34          1HB       ALA  34   1.666 -13.218  -2.442
  276   2HB   ALA  34          2HB       ALA  34   0.289 -13.843  -3.350
  277   3HB   ALA  34          3HB       ALA  34   1.600 -13.015  -4.193
  278    H    GLN  35           HN       GLN  35  -0.659 -12.212  -0.758
  279    HA   GLN  35           HA       GLN  35  -3.305 -12.873  -1.725
  280   1HB   GLN  35          2HB       GLN  35  -3.794 -13.777   0.323
  281   2HB   GLN  35          3HB       GLN  35  -2.044 -13.923   0.350
  282   1HG   GLN  35          2HG       GLN  35  -3.488 -11.627   1.619
  283   2HG   GLN  35          3HG       GLN  35  -3.165 -13.141   2.456
  284   1HE2  GLN  35          1HE2      GLN  35  -2.085 -10.105   1.858
  285   2HE2  GLN  35          2HE2      GLN  35  -0.431 -10.303   2.325
  286    H    ALA  36           HN       ALA  36  -1.693 -10.218  -0.127
  287    HA   ALA  36           HA       ALA  36  -3.918  -8.738   0.719
  288   1HB   ALA  36          1HB       ALA  36  -1.201  -7.696  -0.073
  289   2HB   ALA  36          2HB       ALA  36  -2.384  -6.884   0.957
  290   3HB   ALA  36          3HB       ALA  36  -1.616  -8.376   1.502
  291    H    VAL  37           HN       VAL  37  -2.068  -8.585  -2.274
  292    HA   VAL  37           HA       VAL  37  -3.199  -6.313  -3.396
  293    HB   VAL  37           HB       VAL  37  -1.215  -7.447  -4.301
  294   1HG1  VAL  37          1HG1      VAL  37  -1.324  -9.664  -4.463
  295   2HG1  VAL  37          2HG1      VAL  37  -3.081  -9.666  -4.640
  296   3HG1  VAL  37          3HG1      VAL  37  -2.053  -9.356  -6.040
  297   1HG2  VAL  37          1HG2      VAL  37  -1.526  -6.795  -6.481
  298   2HG2  VAL  37          2HG2      VAL  37  -3.151  -7.484  -6.566
  299   3HG2  VAL  37          3HG2      VAL  37  -2.876  -5.972  -5.695
  300    H    GLN  38           HN       GLN  38  -4.339  -9.614  -3.318
  301    HA   GLN  38           HA       GLN  38  -6.458  -9.333  -5.163
  302   1HB   GLN  38          2HB       GLN  38  -6.487 -11.230  -2.825
  303   2HB   GLN  38          3HB       GLN  38  -7.195 -11.453  -4.418
  304   1HG   GLN  38          2HG       GLN  38  -4.263 -11.469  -3.723
  305   2HG   GLN  38          3HG       GLN  38  -5.259 -12.859  -4.146
  306   1HE2  GLN  38          1HE2      GLN  38  -6.401 -10.616  -6.180
  307   2HE2  GLN  38          2HE2      GLN  38  -5.315 -10.801  -7.509
  308    H    ALA  39           HN       ALA  39  -6.248  -9.018  -1.645
  309    HA   ALA  39           HA       ALA  39  -8.944  -8.615  -1.044
  310   1HB   ALA  39          1HB       ALA  39  -6.512  -8.520   0.347
  311   2HB   ALA  39          2HB       ALA  39  -7.280  -6.954   0.610
  312   3HB   ALA  39          3HB       ALA  39  -8.141  -8.437   1.021
  313    H    LEU  40           HN       LEU  40  -6.441  -6.261  -1.915
  314    HA   LEU  40           HA       LEU  40  -7.946  -3.927  -1.559
  315   1HB   LEU  40          2HB       LEU  40  -5.447  -4.698  -2.711
  316   2HB   LEU  40          3HB       LEU  40  -6.241  -3.529  -3.740
  317    HG   LEU  40           HG       LEU  40  -5.545  -3.151  -0.828
  318   1HD1  LEU  40          1HD1      LEU  40  -4.464  -1.206  -2.643
  319   2HD1  LEU  40          2HD1      LEU  40  -3.625  -2.283  -1.525
  320   3HD1  LEU  40          3HD1      LEU  40  -4.008  -2.831  -3.156
  321   1HD2  LEU  40          1HD2      LEU  40  -7.374  -1.733  -2.633
  322   2HD2  LEU  40          2HD2      LEU  40  -7.304  -1.751  -0.870
  323   3HD2  LEU  40          3HD2      LEU  40  -6.224  -0.697  -1.783
  324    H    ALA  41           HN       ALA  41  -7.141  -5.532  -4.613
  325    HA   ALA  41           HA       ALA  41  -8.730  -3.961  -6.268
  326   1HB   ALA  41          1HB       ALA  41  -6.905  -5.843  -6.737
  327   2HB   ALA  41          2HB       ALA  41  -8.357  -6.807  -7.008
  328   3HB   ALA  41          3HB       ALA  41  -8.080  -5.344  -7.954
  329    H    ALA  42           HN       ALA  42  -9.445  -6.674  -4.282
  330    HA   ALA  42           HA       ALA  42 -11.986  -7.299  -5.455
  331   1HB   ALA  42          1HB       ALA  42 -11.400  -8.005  -2.624
  332   2HB   ALA  42          2HB       ALA  42 -12.167  -8.958  -3.895
  333   3HB   ALA  42          3HB       ALA  42 -10.419  -8.730  -3.901
  334    H    CYS  43           HN       CYS  43 -11.013  -5.594  -2.500
  335    HA   CYS  43           HA       CYS  43 -13.683  -5.140  -1.718
  336   1HB   CYS  43          2HB       CYS  43 -12.708  -3.812   0.094
  337   2HB   CYS  43          3HB       CYS  43 -11.908  -5.356  -0.093
  338    HG   CYS  43           HG       CYS  43  -9.601  -4.405  -1.152
  339    H    GLY  44           HN       GLY  44 -11.189  -2.790  -2.770
  340   1HA   GLY  44          1HA       GLY  44 -13.357  -0.862  -3.230
  341   2HA   GLY  44          2HA       GLY  44 -11.656  -0.469  -3.044
  342    H    GLU  45           HN       GLU  45 -11.361   0.668  -4.832
  343    HA   GLU  45           HA       GLU  45 -11.893  -0.592  -7.426
  344   1HB   GLU  45          2HB       GLU  45 -11.232   2.263  -6.722
  345   2HB   GLU  45          3HB       GLU  45 -11.237   1.658  -8.368
  346   1HG   GLU  45          2HG       GLU  45 -13.640   1.040  -8.032
  347   2HG   GLU  45          3HG       GLU  45 -13.568   1.905  -6.493
  348    H    ARG  46           HN       ARG  46  -9.971   1.159  -8.641
  349    HA   ARG  46           HA       ARG  46  -7.634  -0.456  -8.503
  350   1HB   ARG  46          2HB       ARG  46  -6.760   1.560  -9.987
  351   2HB   ARG  46          3HB       ARG  46  -7.763   0.270 -10.632
  352   1HG   ARG  46          2HG       ARG  46  -8.488   2.475 -11.362
  353   2HG   ARG  46          3HG       ARG  46  -9.719   1.635 -10.424
  354   1HD   ARG  46          2HD       ARG  46  -9.044   2.941  -8.442
  355   2HD   ARG  46          3HD       ARG  46  -7.907   3.836  -9.451
  356    HE   ARG  46           HE       ARG  46 -10.726   4.258  -9.266
  357   1HH1  ARG  46          2HH1      ARG  46  -7.984   4.483 -11.455
  358   2HH1  ARG  46          1HH1      ARG  46  -8.824   5.500 -12.598
  359   1HH2  ARG  46          2HH2      ARG  46 -11.804   5.627 -10.742
  360   2HH2  ARG  46          1HH2      ARG  46 -10.984   6.171 -12.175
  361    H    PHE  47           HN       PHE  47  -5.535   0.347  -8.130
  362    HA   PHE  47           HA       PHE  47  -5.294   2.494  -6.166
  363   1HB   PHE  47          2HB       PHE  47  -4.384   0.961  -4.483
  364   2HB   PHE  47          3HB       PHE  47  -6.015   0.484  -4.922
  365    HD1  PHE  47           1HD      PHE  47  -2.438  -0.303  -5.669
  366    HD2  PHE  47           2HD      PHE  47  -6.466  -1.697  -5.516
  367    HE1  PHE  47           1HE      PHE  47  -1.665  -2.592  -6.140
  368    HE2  PHE  47           2HE      PHE  47  -5.692  -3.982  -5.989
  369    HZ   PHE  47           HZ       PHE  47  -3.293  -4.433  -6.307
  370    H    ALA  48           HN       ALA  48  -3.013   2.847  -5.578
  371    HA   ALA  48           HA       ALA  48  -1.220   2.153  -7.792
  372   1HB   ALA  48          1HB       ALA  48  -1.172   4.474  -7.532
  373   2HB   ALA  48          2HB       ALA  48  -1.167   4.369  -5.771
  374   3HB   ALA  48          3HB       ALA  48   0.272   3.916  -6.685
  375    H    TYR  49           HN       TYR  49   0.861   1.309  -7.342
  376    HA   TYR  49           HA       TYR  49   1.211   0.212  -4.637
  377   1HB   TYR  49          2HB       TYR  49   1.346  -1.997  -5.356
  378   2HB   TYR  49          3HB       TYR  49   0.050  -1.382  -6.374
  379    HD1  TYR  49           1HD      TYR  49   0.263  -1.455  -8.741
  380    HD2  TYR  49           2HD      TYR  49   3.628  -2.182  -6.255
  381    HE1  TYR  49           1HE      TYR  49   1.522  -2.274 -10.693
  382    HE2  TYR  49           2HE      TYR  49   4.917  -2.966  -8.184
  383    HH   TYR  49           HH       TYR  49   4.800  -2.597 -10.778
  384    H    VAL  50           HN       VAL  50   3.422  -0.344  -4.199
  385    HA   VAL  50           HA       VAL  50   5.364   0.660  -6.171
  386    HB   VAL  50           HB       VAL  50   5.529   1.103  -3.169
  387   1HG1  VAL  50          1HG1      VAL  50   7.659   0.827  -4.628
  388   2HG1  VAL  50          2HG1      VAL  50   7.266   2.452  -5.190
  389   3HG1  VAL  50          3HG1      VAL  50   7.555   2.157  -3.476
  390   1HG2  VAL  50          1HG2      VAL  50   5.245   3.305  -5.174
  391   2HG2  VAL  50          2HG2      VAL  50   3.824   2.464  -4.555
  392   3HG2  VAL  50          3HG2      VAL  50   4.900   3.307  -3.443
  393    H    ASP  51           HN       ASP  51   7.038  -0.623  -6.522
  394    HA   ASP  51           HA       ASP  51   7.214  -3.123  -5.109
  395   1HB   ASP  51          2HB       ASP  51   9.167  -3.550  -6.625
  396   2HB   ASP  51          3HB       ASP  51   7.634  -3.284  -7.436
  397    H    ILE  52           HN       ILE  52   8.473  -3.594  -3.490
  398    HA   ILE  52           HA       ILE  52  10.708  -1.864  -2.804
  399    HB   ILE  52           HB       ILE  52   9.729  -2.125  -0.333
  400   1HG1  ILE  52          2HG1      ILE  52   7.308  -1.392  -0.499
  401   2HG1  ILE  52          3HG1      ILE  52   7.365  -1.940  -2.172
  402   1HG2  ILE  52          1HG2      ILE  52   8.584   0.216  -1.527
  403   2HG2  ILE  52          2HG2      ILE  52   9.944   0.056  -0.413
  404   3HG2  ILE  52          3HG2      ILE  52  10.206  -0.096  -2.154
  405   1HD1  ILE  52          1HD1      ILE  52   8.331  -3.934  -0.312
  406   2HD1  ILE  52          2HD1      ILE  52   6.668  -3.438   0.004
  407   3HD1  ILE  52          3HD1      ILE  52   7.117  -4.056  -1.586
  408    H    LEU  53           HN       LEU  53   9.010  -4.916  -2.236
  409    HA   LEU  53           HA       LEU  53  11.241  -6.050  -0.809
  410   1HB   LEU  53          2HB       LEU  53   9.136  -7.510  -2.420
  411   2HB   LEU  53          3HB       LEU  53  10.334  -8.260  -1.396
  412    HG   LEU  53           HG       LEU  53   8.599  -8.354   0.026
  413   1HD1  LEU  53          1HD1      LEU  53   8.531  -6.434   1.579
  414   2HD1  LEU  53          2HD1      LEU  53  10.158  -7.002   1.200
  415   3HD1  LEU  53          3HD1      LEU  53   9.535  -5.538   0.437
  416   1HD2  LEU  53          1HD2      LEU  53   6.900  -7.571  -1.457
  417   2HD2  LEU  53          2HD2      LEU  53   6.716  -6.732   0.086
  418   3HD2  LEU  53          3HD2      LEU  53   7.451  -5.903  -1.284
  419    H    GLN  54           HN       GLN  54  10.743  -4.916  -3.858
  420    HA   GLN  54           HA       GLN  54  12.700  -6.644  -5.154
  421   1HB   GLN  54          2HB       GLN  54  10.587  -6.194  -6.335
  422   2HB   GLN  54          3HB       GLN  54  10.913  -4.472  -6.283
  423   1HG   GLN  54          2HG       GLN  54  12.850  -6.301  -7.621
  424   2HG   GLN  54          3HG       GLN  54  11.363  -5.849  -8.443
  425   1HE2  GLN  54          1HE2      GLN  54  11.787  -3.226  -6.746
  426   2HE2  GLN  54          2HE2      GLN  54  12.835  -2.305  -7.756
  427    H    ASN  55           HN       ASN  55  12.191  -3.187  -4.322
  428    HA   ASN  55           HA       ASN  55  14.924  -2.521  -5.111
  429   1HB   ASN  55          2HB       ASN  55  12.788  -0.841  -3.771
  430   2HB   ASN  55          3HB       ASN  55  14.380  -0.252  -4.222
  431   1HD2  ASN  55          1HD2      ASN  55  11.293  -0.147  -5.105
  432   2HD2  ASN  55          2HD2      ASN  55  11.463   0.021  -6.821
  433    HA   PRO  56           HA       PRO  56  16.381  -3.997  -1.144
  434   1HB   PRO  56          2HB       PRO  56  18.816  -2.603  -2.134
  435   2HB   PRO  56          3HB       PRO  56  18.649  -4.237  -1.478
  436   1HG   PRO  56          2HG       PRO  56  18.960  -3.889  -4.071
  437   2HG   PRO  56          3HG       PRO  56  17.760  -5.057  -3.478
  438   1HD   PRO  56          2HD       PRO  56  17.336  -2.274  -4.513
  439   2HD   PRO  56          3HD       PRO  56  16.421  -3.752  -4.835
  440    H    ASP  57           HN       ASP  57  17.304  -0.749  -2.287
  441    HA   ASP  57           HA       ASP  57  17.965   0.218   0.278
  442   1HB   ASP  57          2HB       ASP  57  17.220   1.754  -2.218
  443   2HB   ASP  57          3HB       ASP  57  17.913   2.473  -0.769
  444    H    ILE  58           HN       ILE  58  15.129   0.884  -1.736
  445    HA   ILE  58           HA       ILE  58  13.783   2.486   0.120
  446    HB   ILE  58           HB       ILE  58  12.486   0.742  -1.986
  447   1HG1  ILE  58          2HG1      ILE  58  13.637   3.533  -2.253
  448   2HG1  ILE  58          3HG1      ILE  58  14.321   2.073  -2.962
  449   1HG2  ILE  58          1HG2      ILE  58  10.603   1.970  -1.725
  450   2HG2  ILE  58          2HG2      ILE  58  11.254   2.204  -0.101
  451   3HG2  ILE  58          3HG2      ILE  58  11.489   3.446  -1.333
  452   1HD1  ILE  58          1HD1      ILE  58  13.092   3.388  -4.602
  453   2HD1  ILE  58          2HD1      ILE  58  12.346   1.808  -4.353
  454   3HD1  ILE  58          3HD1      ILE  58  11.630   3.246  -3.625
  455    H    ARG  59           HN       ARG  59  13.768  -0.978  -0.436
  456    HA   ARG  59           HA       ARG  59  11.674  -1.871   1.096
  457   1HB   ARG  59          2HB       ARG  59  13.002  -3.314  -0.313
  458   2HB   ARG  59          3HB       ARG  59  14.413  -3.072   0.699
  459   1HG   ARG  59          2HG       ARG  59  13.418  -4.316   2.488
  460   2HG   ARG  59          3HG       ARG  59  11.889  -4.430   1.610
  461   1HD   ARG  59          2HD       ARG  59  12.908  -5.781  -0.099
  462   2HD   ARG  59          3HD       ARG  59  14.506  -5.548   0.607
  463    HE   ARG  59           HE       ARG  59  12.561  -7.480   1.374
  464   1HH1  ARG  59          2HH1      ARG  59  15.252  -5.557   2.517
  465   2HH1  ARG  59          1HH1      ARG  59  15.465  -6.488   3.972
  466   1HH2  ARG  59          2HH2      ARG  59  12.863  -8.732   3.272
  467   2HH2  ARG  59          1HH2      ARG  59  14.119  -8.287   4.395
  468    H    ALA  60           HN       ALA  60  14.841  -0.811   2.199
  469    HA   ALA  60           HA       ALA  60  14.376  -1.794   4.861
  470   1HB   ALA  60          1HB       ALA  60  16.642  -0.074   4.747
  471   2HB   ALA  60          2HB       ALA  60  16.581  -1.827   4.928
  472   3HB   ALA  60          3HB       ALA  60  16.626  -1.108   3.318
  473    H    GLU  61           HN       GLU  61  14.541   1.395   3.371
  474    HA   GLU  61           HA       GLU  61  14.789   2.708   5.824
  475   1HB   GLU  61          2HB       GLU  61  14.145   3.882   3.127
  476   2HB   GLU  61          3HB       GLU  61  14.683   4.790   4.534
  477   1HG   GLU  61          2HG       GLU  61  16.765   3.434   4.529
  478   2HG   GLU  61          3HG       GLU  61  16.227   2.706   3.016
  479    H    LEU  62           HN       LEU  62  12.023   3.132   3.524
  480    HA   LEU  62           HA       LEU  62  10.740   4.689   5.493
  481   1HB   LEU  62          2HB       LEU  62   8.950   5.114   4.050
  482   2HB   LEU  62          3HB       LEU  62  10.398   5.100   3.083
  483    HG   LEU  62           HG       LEU  62   8.643   4.133   1.809
  484   1HD1  LEU  62          1HD1      LEU  62  10.370   1.918   2.799
  485   2HD1  LEU  62          2HD1      LEU  62   9.485   1.973   1.271
  486   3HD1  LEU  62          3HD1      LEU  62  10.803   3.103   1.570
  487   1HD2  LEU  62          1HD2      LEU  62   7.217   2.400   2.465
  488   2HD2  LEU  62          2HD2      LEU  62   8.129   2.116   3.950
  489   3HD2  LEU  62          3HD2      LEU  62   7.207   3.607   3.752
  490    HA   PRO  63           HA       PRO  63   7.874   0.739   6.067
  491   1HB   PRO  63          2HB       PRO  63   9.496  -1.324   6.914
  492   2HB   PRO  63          3HB       PRO  63   8.795  -1.206   5.297
  493   1HG   PRO  63          2HG       PRO  63  11.523  -0.419   6.241
  494   2HG   PRO  63          3HG       PRO  63  11.057  -1.293   4.768
  495   1HD   PRO  63          2HD       PRO  63  11.648   1.287   4.654
  496   2HD   PRO  63          3HD       PRO  63  10.273   0.646   3.725
  497    H    LYS  64           HN       LYS  64  11.020   1.160   7.531
  498    HA   LYS  64           HA       LYS  64  10.468   0.619  10.187
  499   1HB   LYS  64          2HB       LYS  64  12.294   2.827   9.260
  500   2HB   LYS  64          3HB       LYS  64  12.447   1.828  10.699
  501   1HG   LYS  64          2HG       LYS  64  12.836  -0.136   9.172
  502   2HG   LYS  64          3HG       LYS  64  12.881   1.012   7.842
  503   1HD   LYS  64          2HD       LYS  64  14.680   1.095  10.249
  504   2HD   LYS  64          3HD       LYS  64  15.131   0.463   8.665
  505   1HE   LYS  64          2HE       LYS  64  14.742   2.657   7.672
  506   2HE   LYS  64          3HE       LYS  64  14.251   3.291   9.243
  507   1HZ   LYS  64          1HZ       LYS  64  16.641   2.335   9.858
  508   2HZ   LYS  64          2HZ       LYS  64  16.398   3.916   9.295
  509   3HZ   LYS  64          3HZ       LYS  64  16.914   2.705   8.222
  510    H    TYR  65           HN       TYR  65  10.044   3.550   8.280
  511    HA   TYR  65           HA       TYR  65   9.337   5.178  10.471
  512   1HB   TYR  65          2HB       TYR  65   9.376   6.884   8.998
  513   2HB   TYR  65          3HB       TYR  65  10.045   5.709   7.885
  514    HD1  TYR  65           1HD      TYR  65   6.593   6.749   8.981
  515    HD2  TYR  65           2HD      TYR  65   9.219   5.879   5.732
  516    HE1  TYR  65           1HE      TYR  65   4.808   7.298   7.397
  517    HE2  TYR  65           2HE      TYR  65   7.414   6.425   4.140
  518    HH   TYR  65           HH       TYR  65   4.192   7.384   5.277
  519    H    ALA  66           HN       ALA  66   7.381   3.249   8.157
  520    HA   ALA  66           HA       ALA  66   4.916   4.312   9.146
  521   1HB   ALA  66          1HB       ALA  66   4.121   3.273   7.372
  522   2HB   ALA  66          2HB       ALA  66   5.754   2.684   7.048
  523   3HB   ALA  66          3HB       ALA  66   4.635   1.703   7.997
  524    H    ASN  67           HN       ASN  67   6.340   1.049   9.494
  525    HA   ASN  67           HA       ASN  67   6.141   0.961  12.237
  526   1HB   ASN  67          2HB       ASN  67   3.692   0.851  11.952
  527   2HB   ASN  67          3HB       ASN  67   3.874  -0.592  10.957
  528   1HD2  ASN  67          1HD2      ASN  67   3.451  -2.386  11.999
  529   2HD2  ASN  67          2HD2      ASN  67   3.729  -2.690  13.677
  530    H    TRP  68           HN       TRP  68   5.533  -1.144   9.506
  531    HA   TRP  68           HA       TRP  68   6.710  -3.483  10.402
  532   1HB   TRP  68          2HB       TRP  68   6.123  -2.382   7.677
  533   2HB   TRP  68          3HB       TRP  68   6.986  -3.908   7.844
  534    HD1  TRP  68           1HD      TRP  68   5.467  -5.839   7.493
  535    HE1  TRP  68           1HE      TRP  68   3.012  -6.424   7.974
  536    HE3  TRP  68           3HE      TRP  68   3.996  -1.476   9.727
  537    HZ2  TRP  68           2HZ      TRP  68   0.759  -5.221   9.149
  538    HZ3  TRP  68           3HZ      TRP  68   1.670  -1.284  10.499
  539    HH2  TRP  68           2HH      TRP  68   0.086  -3.116  10.213
  540    HA   PRO  69           HA       PRO  69  11.144  -2.969   9.899
  541   1HB   PRO  69          2HB       PRO  69  11.185  -5.778   9.045
  542   2HB   PRO  69          3HB       PRO  69  11.955  -5.028  10.447
  543   1HG   PRO  69          2HG       PRO  69   9.851  -6.689  10.694
  544   2HG   PRO  69          3HG       PRO  69  10.099  -5.311  11.783
  545   1HD   PRO  69          2HD       PRO  69   8.240  -5.573   9.446
  546   2HD   PRO  69          3HD       PRO  69   7.957  -4.822  11.033
  547    H    THR  70           HN       THR  70   9.143  -4.676   7.585
  548    HA   THR  70           HA       THR  70  10.451  -3.328   5.348
  549    HB   THR  70           HB       THR  70  10.429  -5.468   4.032
  550    HG1  THR  70           1HG      THR  70  10.502  -7.410   5.465
  551   1HG2  THR  70          1HG2      THR  70  12.553  -4.745   4.765
  552   2HG2  THR  70          2HG2      THR  70  12.464  -6.445   5.232
  553   3HG2  THR  70          3HG2      THR  70  12.213  -5.183   6.441
  554    H    PHE  71           HN       PHE  71   8.638  -5.635   3.938
  555    HA   PHE  71           HA       PHE  71   6.049  -4.328   4.390
  556   1HB   PHE  71          2HB       PHE  71   7.249  -4.679   1.626
  557   2HB   PHE  71          3HB       PHE  71   5.697  -3.940   1.992
  558    HD1  PHE  71           1HD      PHE  71   5.574  -1.586   2.466
  559    HD2  PHE  71           2HD      PHE  71   9.342  -3.574   2.363
  560    HE1  PHE  71           1HE      PHE  71   6.749   0.613   2.542
  561    HE2  PHE  71           2HE      PHE  71  10.486  -1.414   2.442
  562    HZ   PHE  71           HZ       PHE  71   9.185   0.653   2.521
  563    HA   PRO  72           HA       PRO  72   4.571  -4.825   1.599
  564   1HB   PRO  72          2HB       PRO  72   2.022  -5.750   1.728
  565   2HB   PRO  72          3HB       PRO  72   3.209  -6.349   0.564
  566   1HG   PRO  72          2HG       PRO  72   2.373  -7.521   3.191
  567   2HG   PRO  72          3HG       PRO  72   2.608  -8.330   1.630
  568   1HD   PRO  72          2HD       PRO  72   4.475  -8.425   3.547
  569   2HD   PRO  72          3HD       PRO  72   4.912  -8.330   1.830
  570    H    GLN  73           HN       GLN  73   3.045  -3.177   1.979
  571    HA   GLN  73           HA       GLN  73   1.587  -3.099   4.481
  572   1HB   GLN  73          2HB       GLN  73   3.467  -0.822   3.848
  573   2HB   GLN  73          3HB       GLN  73   2.417  -0.985   5.236
  574   1HG   GLN  73          2HG       GLN  73   3.766  -2.874   6.025
  575   2HG   GLN  73          3HG       GLN  73   4.860  -2.629   4.661
  576   1HE2  GLN  73          1HE2      GLN  73   6.608  -1.545   5.172
  577   2HE2  GLN  73          2HE2      GLN  73   6.730  -0.312   6.375
  578    H    LEU  74           HN       LEU  74  -0.316  -2.192   4.079
  579    HA   LEU  74           HA       LEU  74  -0.772  -0.901   1.513
  580   1HB   LEU  74          2HB       LEU  74  -2.241  -2.708   2.219
  581   2HB   LEU  74          3HB       LEU  74  -2.652  -1.845   3.679
  582    HG   LEU  74           HG       LEU  74  -4.425  -1.876   1.888
  583   1HD1  LEU  74          1HD1      LEU  74  -5.210  -0.128   2.992
  584   2HD1  LEU  74          2HD1      LEU  74  -3.585   0.277   3.540
  585   3HD1  LEU  74          3HD1      LEU  74  -4.196   0.946   2.025
  586   1HD2  LEU  74          1HD2      LEU  74  -2.299  -1.076   0.270
  587   2HD2  LEU  74          2HD2      LEU  74  -4.000  -1.201  -0.178
  588   3HD2  LEU  74          3HD2      LEU  74  -3.350   0.334   0.398
  589    H    TRP  75           HN       TRP  75  -1.325   1.215   1.235
  590    HA   TRP  75           HA       TRP  75  -1.479   2.874   3.666
  591   1HB   TRP  75          2HB       TRP  75  -0.169   3.535   1.027
  592   2HB   TRP  75          3HB       TRP  75  -0.412   4.684   2.335
  593    HD1  TRP  75           1HD      TRP  75   1.524   1.366   1.714
  594    HE1  TRP  75           1HE      TRP  75   3.601   1.410   3.255
  595    HE3  TRP  75           3HE      TRP  75   0.556   5.677   4.217
  596    HZ2  TRP  75           2HZ      TRP  75   4.650   3.072   5.286
  597    HZ3  TRP  75           3HZ      TRP  75   2.128   6.435   5.951
  598    HH2  TRP  75           2HH      TRP  75   4.133   5.152   6.469
  599    H    VAL  76           HN       VAL  76  -3.168   4.164   3.835
  600    HA   VAL  76           HA       VAL  76  -4.909   4.582   1.481
  601    HB   VAL  76           HB       VAL  76  -5.689   4.482   4.416
  602   1HG1  VAL  76          1HG1      VAL  76  -7.255   5.899   3.575
  603   2HG1  VAL  76          2HG1      VAL  76  -7.179   5.208   1.956
  604   3HG1  VAL  76          3HG1      VAL  76  -8.029   4.346   3.240
  605   1HG2  VAL  76          1HG2      VAL  76  -5.117   2.314   3.036
  606   2HG2  VAL  76          2HG2      VAL  76  -6.481   2.366   4.152
  607   3HG2  VAL  76          3HG2      VAL  76  -6.752   2.560   2.420
  608    H    ASP  77           HN       ASP  77  -4.824   6.702   0.842
  609    HA   ASP  77           HA       ASP  77  -4.431   8.956   0.827
  610   1HB   ASP  77          2HB       ASP  77  -6.477   8.833   2.280
  611   2HB   ASP  77          3HB       ASP  77  -5.402   8.839   3.675
  612    H    GLY  78           HN       GLY  78  -2.340   7.333   1.317
  613   1HA   GLY  78          1HA       GLY  78  -0.130   7.376   1.905
  614   2HA   GLY  78          2HA       GLY  78  -0.358   9.072   2.283
  615    H    GLU  79           HN       GLU  79  -2.196   6.569   3.910
  616    HA   GLU  79           HA       GLU  79  -0.394   6.796   6.194
  617   1HB   GLU  79          2HB       GLU  79  -3.395   6.929   6.392
  618   2HB   GLU  79          3HB       GLU  79  -2.303   6.777   7.761
  619   1HG   GLU  79          2HG       GLU  79  -1.249   8.938   7.006
  620   2HG   GLU  79          3HG       GLU  79  -2.595   9.098   5.878
  621    H    LEU  80           HN       LEU  80   0.088   5.013   7.215
  622    HA   LEU  80           HA       LEU  80  -0.298   2.599   5.879
  623   1HB   LEU  80          2HB       LEU  80   1.701   3.049   7.132
  624   2HB   LEU  80          3HB       LEU  80   0.786   3.200   8.627
  625    HG   LEU  80           HG       LEU  80   0.143   0.791   8.377
  626   1HD1  LEU  80          1HD1      LEU  80   1.962   1.059   6.033
  627   2HD1  LEU  80          2HD1      LEU  80   1.857  -0.474   6.901
  628   3HD1  LEU  80          3HD1      LEU  80   0.411   0.227   6.169
  629   1HD2  LEU  80          1HD2      LEU  80   2.336   1.928   9.503
  630   2HD2  LEU  80          2HD2      LEU  80   1.878   0.235   9.679
  631   3HD2  LEU  80          3HD2      LEU  80   3.067   0.706   8.466
  632    H    VAL  81           HN       VAL  81  -1.521   0.893   6.148
  633    HA   VAL  81           HA       VAL  81  -3.377   0.826   8.425
  634    HB   VAL  81           HB       VAL  81  -3.831  -0.298   5.655
  635   1HG1  VAL  81          1HG1      VAL  81  -5.614  -1.481   6.398
  636   2HG1  VAL  81          2HG1      VAL  81  -4.736  -1.446   7.928
  637   3HG1  VAL  81          3HG1      VAL  81  -6.027  -0.285   7.626
  638   1HG2  VAL  81          1HG2      VAL  81  -4.567   1.783   5.266
  639   2HG2  VAL  81          2HG2      VAL  81  -5.959   1.315   6.243
  640   3HG2  VAL  81          3HG2      VAL  81  -4.614   2.186   6.982
  641    H    GLY  82           HN       GLY  82  -1.787  -1.252   6.021
  642   1HA   GLY  82          1HA       GLY  82  -0.113  -2.723   7.487
  643   2HA   GLY  82          2HA       GLY  82  -1.644  -3.483   7.892
  644    H    GLY  83           HN       GLY  83   0.879  -4.151   6.176
  645   1HA   GLY  83          1HA       GLY  83  -0.231  -4.348   3.543
  646   2HA   GLY  83          2HA       GLY  83   1.366  -4.856   4.037
  647    H    CYS  84           HN       CYS  84   1.171  -6.937   5.581
  648    HA   CYS  84           HA       CYS  84   0.103  -8.836   3.741
  649   1HB   CYS  84          2HB       CYS  84   1.140 -10.522   5.257
  650   2HB   CYS  84          3HB       CYS  84   2.246  -9.283   4.693
  651    HG   CYS  84           HG       CYS  84   1.892 -10.249   7.710
  652    H    ASP  85           HN       ASP  85  -0.306  -8.718   7.257
  653    HA   ASP  85           HA       ASP  85  -2.617 -10.411   7.159
  654   1HB   ASP  85          2HB       ASP  85  -0.838 -10.437   8.924
  655   2HB   ASP  85          3HB       ASP  85  -1.425  -8.873   9.475
  656    H    ILE  86           HN       ILE  86  -2.073  -7.098   8.220
  657    HA   ILE  86           HA       ILE  86  -4.544  -6.527   9.200
  658    HB   ILE  86           HB       ILE  86  -2.750  -4.592   7.738
  659   1HG1  ILE  86          2HG1      ILE  86  -1.574  -5.787   9.539
  660   2HG1  ILE  86          3HG1      ILE  86  -1.806  -4.089   9.940
  661   1HG2  ILE  86          1HG2      ILE  86  -5.190  -3.954   8.276
  662   2HG2  ILE  86          2HG2      ILE  86  -4.651  -3.907   9.957
  663   3HG2  ILE  86          3HG2      ILE  86  -3.906  -2.844   8.763
  664   1HD1  ILE  86          1HD1      ILE  86  -4.004  -5.622  10.918
  665   2HD1  ILE  86          2HD1      ILE  86  -2.481  -6.319  11.471
  666   3HD1  ILE  86          3HD1      ILE  86  -2.847  -4.626  11.799
  667    H    VAL  87           HN       VAL  87  -3.444  -5.729   5.910
  668    HA   VAL  87           HA       VAL  87  -5.780  -4.490   5.107
  669    HB   VAL  87           HB       VAL  87  -3.592  -4.400   3.944
  670   1HG1  VAL  87          1HG1      VAL  87  -2.835  -6.554   3.766
  671   2HG1  VAL  87          2HG1      VAL  87  -4.348  -7.132   3.059
  672   3HG1  VAL  87          3HG1      VAL  87  -3.264  -6.108   2.117
  673   1HG2  VAL  87          1HG2      VAL  87  -4.455  -3.966   1.801
  674   2HG2  VAL  87          2HG2      VAL  87  -5.758  -5.134   2.014
  675   3HG2  VAL  87          3HG2      VAL  87  -5.764  -3.630   2.934
  676    H    ILE  88           HN       ILE  88  -4.826  -7.862   4.806
  677    HA   ILE  88           HA       ILE  88  -7.097  -8.803   3.431
  678    HB   ILE  88           HB       ILE  88  -5.294 -10.240   5.377
  679   1HG1  ILE  88          2HG1      ILE  88  -4.257  -9.494   3.267
  680   2HG1  ILE  88          3HG1      ILE  88  -4.362 -11.250   3.359
  681   1HG2  ILE  88          1HG2      ILE  88  -6.285 -12.324   4.549
  682   2HG2  ILE  88          2HG2      ILE  88  -7.488 -11.317   5.356
  683   3HG2  ILE  88          3HG2      ILE  88  -7.443 -11.395   3.592
  684   1HD1  ILE  88          1HD1      ILE  88  -5.629  -9.378   1.502
  685   2HD1  ILE  88          2HD1      ILE  88  -5.170 -11.065   1.284
  686   3HD1  ILE  88          3HD1      ILE  88  -6.681 -10.661   2.097
  687    H    GLU  89           HN       GLU  89  -6.441  -8.669   6.969
  688    HA   GLU  89           HA       GLU  89  -8.975  -9.717   7.646
  689   1HB   GLU  89          2HB       GLU  89  -7.143  -9.608   9.284
  690   2HB   GLU  89          3HB       GLU  89  -7.261  -7.851   9.299
  691   1HG   GLU  89          2HG       GLU  89  -9.541  -8.001  10.151
  692   2HG   GLU  89          3HG       GLU  89  -9.443  -9.757  10.118
  693    H    MET  90           HN       MET  90  -7.859  -6.341   7.408
  694    HA   MET  90           HA       MET  90 -10.271  -5.073   8.034
  695   1HB   MET  90          2HB       MET  90  -8.020  -4.235   6.205
  696   2HB   MET  90          3HB       MET  90  -9.378  -3.187   6.596
  697   1HG   MET  90          2HG       MET  90  -7.449  -4.368   8.582
  698   2HG   MET  90          3HG       MET  90  -7.393  -2.722   7.954
  699   1HE   MET  90          1HE       MET  90  -7.243  -1.938  10.394
  700   2HE   MET  90          2HE       MET  90  -8.528  -2.073  11.597
  701   3HE   MET  90          3HE       MET  90  -7.553  -3.482  11.188
  702    H    TYR  91           HN       TYR  91  -9.108  -6.408   4.997
  703    HA   TYR  91           HA       TYR  91 -11.206  -5.612   3.290
  704   1HB   TYR  91          2HB       TYR  91  -9.342  -6.496   2.227
  705   2HB   TYR  91          3HB       TYR  91  -9.194  -7.829   3.362
  706    HD1  TYR  91           1HD      TYR  91 -11.772  -6.645   0.876
  707    HD2  TYR  91           2HD      TYR  91  -9.525  -9.856   2.502
  708    HE1  TYR  91           1HE      TYR  91 -12.842  -8.186  -0.705
  709    HE2  TYR  91           2HE      TYR  91 -10.560 -11.404   0.935
  710    HH   TYR  91           HH       TYR  91 -13.042 -10.285  -1.386
  711    H    GLN  92           HN       GLN  92 -10.749  -8.629   5.126
  712    HA   GLN  92           HA       GLN  92 -13.205  -9.750   4.364
  713   1HB   GLN  92          2HB       GLN  92 -11.516 -10.352   6.801
  714   2HB   GLN  92          3HB       GLN  92 -12.831 -11.360   6.204
  715   1HG   GLN  92          2HG       GLN  92 -11.614 -11.660   4.087
  716   2HG   GLN  92          3HG       GLN  92 -10.289 -10.694   4.730
  717   1HE2  GLN  92          1HE2      GLN  92 -11.183 -13.714   4.088
  718   2HE2  GLN  92          2HE2      GLN  92 -10.285 -14.578   5.291
  719    H    ARG  93           HN       ARG  93 -12.292  -7.737   7.104
  720    HA   ARG  93           HA       ARG  93 -14.761  -7.790   8.511
  721   1HB   ARG  93          2HB       ARG  93 -12.845  -5.460   8.309
  722   2HB   ARG  93          3HB       ARG  93 -14.022  -5.756   9.569
  723   1HG   ARG  93          2HG       ARG  93 -11.562  -7.391   9.039
  724   2HG   ARG  93          3HG       ARG  93 -11.767  -6.206  10.326
  725   1HD   ARG  93          2HD       ARG  93 -13.339  -8.753   9.999
  726   2HD   ARG  93          3HD       ARG  93 -12.022  -8.494  11.138
  727    HE   ARG  93           HE       ARG  93 -14.084  -6.564  11.503
  728   1HH1  ARG  93          2HH1      ARG  93 -13.085  -9.831  12.235
  729   2HH1  ARG  93          1HH1      ARG  93 -14.231 -10.034  13.528
  730   1HH2  ARG  93          2HH2      ARG  93 -15.631  -6.827  13.190
  731   2HH2  ARG  93          1HH2      ARG  93 -15.672  -8.332  14.073
  732    H    GLY  94           HN       GLY  94 -13.555  -6.091   5.741
  733   1HA   GLY  94          1HA       GLY  94 -14.729  -4.968   4.066
  734   2HA   GLY  94          2HA       GLY  94 -16.179  -5.033   5.062
  735    H    GLU  95           HN       GLU  95 -13.272  -4.030   6.534
  736    HA   GLU  95           HA       GLU  95 -14.254  -1.312   6.868
  737   1HB   GLU  95          2HB       GLU  95 -11.862  -2.714   8.059
  738   2HB   GLU  95          3HB       GLU  95 -12.479  -1.133   8.530
  739   1HG   GLU  95          2HG       GLU  95 -13.989  -3.723   8.745
  740   2HG   GLU  95          3HG       GLU  95 -13.170  -2.900  10.060
  741    H    LEU  96           HN       LEU  96 -11.777  -3.111   5.338
  742    HA   LEU  96           HA       LEU  96  -9.795  -1.253   4.793
  743   1HB   LEU  96          2HB       LEU  96  -9.868  -3.790   4.409
  744   2HB   LEU  96          3HB       LEU  96 -10.702  -3.443   2.917
  745    HG   LEU  96           HG       LEU  96  -7.838  -2.807   3.616
  746   1HD1  LEU  96          1HD1      LEU  96  -8.313  -4.158   1.136
  747   2HD1  LEU  96          2HD1      LEU  96  -7.380  -4.680   2.538
  748   3HD1  LEU  96          3HD1      LEU  96  -9.110  -5.010   2.458
  749   1HD2  LEU  96          1HD2      LEU  96  -8.028  -2.201   0.990
  750   2HD2  LEU  96          2HD2      LEU  96  -9.569  -1.580   1.586
  751   3HD2  LEU  96          3HD2      LEU  96  -8.057  -1.009   2.292
  752    H    GLN  97           HN       GLN  97 -12.428  -2.341   2.763
  753    HA   GLN  97           HA       GLN  97 -12.120  -0.499   0.674
  754   1HB   GLN  97          2HB       GLN  97 -14.523  -1.151   0.169
  755   2HB   GLN  97          3HB       GLN  97 -13.337  -2.438   0.190
  756   1HG   GLN  97          2HG       GLN  97 -14.047  -2.963   2.520
  757   2HG   GLN  97          3HG       GLN  97 -15.326  -1.765   2.337
  758   1HE2  GLN  97          1HE2      GLN  97 -14.610  -4.971   2.115
  759   2HE2  GLN  97          2HE2      GLN  97 -15.899  -5.482   1.084
  760    H    GLN  98           HN       GLN  98 -13.647  -0.279   3.742
  761    HA   GLN  98           HA       GLN  98 -15.256   1.999   3.195
  762   1HB   GLN  98          2HB       GLN  98 -14.242   0.719   5.719
  763   2HB   GLN  98          3HB       GLN  98 -15.209   2.171   5.747
  764   1HG   GLN  98          2HG       GLN  98 -16.021  -0.478   4.592
  765   2HG   GLN  98          3HG       GLN  98 -16.579   0.205   6.118
  766   1HE2  GLN  98          1HE2      GLN  98 -18.553   0.952   5.989
  767   2HE2  GLN  98          2HE2      GLN  98 -19.282   1.707   4.614
  768    H    LEU  99           HN       LEU  99 -12.059   1.459   4.546
  769    HA   LEU  99           HA       LEU  99 -11.412   4.194   4.963
  770   1HB   LEU  99          2HB       LEU  99  -9.500   1.935   4.352
  771   2HB   LEU  99          3HB       LEU  99  -9.144   3.421   5.209
  772    HG   LEU  99           HG       LEU  99 -10.889   1.166   6.200
  773   1HD1  LEU  99          1HD1      LEU  99  -8.489   0.663   6.187
  774   2HD1  LEU  99          2HD1      LEU  99  -8.182   2.121   7.132
  775   3HD1  LEU  99          3HD1      LEU  99  -9.124   0.802   7.827
  776   1HD2  LEU  99          1HD2      LEU  99 -10.209   2.882   8.304
  777   2HD2  LEU  99          2HD2      LEU  99 -10.735   3.936   6.991
  778   3HD2  LEU  99          3HD2      LEU  99 -11.799   2.656   7.577
  779    H    ILE 100           HN       ILE 100 -10.755   1.874   2.374
  780    HA   ILE 100           HA       ILE 100  -9.318   3.608   0.707
  781    HB   ILE 100           HB       ILE 100 -10.993   1.206  -0.034
  782   1HG1  ILE 100          2HG1      ILE 100  -9.094   0.728   1.447
  783   2HG1  ILE 100          3HG1      ILE 100  -8.851   0.045  -0.156
  784   1HG2  ILE 100          1HG2      ILE 100 -10.626   1.595  -2.187
  785   2HG2  ILE 100          2HG2      ILE 100  -9.973   3.174  -1.750
  786   3HG2  ILE 100          3HG2      ILE 100  -8.896   1.786  -1.902
  787   1HD1  ILE 100          1HD1      ILE 100  -7.642   2.470  -0.394
  788   2HD1  ILE 100          2HD1      ILE 100  -7.310   2.056   1.287
  789   3HD1  ILE 100          3HD1      ILE 100  -6.825   0.956  -0.006
  790    H    LYS 101           HN       LYS 101 -12.802   2.815   0.714
  791    HA   LYS 101           HA       LYS 101 -13.475   4.309  -1.518
  792   1HB   LYS 101          2HB       LYS 101 -15.032   2.740  -0.508
  793   2HB   LYS 101          3HB       LYS 101 -15.148   3.747   0.934
  794   1HG   LYS 101          2HG       LYS 101 -16.098   5.529  -0.365
  795   2HG   LYS 101          3HG       LYS 101 -15.941   4.585  -1.825
  796   1HD   LYS 101          2HD       LYS 101 -18.234   4.515  -1.051
  797   2HD   LYS 101          3HD       LYS 101 -17.503   2.920  -0.890
  798   1HE   LYS 101          2HE       LYS 101 -17.185   3.256   1.477
  799   2HE   LYS 101          3HE       LYS 101 -17.763   4.917   1.355
  800   1HZ   LYS 101          1HZ       LYS 101 -19.263   2.543   1.697
  801   2HZ   LYS 101          2HZ       LYS 101 -19.738   3.303   0.255
  802   3HZ   LYS 101          3HZ       LYS 101 -19.793   4.155   1.719
  803    H    GLU 102           HN       GLU 102 -13.453   5.305   1.884
  804    HA   GLU 102           HA       GLU 102 -14.463   7.879   1.494
  805   1HB   GLU 102          2HB       GLU 102 -14.275   6.762   3.684
  806   2HB   GLU 102          3HB       GLU 102 -12.528   6.910   3.608
  807   1HG   GLU 102          2HG       GLU 102 -14.294   9.321   3.499
  808   2HG   GLU 102          3HG       GLU 102 -13.862   8.568   5.025
  809    H    THR 103           HN       THR 103 -11.124   6.733   1.613
  810    HA   THR 103           HA       THR 103  -9.929   9.247   1.052
  811    HB   THR 103           HB       THR 103  -8.888   6.443   0.852
  812    HG1  THR 103           1HG      THR 103  -9.425   8.059   2.897
  813   1HG2  THR 103          1HG2      THR 103  -6.655   7.602   0.951
  814   2HG2  THR 103          2HG2      THR 103  -7.514   9.088   0.547
  815   3HG2  THR 103          3HG2      THR 103  -7.523   7.731  -0.579
  816    H    ALA 104           HN       ALA 104 -10.645   6.440  -0.954
  817    HA   ALA 104           HA       ALA 104  -9.441   7.406  -3.265
  818   1HB   ALA 104          1HB       ALA 104 -11.850   5.679  -3.437
  819   2HB   ALA 104          2HB       ALA 104 -10.327   5.592  -4.326
  820   3HB   ALA 104          3HB       ALA 104 -10.397   5.070  -2.643
  821    H    ALA 105           HN       ALA 105 -12.774   7.768  -2.087
  822    HA   ALA 105           HA       ALA 105 -13.727   9.115  -4.386
  823   1HB   ALA 105          1HB       ALA 105 -15.218   8.054  -2.756
  824   2HB   ALA 105          2HB       ALA 105 -14.800   9.301  -1.580
  825   3HB   ALA 105          3HB       ALA 105 -15.643   9.737  -3.066
  826    H    LYS 106           HN       LYS 106 -12.206  10.298  -1.412
  827    HA   LYS 106           HA       LYS 106 -12.781  13.005  -2.014
  828   1HB   LYS 106          2HB       LYS 106 -11.225  13.604  -0.201
  829   2HB   LYS 106          3HB       LYS 106 -12.423  12.420   0.286
  830   1HG   LYS 106          2HG       LYS 106 -10.503  11.643   1.279
  831   2HG   LYS 106          3HG       LYS 106 -10.579  10.695  -0.205
  832   1HD   LYS 106          2HD       LYS 106  -8.337  11.406   0.024
  833   2HD   LYS 106          3HD       LYS 106  -9.050  12.405  -1.240
  834   1HE   LYS 106          2HE       LYS 106  -7.741  13.814   0.183
  835   2HE   LYS 106          3HE       LYS 106  -9.445  14.167   0.477
  836   1HZ   LYS 106          1HZ       LYS 106  -9.351  12.752   2.450
  837   2HZ   LYS 106          2HZ       LYS 106  -8.214  14.001   2.550
  838   3HZ   LYS 106          3HZ       LYS 106  -7.711  12.428   2.160
  839    H    TYR 107           HN       TYR 107 -10.278  10.843  -3.071
  840    HA   TYR 107           HA       TYR 107  -8.822  13.091  -4.282
  841   1HB   TYR 107          2HB       TYR 107  -8.211  10.134  -4.281
  842   2HB   TYR 107          3HB       TYR 107  -7.279  11.324  -5.176
  843    HD1  TYR 107           1HD      TYR 107  -6.109  13.144  -3.870
  844    HD2  TYR 107           2HD      TYR 107  -7.724   9.661  -2.002
  845    HE1  TYR 107           1HE      TYR 107  -4.638  13.490  -1.935
  846    HE2  TYR 107           2HE      TYR 107  -6.286  10.015  -0.083
  847    HH   TYR 107           HH       TYR 107  -5.029  11.728   1.004
  848    H    LYS 108           HN       LYS 108 -10.499  10.121  -5.248
  849    HA   LYS 108           HA       LYS 108 -10.678  11.012  -8.022
  850   1HB   LYS 108          2HB       LYS 108 -11.773   8.532  -6.732
  851   2HB   LYS 108          3HB       LYS 108 -11.666   8.849  -8.453
  852   1HG   LYS 108          2HG       LYS 108  -9.275   8.684  -8.397
  853   2HG   LYS 108          3HG       LYS 108  -9.284   8.562  -6.633
  854   1HD   LYS 108          2HD       LYS 108 -10.444   6.583  -8.598
  855   2HD   LYS 108          3HD       LYS 108  -9.033   6.345  -7.558
  856   1HE   LYS 108          2HE       LYS 108 -10.474   6.629  -5.586
  857   2HE   LYS 108          3HE       LYS 108 -11.866   6.800  -6.646
  858   1HZ   LYS 108          1HZ       LYS 108 -11.608   4.547  -7.379
  859   2HZ   LYS 108          2HZ       LYS 108 -11.652   4.562  -5.683
  860   3HZ   LYS 108          3HZ       LYS 108 -10.174   4.366  -6.492
  861    H    SER 109           HN       SER 109 -12.319  12.469  -8.348
  862    HA   SER 109           HA       SER 109 -14.483  12.787  -6.611
  863   1HB   SER 109          2HB       SER 109 -14.337  13.572  -9.517
  864   2HB   SER 109          3HB       SER 109 -15.436  14.239  -8.315
  865    HG   SER 109           HG       SER 109 -12.963  14.440  -7.362
  866    H    GLU 110           HN       GLU 110 -16.256  11.731  -6.351
  867    HA   GLU 110           HA       GLU 110 -17.964  10.266  -6.539
  868   1HB   GLU 110          2HB       GLU 110 -17.775  11.167  -9.410
  869   2HB   GLU 110          3HB       GLU 110 -19.171  10.371  -8.689
  870   1HG   GLU 110          2HG       GLU 110 -19.427  12.238  -7.130
  871   2HG   GLU 110          3HG       GLU 110 -18.025  13.028  -7.850
  872    H    GLU 111           HN       GLU 111 -15.603   8.914  -6.462
  873    HA   GLU 111           HA       GLU 111 -16.115   6.630  -8.254
  874   1HB   GLU 111          2HB       GLU 111 -13.452   7.618  -7.205
  875   2HB   GLU 111          3HB       GLU 111 -13.673   6.049  -7.988
  876   1HG   GLU 111          2HG       GLU 111 -14.253   8.711  -9.282
  877   2HG   GLU 111          3HG       GLU 111 -12.754   7.804  -9.469
  878    HA   PRO 112           HA       PRO 112 -16.583   5.525  -3.689
  879   1HB   PRO 112          2HB       PRO 112 -18.946   4.066  -4.693
  880   2HB   PRO 112          3HB       PRO 112 -18.802   5.152  -3.308
  881   1HG   PRO 112          2HG       PRO 112 -20.079   5.906  -5.530
  882   2HG   PRO 112          3HG       PRO 112 -19.095   7.051  -4.599
  883   1HD   PRO 112          2HD       PRO 112 -18.427   5.603  -7.133
  884   2HD   PRO 112          3HD       PRO 112 -18.097   7.289  -6.683
  885    H    ASP 113           HN       ASP 113 -15.142   4.006  -3.274
  886    HA   ASP 113           HA       ASP 113 -14.627   1.803  -5.003
  887   1HB   ASP 113          2HB       ASP 113 -13.536   2.699  -2.356
  888   2HB   ASP 113          3HB       ASP 113 -13.018   1.183  -3.100
  889    H    ALA 114           HN       ALA 114 -15.562   1.844  -1.564
  890    HA   ALA 114           HA       ALA 114 -15.844  -0.939  -1.429
  891   1HB   ALA 114          1HB       ALA 114 -17.401   0.061   0.639
  892   2HB   ALA 114          2HB       ALA 114 -15.684  -0.341   0.711
  893   3HB   ALA 114          3HB       ALA 114 -16.190   1.311   0.355
  894    H    GLU 115           HN       GLU 115 -18.376   1.537  -1.302
  895    HA   GLU 115           HA       GLU 115 -20.184  -0.009  -2.876
  896   1HB   GLU 115          2HB       GLU 115 -20.337  -1.231  -0.754
  897   2HB   GLU 115          3HB       GLU 115 -20.648   0.265   0.110
  898   1HG   GLU 115          2HG       GLU 115 -22.506  -0.570  -2.060
  899   2HG   GLU 115          3HG       GLU 115 -22.580  -1.384  -0.501
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  17.712  14.392  -3.810
    2   2H    MET   1          2H        MET   1  17.021  13.311  -2.700
    3   3H    MET   1          3H        MET   1  16.727  13.128  -4.363
    4    HA   MET   1           HA       MET   1  18.846  12.380  -4.815
    5   1HB   MET   1          2HB       MET   1  20.685  12.559  -3.171
    6   2HB   MET   1          3HB       MET   1  20.036  14.129  -3.621
    7   1HG   MET   1          2HG       MET   1  18.761  14.205  -1.543
    8   2HG   MET   1          3HG       MET   1  19.400  12.625  -1.092
    9   1HE   MET   1          1HE       MET   1  21.121  14.221   1.503
   10   2HE   MET   1          2HE       MET   1  20.314  15.687   0.947
   11   3HE   MET   1          3HE       MET   1  19.466  14.141   0.899
   12    H    SER   2           HN       SER   2  19.361  10.252  -4.606
   13    HA   SER   2           HA       SER   2  19.146   8.083  -3.990
   14   1HB   SER   2          2HB       SER   2  20.441   8.856  -2.033
   15   2HB   SER   2          3HB       SER   2  18.944   9.265  -1.201
   16    HG   SER   2           HG       SER   2  19.770   6.665  -2.035
   17    H    THR   3           HN       THR   3  17.426   7.763  -1.309
   18    HA   THR   3           HA       THR   3  14.769   8.163  -2.421
   19    HB   THR   3           HB       THR   3  15.673   5.406  -1.532
   20    HG1  THR   3           1HG      THR   3  15.904   6.669  -3.938
   21   1HG2  THR   3          1HG2      THR   3  13.455   4.893  -2.840
   22   2HG2  THR   3          2HG2      THR   3  13.085   6.578  -2.470
   23   3HG2  THR   3          3HG2      THR   3  13.388   5.433  -1.162
   24    H    THR   4           HN       THR   4  15.695   9.628  -0.503
   25    HA   THR   4           HA       THR   4  15.633   8.634   2.120
   26    HB   THR   4           HB       THR   4  15.498  11.010   2.814
   27    HG1  THR   4           1HG      THR   4  15.292  12.614   1.267
   28   1HG2  THR   4          1HG2      THR   4  17.425  10.613   0.524
   29   2HG2  THR   4          2HG2      THR   4  17.658   9.962   2.146
   30   3HG2  THR   4          3HG2      THR   4  17.611  11.706   1.895
   31    H    ILE   5           HN       ILE   5  14.089   8.856   3.757
   32    HA   ILE   5           HA       ILE   5  11.452   8.232   3.173
   33    HB   ILE   5           HB       ILE   5  12.723   9.379   5.646
   34   1HG1  ILE   5          2HG1      ILE   5  11.383   6.726   5.182
   35   2HG1  ILE   5          3HG1      ILE   5  13.103   6.980   4.880
   36   1HG2  ILE   5          1HG2      ILE   5   9.884   8.406   5.510
   37   2HG2  ILE   5          2HG2      ILE   5  10.706   9.193   6.858
   38   3HG2  ILE   5          3HG2      ILE   5  10.315  10.112   5.403
   39   1HD1  ILE   5          1HD1      ILE   5  12.470   5.946   7.094
   40   2HD1  ILE   5          2HD1      ILE   5  13.532   7.353   7.170
   41   3HD1  ILE   5          3HD1      ILE   5  11.815   7.523   7.538
   42    H    GLU   6           HN       GLU   6  12.927  11.401   3.597
   43    HA   GLU   6           HA       GLU   6  10.617  12.966   3.770
   44   1HB   GLU   6          2HB       GLU   6  13.264  13.597   2.451
   45   2HB   GLU   6          3HB       GLU   6  12.042  14.785   2.887
   46   1HG   GLU   6          2HG       GLU   6  12.290  14.186   5.239
   47   2HG   GLU   6          3HG       GLU   6  13.503  12.980   4.804
   48    H    LYS   7           HN       LYS   7  12.406  11.811   0.939
   49    HA   LYS   7           HA       LYS   7  10.612  12.858  -1.018
   50   1HB   LYS   7          2HB       LYS   7  12.588  10.573  -1.110
   51   2HB   LYS   7          3HB       LYS   7  11.680  11.135  -2.504
   52   1HG   LYS   7          2HG       LYS   7  13.566  12.845  -0.905
   53   2HG   LYS   7          3HG       LYS   7  14.000  11.988  -2.382
   54   1HD   LYS   7          2HD       LYS   7  11.793  14.038  -2.203
   55   2HD   LYS   7          3HD       LYS   7  13.443  14.410  -2.694
   56   1HE   LYS   7          2HE       LYS   7  12.114  14.155  -4.672
   57   2HE   LYS   7          3HE       LYS   7  13.196  12.773  -4.556
   58   1HZ   LYS   7          1HZ       LYS   7  10.912  12.185  -5.217
   59   2HZ   LYS   7          2HZ       LYS   7  10.346  12.749  -3.722
   60   3HZ   LYS   7          3HZ       LYS   7  11.393  11.415  -3.787
   61    H    ILE   8           HN       ILE   8  10.955   9.759   0.649
   62    HA   ILE   8           HA       ILE   8   9.051   8.328  -0.758
   63    HB   ILE   8           HB       ILE   8  10.008   8.004   2.084
   64   1HG1  ILE   8          2HG1      ILE   8  10.712   6.529  -0.463
   65   2HG1  ILE   8          3HG1      ILE   8  11.679   7.816   0.246
   66   1HG2  ILE   8          1HG2      ILE   8   8.970   5.615   0.858
   67   2HG2  ILE   8          2HG2      ILE   8   8.596   6.339   2.424
   68   3HG2  ILE   8          3HG2      ILE   8   7.732   6.866   0.980
   69   1HD1  ILE   8          1HD1      ILE   8  11.167   5.067   1.312
   70   2HD1  ILE   8          2HD1      ILE   8  12.705   5.824   0.900
   71   3HD1  ILE   8          3HD1      ILE   8  11.809   6.365   2.319
   72    H    GLN   9           HN       GLN   9   8.587  10.185   2.266
   73    HA   GLN   9           HA       GLN   9   5.898   9.448   2.571
   74   1HB   GLN   9          2HB       GLN   9   7.452  11.795   3.618
   75   2HB   GLN   9          3HB       GLN   9   5.744  11.578   3.981
   76   1HG   GLN   9          2HG       GLN   9   6.259   9.395   4.978
   77   2HG   GLN   9          3HG       GLN   9   7.970   9.668   4.654
   78   1HE2  GLN   9          1HE2      GLN   9   8.979  10.138   6.459
   79   2HE2  GLN   9          2HE2      GLN   9   8.407  11.199   7.701
   80    H    ARG  10           HN       ARG  10   7.330  12.213   0.934
   81    HA   ARG  10           HA       ARG  10   4.912  13.442   0.133
   82   1HB   ARG  10          2HB       ARG  10   7.724  13.478  -0.896
   83   2HB   ARG  10          3HB       ARG  10   6.447  14.192  -1.861
   84   1HG   ARG  10          2HG       ARG  10   7.691  15.818  -0.491
   85   2HG   ARG  10          3HG       ARG  10   5.972  15.810  -0.157
   86   1HD   ARG  10          2HD       ARG  10   7.984  14.332   1.516
   87   2HD   ARG  10          3HD       ARG  10   7.536  16.009   1.821
   88    HE   ARG  10           HE       ARG  10   6.061  13.706   2.515
   89   1HH1  ARG  10          2HH1      ARG  10   5.710  17.051   1.582
   90   2HH1  ARG  10          1HH1      ARG  10   4.065  17.175   2.134
   91   1HH2  ARG  10          2HH2      ARG  10   3.900  13.851   3.261
   92   2HH2  ARG  10          1HH2      ARG  10   3.040  15.352   3.086
   93    H    GLN  11           HN       GLN  11   6.755  10.743  -1.090
   94    HA   GLN  11           HA       GLN  11   5.377  10.499  -3.585
   95   1HB   GLN  11          2HB       GLN  11   7.646   9.626  -3.213
   96   2HB   GLN  11          3HB       GLN  11   7.010   8.472  -2.050
   97   1HG   GLN  11          2HG       GLN  11   5.715   7.402  -3.816
   98   2HG   GLN  11          3HG       GLN  11   6.345   8.565  -4.983
   99   1HE2  GLN  11          1HE2      GLN  11   6.679   5.523  -3.920
  100   2HE2  GLN  11          2HE2      GLN  11   8.336   5.239  -4.312
  101    H    ILE  12           HN       ILE  12   5.101   8.875  -0.445
  102    HA   ILE  12           HA       ILE  12   3.030   7.107  -1.250
  103    HB   ILE  12           HB       ILE  12   3.663   8.102   1.541
  104   1HG1  ILE  12          2HG1      ILE  12   4.695   5.704   0.014
  105   2HG1  ILE  12          3HG1      ILE  12   5.630   7.096   0.555
  106   1HG2  ILE  12          1HG2      ILE  12   2.646   5.921   2.227
  107   2HG2  ILE  12          2HG2      ILE  12   1.511   7.090   1.543
  108   3HG2  ILE  12          3HG2      ILE  12   2.082   5.736   0.564
  109   1HD1  ILE  12          1HD1      ILE  12   4.342   5.975   2.811
  110   2HD1  ILE  12          2HD1      ILE  12   5.133   4.676   1.914
  111   3HD1  ILE  12          3HD1      ILE  12   6.067   6.073   2.450
  112    H    ALA  13           HN       ALA  13   3.077  10.237   0.315
  113    HA   ALA  13           HA       ALA  13   0.364  10.504   0.878
  114   1HB   ALA  13          1HB       ALA  13   2.619  12.404   0.511
  115   2HB   ALA  13          2HB       ALA  13   0.978  13.045   0.584
  116   3HB   ALA  13          3HB       ALA  13   1.615  12.097   1.929
  117    H    GLU  14           HN       GLU  14   2.150  11.321  -2.094
  118    HA   GLU  14           HA       GLU  14   0.013  12.720  -3.251
  119   1HB   GLU  14          2HB       GLU  14   1.201  12.575  -5.385
  120   2HB   GLU  14          3HB       GLU  14   2.235  13.101  -4.068
  121   1HG   GLU  14          2HG       GLU  14   3.192  10.878  -3.926
  122   2HG   GLU  14          3HG       GLU  14   2.152  10.336  -5.244
  123    H    ASN  15           HN       ASN  15   0.774   9.300  -3.249
  124    HA   ASN  15           HA       ASN  15  -1.225   8.706  -5.256
  125   1HB   ASN  15          2HB       ASN  15   0.319   6.907  -3.377
  126   2HB   ASN  15          3HB       ASN  15  -0.826   6.323  -4.581
  127   1HD2  ASN  15          1HD2      ASN  15   2.336   6.793  -3.990
  128   2HD2  ASN  15          2HD2      ASN  15   2.928   6.938  -5.606
  129    HA   PRO  16           HA       PRO  16  -4.749   9.047  -2.541
  130   1HB   PRO  16          2HB       PRO  16  -5.843   7.124  -4.545
  131   2HB   PRO  16          3HB       PRO  16  -6.551   8.637  -3.957
  132   1HG   PRO  16          2HG       PRO  16  -5.461   8.555  -6.361
  133   2HG   PRO  16          3HG       PRO  16  -5.122   9.939  -5.302
  134   1HD   PRO  16          2HD       PRO  16  -3.400   7.559  -5.913
  135   2HD   PRO  16          3HD       PRO  16  -2.947   9.273  -5.795
  136    H    ILE  17           HN       ILE  17  -3.883   5.962  -3.970
  137    HA   ILE  17           HA       ILE  17  -4.308   4.606  -1.397
  138    HB   ILE  17           HB       ILE  17  -5.169   3.473  -4.074
  139   1HG1  ILE  17          2HG1      ILE  17  -6.604   5.413  -3.470
  140   2HG1  ILE  17          3HG1      ILE  17  -7.475   3.887  -3.485
  141   1HG2  ILE  17          1HG2      ILE  17  -4.545   1.896  -2.254
  142   2HG2  ILE  17          2HG2      ILE  17  -5.870   2.554  -1.295
  143   3HG2  ILE  17          3HG2      ILE  17  -6.209   1.732  -2.819
  144   1HD1  ILE  17          1HD1      ILE  17  -8.237   4.408  -1.466
  145   2HD1  ILE  17          2HD1      ILE  17  -6.593   4.245  -0.850
  146   3HD1  ILE  17          3HD1      ILE  17  -7.182   5.824  -1.386
  147    H    LEU  18           HN       LEU  18  -2.440   3.535  -0.944
  148    HA   LEU  18           HA       LEU  18  -0.751   2.786  -3.231
  149   1HB   LEU  18          2HB       LEU  18  -0.126   4.963  -2.132
  150   2HB   LEU  18          3HB       LEU  18   0.267   4.044  -0.694
  151    HG   LEU  18           HG       LEU  18   1.986   2.811  -1.957
  152   1HD1  LEU  18          1HD1      LEU  18   2.532   4.157  -4.203
  153   2HD1  LEU  18          2HD1      LEU  18   1.519   2.712  -4.168
  154   3HD1  LEU  18          3HD1      LEU  18   0.774   4.311  -4.195
  155   1HD2  LEU  18          1HD2      LEU  18   2.393   5.758  -2.388
  156   2HD2  LEU  18          2HD2      LEU  18   2.339   5.062  -0.767
  157   3HD2  LEU  18          3HD2      LEU  18   3.577   4.537  -1.915
  158    H    LEU  19           HN       LEU  19   0.440   0.993  -3.044
  159    HA   LEU  19           HA       LEU  19   0.179  -0.617  -0.602
  160   1HB   LEU  19          2HB       LEU  19  -1.608  -1.322  -1.922
  161   2HB   LEU  19          3HB       LEU  19  -0.693  -1.170  -3.405
  162    HG   LEU  19           HG       LEU  19   0.568  -3.167  -2.885
  163   1HD1  LEU  19          1HD1      LEU  19   0.332  -2.803  -0.332
  164   2HD1  LEU  19          2HD1      LEU  19  -1.213  -3.638  -0.504
  165   3HD1  LEU  19          3HD1      LEU  19   0.287  -4.458  -0.944
  166   1HD2  LEU  19          1HD2      LEU  19  -2.405  -3.555  -2.540
  167   2HD2  LEU  19          2HD2      LEU  19  -1.573  -3.283  -4.073
  168   3HD2  LEU  19          3HD2      LEU  19  -1.249  -4.747  -3.141
  169    H    TYR  20           HN       TYR  20   2.154  -1.280   0.012
  170    HA   TYR  20           HA       TYR  20   4.222  -1.475  -2.048
  171   1HB   TYR  20          2HB       TYR  20   4.340  -1.238   0.944
  172   2HB   TYR  20          3HB       TYR  20   5.744  -1.733   0.002
  173    HD1  TYR  20           1HD      TYR  20   7.258  -0.062  -0.274
  174    HD2  TYR  20           2HD      TYR  20   3.129   0.953  -0.363
  175    HE1  TYR  20           1HE      TYR  20   7.849   2.274  -0.728
  176    HE2  TYR  20           2HE      TYR  20   3.720   3.291  -0.813
  177    HH   TYR  20           HH       TYR  20   6.415   4.668  -0.242
  178    H    MET  21           HN       MET  21   4.872  -3.324  -2.803
  179    HA   MET  21           HA       MET  21   4.642  -5.756  -1.201
  180   1HB   MET  21          2HB       MET  21   3.631  -6.882  -3.231
  181   2HB   MET  21          3HB       MET  21   2.579  -5.750  -2.395
  182   1HG   MET  21          2HG       MET  21   2.990  -4.057  -4.043
  183   2HG   MET  21          3HG       MET  21   4.198  -5.063  -4.837
  184   1HE   MET  21          1HE       MET  21   0.005  -4.879  -4.405
  185   2HE   MET  21          2HE       MET  21  -0.048  -6.636  -4.514
  186   3HE   MET  21          3HE       MET  21   0.905  -5.862  -3.252
  187    H    LYS  22           HN       LYS  22   5.307  -7.641  -3.110
  188    HA   LYS  22           HA       LYS  22   8.018  -6.811  -3.893
  189   1HB   LYS  22          2HB       LYS  22   7.852  -8.892  -2.558
  190   2HB   LYS  22          3HB       LYS  22   6.819  -9.593  -3.797
  191   1HG   LYS  22          2HG       LYS  22   8.641  -9.490  -5.406
  192   2HG   LYS  22          3HG       LYS  22   9.677  -8.719  -4.204
  193   1HD   LYS  22          2HD       LYS  22   9.480 -10.716  -2.782
  194   2HD   LYS  22          3HD       LYS  22   8.492 -11.487  -4.022
  195   1HE   LYS  22          2HE       LYS  22  11.356 -10.589  -4.347
  196   2HE   LYS  22          3HE       LYS  22  10.818 -12.249  -4.106
  197   1HZ   LYS  22          1HZ       LYS  22  11.150 -10.948  -6.506
  198   2HZ   LYS  22          2HZ       LYS  22   9.474 -11.050  -6.309
  199   3HZ   LYS  22          3HZ       LYS  22  10.416 -12.455  -6.267
  200    H    GLY  23           HN       GLY  23   8.104  -6.045  -5.884
  201   1HA   GLY  23          1HA       GLY  23   6.142  -6.983  -7.829
  202   2HA   GLY  23          2HA       GLY  23   7.161  -5.559  -7.994
  203    H    SER  24           HN       SER  24   6.576  -8.350  -9.376
  204    HA   SER  24           HA       SER  24   9.302  -8.609 -10.385
  205   1HB   SER  24          2HB       SER  24   7.582 -10.903  -9.395
  206   2HB   SER  24          3HB       SER  24   9.132 -11.071 -10.214
  207    HG   SER  24           HG       SER  24   9.701  -9.467  -8.324
  208    HA   PRO  25           HA       PRO  25   7.218  -8.371 -14.256
  209   1HB   PRO  25          2HB       PRO  25   8.755 -10.292 -15.635
  210   2HB   PRO  25          3HB       PRO  25   9.055  -8.554 -15.562
  211   1HG   PRO  25          2HG       PRO  25  10.298 -10.757 -14.005
  212   2HG   PRO  25          3HG       PRO  25  10.997  -9.218 -14.536
  213   1HD   PRO  25          2HD       PRO  25  10.293  -9.644 -11.978
  214   2HD   PRO  25          3HD       PRO  25  10.104  -8.052 -12.744
  215    H    LYS  26           HN       LYS  26   8.036 -11.638 -13.156
  216    HA   LYS  26           HA       LYS  26   5.915 -12.889 -14.597
  217   1HB   LYS  26          2HB       LYS  26   6.488 -14.894 -13.232
  218   2HB   LYS  26          3HB       LYS  26   7.833 -14.210 -14.130
  219   1HG   LYS  26          2HG       LYS  26   8.615 -13.116 -12.060
  220   2HG   LYS  26          3HG       LYS  26   7.303 -13.908 -11.180
  221   1HD   LYS  26          2HD       LYS  26   8.181 -16.089 -11.778
  222   2HD   LYS  26          3HD       LYS  26   9.444 -15.342 -12.753
  223   1HE   LYS  26          2HE       LYS  26  10.367 -16.045 -10.643
  224   2HE   LYS  26          3HE       LYS  26  10.347 -14.286 -10.712
  225   1HZ   LYS  26          1HZ       LYS  26   9.514 -14.638  -8.641
  226   2HZ   LYS  26          2HZ       LYS  26   8.773 -16.109  -9.046
  227   3HZ   LYS  26          3HZ       LYS  26   8.060 -14.647  -9.511
  228    H    LEU  27           HN       LEU  27   6.151 -11.379 -11.468
  229    HA   LEU  27           HA       LEU  27   3.283 -11.618 -11.102
  230   1HB   LEU  27          2HB       LEU  27   4.623 -13.681 -10.086
  231   2HB   LEU  27          3HB       LEU  27   4.980 -12.521  -8.816
  232    HG   LEU  27           HG       LEU  27   2.247 -13.533  -9.630
  233   1HD1  LEU  27          1HD1      LEU  27   2.301 -14.304  -7.201
  234   2HD1  LEU  27          2HD1      LEU  27   3.280 -15.194  -8.365
  235   3HD1  LEU  27          3HD1      LEU  27   4.040 -14.029  -7.281
  236   1HD2  LEU  27          1HD2      LEU  27   2.996 -11.463  -7.575
  237   2HD2  LEU  27          2HD2      LEU  27   1.978 -11.242  -8.998
  238   3HD2  LEU  27          3HD2      LEU  27   1.424 -12.256  -7.666
  239    HA   PRO  28           HA       PRO  28   4.818  -7.616  -9.656
  240   1HB   PRO  28          2HB       PRO  28   2.381  -6.432  -9.441
  241   2HB   PRO  28          3HB       PRO  28   3.243  -6.604 -10.964
  242   1HG   PRO  28          2HG       PRO  28   1.006  -8.218  -9.829
  243   2HG   PRO  28          3HG       PRO  28   1.273  -7.685 -11.499
  244   1HD   PRO  28          2HD       PRO  28   1.810 -10.188 -10.650
  245   2HD   PRO  28          3HD       PRO  28   2.725  -9.396 -11.943
  246    H    SER  29           HN       SER  29   3.722  -9.930  -7.812
  247    HA   SER  29           HA       SER  29   4.065  -8.501  -5.394
  248   1HB   SER  29          2HB       SER  29   1.868  -9.237  -4.419
  249   2HB   SER  29          3HB       SER  29   1.781  -7.932  -5.594
  250    HG   SER  29           HG       SER  29   0.667  -9.181  -6.889
  251    H    CYS  30           HN       CYS  30   5.594 -10.318  -6.365
  252    HA   CYS  30           HA       CYS  30   5.007 -13.024  -5.901
  253   1HB   CYS  30          2HB       CYS  30   6.739 -12.112  -7.435
  254   2HB   CYS  30          3HB       CYS  30   7.685 -11.671  -6.021
  255    HG   CYS  30           HG       CYS  30   7.100 -14.751  -7.315
  256    H    GLY  31           HN       GLY  31   4.195 -12.005  -3.565
  257   1HA   GLY  31          1HA       GLY  31   5.853 -13.398  -1.661
  258   2HA   GLY  31          2HA       GLY  31   5.801 -11.659  -1.399
  259    H    PHE  32           HN       PHE  32   4.598 -11.479   0.434
  260    HA   PHE  32           HA       PHE  32   2.262 -13.116   0.845
  261   1HB   PHE  32          2HB       PHE  32   3.294 -10.726   2.369
  262   2HB   PHE  32          3HB       PHE  32   1.821 -11.588   2.796
  263    HD1  PHE  32           1HD      PHE  32   5.466 -12.105   2.277
  264    HD2  PHE  32           2HD      PHE  32   1.875 -13.384   4.157
  265    HE1  PHE  32           1HE      PHE  32   6.757 -13.735   3.604
  266    HE2  PHE  32           2HE      PHE  32   3.157 -15.010   5.506
  267    HZ   PHE  32           HZ       PHE  32   5.600 -15.185   5.227
  268    H    SER  33           HN       SER  33   2.889  -9.808  -0.115
  269    HA   SER  33           HA       SER  33   0.311  -8.827   0.077
  270   1HB   SER  33          2HB       SER  33   2.355  -7.473  -0.336
  271   2HB   SER  33          3HB       SER  33   2.337  -8.030  -2.009
  272    HG   SER  33           HG       SER  33   0.074  -7.170  -1.970
  273    H    ALA  34           HN       ALA  34   1.404 -11.252  -1.963
  274    HA   ALA  34           HA       ALA  34  -0.033 -10.947  -4.319
  275   1HB   ALA  34          1HB       ALA  34   1.051 -13.238  -2.792
  276   2HB   ALA  34          2HB       ALA  34  -0.171 -13.597  -4.012
  277   3HB   ALA  34          3HB       ALA  34   1.315 -12.764  -4.470
  278    H    GLN  35           HN       GLN  35  -1.136 -12.287  -1.173
  279    HA   GLN  35           HA       GLN  35  -3.748 -12.736  -2.317
  280   1HB   GLN  35          2HB       GLN  35  -4.343 -13.877  -0.425
  281   2HB   GLN  35          3HB       GLN  35  -2.597 -14.052  -0.330
  282   1HG   GLN  35          2HG       GLN  35  -4.075 -11.899   1.136
  283   2HG   GLN  35          3HG       GLN  35  -3.817 -13.507   1.799
  284   1HE2  GLN  35          1HE2      GLN  35  -2.667 -10.450   1.652
  285   2HE2  GLN  35          2HE2      GLN  35  -1.039 -10.741   2.156
  286    H    ALA  36           HN       ALA  36  -2.136 -10.288  -0.462
  287    HA   ALA  36           HA       ALA  36  -4.372  -8.870   0.492
  288   1HB   ALA  36          1HB       ALA  36  -2.821  -7.077   0.968
  289   2HB   ALA  36          2HB       ALA  36  -2.097  -8.629   1.395
  290   3HB   ALA  36          3HB       ALA  36  -1.612  -7.808  -0.089
  291    H    VAL  37           HN       VAL  37  -2.418  -8.469  -2.421
  292    HA   VAL  37           HA       VAL  37  -3.485  -6.100  -3.401
  293    HB   VAL  37           HB       VAL  37  -1.523  -7.205  -4.372
  294   1HG1  VAL  37          1HG1      VAL  37  -2.321  -9.517  -4.276
  295   2HG1  VAL  37          2HG1      VAL  37  -3.432  -9.173  -5.604
  296   3HG1  VAL  37          3HG1      VAL  37  -1.690  -9.085  -5.867
  297   1HG2  VAL  37          1HG2      VAL  37  -3.491  -7.063  -6.619
  298   2HG2  VAL  37          2HG2      VAL  37  -3.083  -5.611  -5.695
  299   3HG2  VAL  37          3HG2      VAL  37  -1.818  -6.498  -6.552
  300    H    GLN  38           HN       GLN  38  -4.694  -9.379  -3.599
  301    HA   GLN  38           HA       GLN  38  -6.763  -8.938  -5.454
  302   1HB   GLN  38          2HB       GLN  38  -6.874 -10.971  -3.232
  303   2HB   GLN  38          3HB       GLN  38  -7.565 -11.084  -4.844
  304   1HG   GLN  38          2HG       GLN  38  -4.642 -11.178  -4.124
  305   2HG   GLN  38          3HG       GLN  38  -5.646 -12.529  -4.643
  306   1HE2  GLN  38          1HE2      GLN  38  -6.784 -10.183  -6.523
  307   2HE2  GLN  38          2HE2      GLN  38  -5.703 -10.269  -7.865
  308    H    ALA  39           HN       ALA  39  -6.707  -8.907  -1.912
  309    HA   ALA  39           HA       ALA  39  -9.426  -8.404  -1.443
  310   1HB   ALA  39          1HB       ALA  39  -7.036  -8.527   0.084
  311   2HB   ALA  39          2HB       ALA  39  -7.889  -7.043   0.514
  312   3HB   ALA  39          3HB       ALA  39  -8.710  -8.600   0.644
  313    H    LEU  40           HN       LEU  40  -6.726  -6.148  -1.939
  314    HA   LEU  40           HA       LEU  40  -8.099  -3.785  -1.328
  315   1HB   LEU  40          2HB       LEU  40  -5.561  -4.397  -2.034
  316   2HB   LEU  40          3HB       LEU  40  -6.135  -3.683  -3.519
  317    HG   LEU  40           HG       LEU  40  -5.984  -2.361  -0.817
  318   1HD1  LEU  40          1HD1      LEU  40  -4.066  -2.647  -2.741
  319   2HD1  LEU  40          2HD1      LEU  40  -4.747  -1.059  -3.107
  320   3HD1  LEU  40          3HD1      LEU  40  -4.106  -1.397  -1.499
  321   1HD2  LEU  40          1HD2      LEU  40  -7.731  -1.754  -3.030
  322   2HD2  LEU  40          2HD2      LEU  40  -7.663  -1.042  -1.416
  323   3HD2  LEU  40          3HD2      LEU  40  -6.623  -0.420  -2.704
  324    H    ALA  41           HN       ALA  41  -7.334  -5.154  -4.509
  325    HA   ALA  41           HA       ALA  41  -8.776  -3.330  -6.054
  326   1HB   ALA  41          1HB       ALA  41  -8.765  -5.960  -7.247
  327   2HB   ALA  41          2HB       ALA  41  -7.908  -4.500  -7.740
  328   3HB   ALA  41          3HB       ALA  41  -7.195  -5.578  -6.539
  329    H    ALA  42           HN       ALA  42  -9.707  -6.211  -4.366
  330    HA   ALA  42           HA       ALA  42 -12.268  -6.495  -5.614
  331   1HB   ALA  42          1HB       ALA  42 -12.748  -8.132  -3.913
  332   2HB   ALA  42          2HB       ALA  42 -11.099  -8.360  -4.500
  333   3HB   ALA  42          3HB       ALA  42 -11.381  -7.576  -2.945
  334    H    CYS  43           HN       CYS  43 -11.232  -5.173  -2.482
  335    HA   CYS  43           HA       CYS  43 -13.876  -4.545  -1.691
  336   1HB   CYS  43          2HB       CYS  43 -12.838  -3.505   0.256
  337   2HB   CYS  43          3HB       CYS  43 -12.141  -5.067  -0.082
  338    HG   CYS  43           HG       CYS  43  -9.747  -4.200  -0.977
  339    H    GLY  44           HN       GLY  44 -11.158  -2.473  -2.691
  340   1HA   GLY  44          1HA       GLY  44 -12.964  -0.172  -2.688
  341   2HA   GLY  44          2HA       GLY  44 -11.210  -0.116  -2.701
  342    H    GLU  45           HN       GLU  45 -10.628   0.943  -4.380
  343    HA   GLU  45           HA       GLU  45 -11.769   0.337  -7.013
  344   1HB   GLU  45          2HB       GLU  45 -11.501   2.797  -7.501
  345   2HB   GLU  45          3HB       GLU  45 -12.738   2.409  -6.316
  346   1HG   GLU  45          2HG       GLU  45 -11.772   4.112  -5.215
  347   2HG   GLU  45          3HG       GLU  45 -10.722   2.824  -4.645
  348    H    ARG  46           HN       ARG  46  -9.950   2.376  -8.217
  349    HA   ARG  46           HA       ARG  46  -7.715   0.673  -8.681
  350   1HB   ARG  46          2HB       ARG  46  -8.139   3.598  -9.298
  351   2HB   ARG  46          3HB       ARG  46  -6.786   2.641  -9.887
  352   1HG   ARG  46          2HG       ARG  46  -9.677   2.027 -10.441
  353   2HG   ARG  46          3HG       ARG  46  -8.602   2.899 -11.526
  354   1HD   ARG  46          2HD       ARG  46  -8.163   0.087 -10.537
  355   2HD   ARG  46          3HD       ARG  46  -8.815   0.515 -12.117
  356    HE   ARG  46           HE       ARG  46  -6.082   0.432 -11.384
  357   1HH1  ARG  46          2HH1      ARG  46  -8.338   2.235 -13.368
  358   2HH1  ARG  46          1HH1      ARG  46  -7.104   2.874 -14.415
  359   1HH2  ARG  46          2HH2      ARG  46  -4.464   1.250 -12.758
  360   2HH2  ARG  46          1HH2      ARG  46  -4.906   2.275 -14.094
  361    H    PHE  47           HN       PHE  47  -5.521   1.040  -8.192
  362    HA   PHE  47           HA       PHE  47  -4.864   2.836  -6.015
  363   1HB   PHE  47          2HB       PHE  47  -4.318   1.120  -4.418
  364   2HB   PHE  47          3HB       PHE  47  -5.989   0.908  -4.914
  365    HD1  PHE  47           1HD      PHE  47  -2.549  -0.395  -5.433
  366    HD2  PHE  47           2HD      PHE  47  -6.740  -1.120  -5.766
  367    HE1  PHE  47           1HE      PHE  47  -2.099  -2.774  -5.889
  368    HE2  PHE  47           2HE      PHE  47  -6.286  -3.499  -6.225
  369    HZ   PHE  47           HZ       PHE  47  -3.969  -4.323  -6.299
  370    H    ALA  48           HN       ALA  48  -2.620   2.958  -5.648
  371    HA   ALA  48           HA       ALA  48  -1.032   1.788  -7.808
  372   1HB   ALA  48          1HB       ALA  48   0.681   3.454  -7.237
  373   2HB   ALA  48          2HB       ALA  48  -0.855   4.195  -7.685
  374   3HB   ALA  48          3HB       ALA  48  -0.385   4.098  -5.988
  375    H    TYR  49           HN       TYR  49   0.799   0.609  -7.400
  376    HA   TYR  49           HA       TYR  49   1.183  -0.183  -4.588
  377   1HB   TYR  49          2HB       TYR  49   1.312  -2.447  -5.175
  378   2HB   TYR  49          3HB       TYR  49   0.033  -1.881  -6.244
  379    HD1  TYR  49           1HD      TYR  49   0.300  -2.024  -8.617
  380    HD2  TYR  49           2HD      TYR  49   3.574  -2.735  -6.016
  381    HE1  TYR  49           1HE      TYR  49   1.607  -2.910 -10.514
  382    HE2  TYR  49           2HE      TYR  49   4.909  -3.580  -7.888
  383    HH   TYR  49           HH       TYR  49   5.011  -3.510 -10.274
  384    H    VAL  50           HN       VAL  50   3.402  -0.801  -4.112
  385    HA   VAL  50           HA       VAL  50   5.369   0.109  -6.105
  386    HB   VAL  50           HB       VAL  50   5.505   0.696  -3.125
  387   1HG1  VAL  50          1HG1      VAL  50   7.482   0.673  -5.194
  388   2HG1  VAL  50          2HG1      VAL  50   7.268   2.316  -4.590
  389   3HG1  VAL  50          3HG1      VAL  50   7.667   1.011  -3.473
  390   1HG2  VAL  50          1HG2      VAL  50   4.070   2.341  -3.640
  391   2HG2  VAL  50          2HG2      VAL  50   5.485   3.121  -4.350
  392   3HG2  VAL  50          3HG2      VAL  50   4.373   2.209  -5.372
  393    H    ASP  51           HN       ASP  51   6.983  -1.255  -6.419
  394    HA   ASP  51           HA       ASP  51   7.138  -3.700  -4.917
  395   1HB   ASP  51          2HB       ASP  51   9.039  -4.234  -6.402
  396   2HB   ASP  51          3HB       ASP  51   7.597  -3.780  -7.302
  397    H    ILE  52           HN       ILE  52   8.457  -4.170  -3.310
  398    HA   ILE  52           HA       ILE  52  10.737  -2.498  -2.697
  399    HB   ILE  52           HB       ILE  52   9.786  -2.505  -0.211
  400   1HG1  ILE  52          2HG1      ILE  52   7.402  -1.718  -0.351
  401   2HG1  ILE  52          3HG1      ILE  52   7.382  -2.322  -2.004
  402   1HG2  ILE  52          1HG2      ILE  52   8.677  -0.231  -1.521
  403   2HG2  ILE  52          2HG2      ILE  52  10.127  -0.357  -0.519
  404   3HG2  ILE  52          3HG2      ILE  52  10.227  -0.656  -2.257
  405   1HD1  ILE  52          1HD1      ILE  52   8.335  -4.368  -0.293
  406   2HD1  ILE  52          2HD1      ILE  52   6.835  -3.706   0.366
  407   3HD1  ILE  52          3HD1      ILE  52   6.875  -4.328  -1.284
  408    H    LEU  53           HN       LEU  53   8.912  -5.445  -2.092
  409    HA   LEU  53           HA       LEU  53  11.063  -6.615  -0.555
  410   1HB   LEU  53          2HB       LEU  53   8.856  -7.991  -2.089
  411   2HB   LEU  53          3HB       LEU  53  10.072  -8.819  -1.147
  412    HG   LEU  53           HG       LEU  53   8.318  -8.828   0.309
  413   1HD1  LEU  53          1HD1      LEU  53  10.086  -7.891   1.528
  414   2HD1  LEU  53          2HD1      LEU  53   9.811  -6.291   0.834
  415   3HD1  LEU  53          3HD1      LEU  53   8.643  -6.974   1.966
  416   1HD2  LEU  53          1HD2      LEU  53   6.726  -6.985   0.630
  417   2HD2  LEU  53          2HD2      LEU  53   7.542  -6.087  -0.648
  418   3HD2  LEU  53          3HD2      LEU  53   6.732  -7.608  -1.023
  419    H    GLN  54           HN       GLN  54  10.689  -5.572  -3.657
  420    HA   GLN  54           HA       GLN  54  12.603  -7.465  -4.785
  421   1HB   GLN  54          2HB       GLN  54  10.603  -6.957  -6.144
  422   2HB   GLN  54          3HB       GLN  54  11.019  -5.250  -6.122
  423   1HG   GLN  54          2HG       GLN  54  12.927  -7.253  -7.256
  424   2HG   GLN  54          3HG       GLN  54  11.559  -6.686  -8.205
  425   1HE2  GLN  54          1HE2      GLN  54  11.981  -4.048  -6.607
  426   2HE2  GLN  54          2HE2      GLN  54  13.229  -3.255  -7.492
  427    H    ASN  55           HN       ASN  55  12.193  -3.942  -4.249
  428    HA   ASN  55           HA       ASN  55  14.932  -3.346  -4.926
  429   1HB   ASN  55          2HB       ASN  55  12.844  -1.699  -3.482
  430   2HB   ASN  55          3HB       ASN  55  14.441  -1.110  -3.931
  431   1HD2  ASN  55          1HD2      ASN  55  11.339  -0.962  -4.789
  432   2HD2  ASN  55          2HD2      ASN  55  11.497  -0.744  -6.498
  433    HA   PRO  56           HA       PRO  56  16.521  -4.683  -1.010
  434   1HB   PRO  56          2HB       PRO  56  19.053  -3.729  -1.343
  435   2HB   PRO  56          3HB       PRO  56  18.464  -5.225  -2.075
  436   1HG   PRO  56          2HG       PRO  56  18.793  -2.520  -3.292
  437   2HG   PRO  56          3HG       PRO  56  19.115  -4.115  -3.993
  438   1HD   PRO  56          2HD       PRO  56  16.880  -2.663  -4.545
  439   2HD   PRO  56          3HD       PRO  56  16.923  -4.438  -4.580
  440    H    ASP  57           HN       ASP  57  17.251  -1.388  -2.162
  441    HA   ASP  57           HA       ASP  57  17.931  -0.455   0.453
  442   1HB   ASP  57          2HB       ASP  57  17.316   1.135  -2.044
  443   2HB   ASP  57          3HB       ASP  57  18.075   1.770  -0.588
  444    H    ILE  58           HN       ILE  58  15.201   0.293  -1.683
  445    HA   ILE  58           HA       ILE  58  13.855   2.015   0.054
  446    HB   ILE  58           HB       ILE  58  12.536   0.238  -2.017
  447   1HG1  ILE  58          2HG1      ILE  58  13.849   2.951  -2.367
  448   2HG1  ILE  58          3HG1      ILE  58  14.484   1.427  -2.976
  449   1HG2  ILE  58          1HG2      ILE  58  11.387   1.937  -0.224
  450   2HG2  ILE  58          2HG2      ILE  58  11.639   3.007  -1.604
  451   3HG2  ILE  58          3HG2      ILE  58  10.699   1.526  -1.796
  452   1HD1  ILE  58          1HD1      ILE  58  12.014   1.421  -4.073
  453   2HD1  ILE  58          2HD1      ILE  58  12.363   3.149  -4.032
  454   3HD1  ILE  58          3HD1      ILE  58  13.461   2.049  -4.866
  455    H    ARG  59           HN       ARG  59  13.882  -1.418  -0.223
  456    HA   ARG  59           HA       ARG  59  11.664  -2.286   1.164
  457   1HB   ARG  59          2HB       ARG  59  13.353  -3.658  -0.065
  458   2HB   ARG  59          3HB       ARG  59  14.451  -3.443   1.286
  459   1HG   ARG  59          2HG       ARG  59  12.779  -4.587   2.735
  460   2HG   ARG  59          3HG       ARG  59  11.835  -4.927   1.280
  461   1HD   ARG  59          2HD       ARG  59  14.630  -5.851   1.916
  462   2HD   ARG  59          3HD       ARG  59  13.183  -6.844   1.743
  463    HE   ARG  59           HE       ARG  59  13.546  -5.476  -0.656
  464   1HH1  ARG  59          2HH1      ARG  59  15.189  -7.901   1.249
  465   2HH1  ARG  59          1HH1      ARG  59  15.978  -8.634  -0.113
  466   1HH2  ARG  59          2HH2      ARG  59  14.592  -6.437  -2.467
  467   2HH2  ARG  59          1HH2      ARG  59  15.634  -7.798  -2.225
  468    H    ALA  60           HN       ALA  60  14.707  -1.071   2.394
  469    HA   ALA  60           HA       ALA  60  14.162  -2.041   5.040
  470   1HB   ALA  60          1HB       ALA  60  16.512  -0.443   4.972
  471   2HB   ALA  60          2HB       ALA  60  16.361  -2.193   5.118
  472   3HB   ALA  60          3HB       ALA  60  16.461  -1.448   3.523
  473    H    GLU  61           HN       GLU  61  14.767   1.169   3.654
  474    HA   GLU  61           HA       GLU  61  14.842   2.358   6.180
  475   1HB   GLU  61          2HB       GLU  61  14.589   3.652   3.473
  476   2HB   GLU  61          3HB       GLU  61  14.992   4.500   4.960
  477   1HG   GLU  61          2HG       GLU  61  16.610   2.287   3.720
  478   2HG   GLU  61          3HG       GLU  61  16.972   4.010   3.621
  479    H    LEU  62           HN       LEU  62  12.342   2.882   3.655
  480    HA   LEU  62           HA       LEU  62  10.890   4.585   5.355
  481   1HB   LEU  62          2HB       LEU  62   9.175   4.662   3.714
  482   2HB   LEU  62          3HB       LEU  62  10.727   4.718   2.899
  483    HG   LEU  62           HG       LEU  62  10.329   2.146   2.573
  484   1HD1  LEU  62          1HD1      LEU  62   7.645   2.144   2.194
  485   2HD1  LEU  62          2HD1      LEU  62   8.469   1.455   3.596
  486   3HD1  LEU  62          3HD1      LEU  62   7.787   3.081   3.684
  487   1HD2  LEU  62          1HD2      LEU  62   8.587   2.915   0.685
  488   2HD2  LEU  62          2HD2      LEU  62   9.293   4.474   1.135
  489   3HD2  LEU  62          3HD2      LEU  62  10.334   3.162   0.577
  490    HA   PRO  63           HA       PRO  63   7.988   0.684   6.091
  491   1HB   PRO  63          2HB       PRO  63   9.503  -1.485   6.834
  492   2HB   PRO  63          3HB       PRO  63   8.800  -1.270   5.226
  493   1HG   PRO  63          2HG       PRO  63  11.563  -0.611   6.178
  494   2HG   PRO  63          3HG       PRO  63  11.065  -1.471   4.707
  495   1HD   PRO  63          2HD       PRO  63  11.740   1.070   4.554
  496   2HD   PRO  63          3HD       PRO  63  10.299   0.485   3.683
  497    H    LYS  64           HN       LYS  64  11.222   0.889   7.559
  498    HA   LYS  64           HA       LYS  64  10.419   0.478  10.225
  499   1HB   LYS  64          2HB       LYS  64  12.747   2.089   9.168
  500   2HB   LYS  64          3HB       LYS  64  12.498   1.692  10.861
  501   1HG   LYS  64          2HG       LYS  64  12.539  -0.743  10.144
  502   2HG   LYS  64          3HG       LYS  64  13.147  -0.163   8.593
  503   1HD   LYS  64          2HD       LYS  64  14.425   0.403  11.270
  504   2HD   LYS  64          3HD       LYS  64  14.945  -0.859  10.158
  505   1HE   LYS  64          2HE       LYS  64  14.859   2.067   9.453
  506   2HE   LYS  64          3HE       LYS  64  16.288   1.255  10.085
  507   1HZ   LYS  64          1HZ       LYS  64  16.425  -0.100   8.183
  508   2HZ   LYS  64          2HZ       LYS  64  16.157   1.470   7.600
  509   3HZ   LYS  64          3HZ       LYS  64  14.884   0.348   7.638
  510    H    TYR  65           HN       TYR  65  10.393   3.280   8.142
  511    HA   TYR  65           HA       TYR  65   9.811   5.168  10.165
  512   1HB   TYR  65          2HB       TYR  65  10.019   6.667   8.509
  513   2HB   TYR  65          3HB       TYR  65  10.400   5.325   7.454
  514    HD1  TYR  65           1HD      TYR  65   9.458   5.666   5.343
  515    HD2  TYR  65           2HD      TYR  65   7.169   6.707   8.798
  516    HE1  TYR  65           1HE      TYR  65   7.578   6.341   3.913
  517    HE2  TYR  65           2HE      TYR  65   5.296   7.343   7.361
  518    HH   TYR  65           HH       TYR  65   4.740   7.931   5.235
  519    H    ALA  66           HN       ALA  66   7.746   3.060   8.116
  520    HA   ALA  66           HA       ALA  66   5.346   4.364   8.892
  521   1HB   ALA  66          1HB       ALA  66   5.239   1.514   8.151
  522   2HB   ALA  66          2HB       ALA  66   4.366   2.913   7.489
  523   3HB   ALA  66          3HB       ALA  66   6.029   2.597   6.992
  524    H    ASN  67           HN       ASN  67   6.759   1.252   9.825
  525    HA   ASN  67           HA       ASN  67   6.223   1.595  12.544
  526   1HB   ASN  67          2HB       ASN  67   3.879   1.243  11.884
  527   2HB   ASN  67          3HB       ASN  67   4.311  -0.292  11.147
  528   1HD2  ASN  67          1HD2      ASN  67   3.032   1.131  13.793
  529   2HD2  ASN  67          2HD2      ASN  67   3.258  -0.138  14.954
  530    H    TRP  68           HN       TRP  68   6.411  -0.849   9.980
  531    HA   TRP  68           HA       TRP  68   8.204  -2.313  11.710
  532   1HB   TRP  68          2HB       TRP  68   7.269  -4.340  11.020
  533   2HB   TRP  68          3HB       TRP  68   6.068  -3.286  11.699
  534    HD1  TRP  68           1HD      TRP  68   6.950  -5.237   8.680
  535    HE1  TRP  68           1HE      TRP  68   4.879  -5.261   7.095
  536    HE3  TRP  68           3HE      TRP  68   4.379  -1.509  10.826
  537    HZ2  TRP  68           2HZ      TRP  68   2.434  -3.811   6.857
  538    HZ3  TRP  68           3HZ      TRP  68   2.177  -0.863   9.921
  539    HH2  TRP  68           2HH      TRP  68   1.248  -1.973   7.961
  540    HA   PRO  69           HA       PRO  69  11.740  -2.484   9.457
  541   1HB   PRO  69          2HB       PRO  69  11.279  -5.446   9.398
  542   2HB   PRO  69          3HB       PRO  69  12.778  -4.553   9.696
  543   1HG   PRO  69          2HG       PRO  69  11.320  -5.476  11.727
  544   2HG   PRO  69          3HG       PRO  69  12.131  -3.902  11.817
  545   1HD   PRO  69          2HD       PRO  69   9.261  -4.515  11.607
  546   2HD   PRO  69          3HD       PRO  69  10.060  -3.031  12.159
  547    H    THR  70           HN       THR  70   9.278  -4.595   7.885
  548    HA   THR  70           HA       THR  70  10.299  -3.568   5.350
  549    HB   THR  70           HB       THR  70  10.095  -5.896   4.364
  550    HG1  THR  70           1HG      THR  70  10.650  -6.991   6.862
  551   1HG2  THR  70          1HG2      THR  70  12.251  -5.167   6.335
  552   2HG2  THR  70          2HG2      THR  70  12.267  -5.004   4.577
  553   3HG2  THR  70          3HG2      THR  70  12.353  -6.605   5.314
  554    H    PHE  71           HN       PHE  71   8.513  -5.916   4.265
  555    HA   PHE  71           HA       PHE  71   5.915  -4.579   4.571
  556   1HB   PHE  71          2HB       PHE  71   7.268  -5.096   1.907
  557   2HB   PHE  71          3HB       PHE  71   5.700  -4.338   2.133
  558    HD1  PHE  71           1HD      PHE  71   5.547  -1.977   2.572
  559    HD2  PHE  71           2HD      PHE  71   9.334  -3.923   2.556
  560    HE1  PHE  71           1HE      PHE  71   6.674   0.220   2.559
  561    HE2  PHE  71           2HE      PHE  71  10.451  -1.747   2.529
  562    HZ   PHE  71           HZ       PHE  71   9.128   0.309   2.521
  563    HA   PRO  72           HA       PRO  72   4.598  -5.192   1.693
  564   1HB   PRO  72          2HB       PRO  72   1.971  -5.987   1.873
  565   2HB   PRO  72          3HB       PRO  72   3.117  -6.599   0.678
  566   1HG   PRO  72          2HG       PRO  72   2.192  -7.820   3.235
  567   2HG   PRO  72          3HG       PRO  72   2.567  -8.596   1.687
  568   1HD   PRO  72          2HD       PRO  72   4.243  -8.666   3.809
  569   2HD   PRO  72          3HD       PRO  72   4.821  -8.679   2.132
  570    H    GLN  73           HN       GLN  73   3.335  -3.369   1.933
  571    HA   GLN  73           HA       GLN  73   1.937  -2.982   4.464
  572   1HB   GLN  73          2HB       GLN  73   3.937  -0.990   3.403
  573   2HB   GLN  73          3HB       GLN  73   2.860  -0.721   4.756
  574   1HG   GLN  73          2HG       GLN  73   3.977  -2.556   5.965
  575   2HG   GLN  73          3HG       GLN  73   5.109  -2.710   4.617
  576   1HE2  GLN  73          1HE2      GLN  73   4.474   0.446   4.646
  577   2HE2  GLN  73          2HE2      GLN  73   5.711   1.017   5.702
  578    H    LEU  74           HN       LEU  74   0.095  -1.988   4.180
  579    HA   LEU  74           HA       LEU  74  -0.586  -0.887   1.555
  580   1HB   LEU  74          2HB       LEU  74  -1.976  -2.678   2.629
  581   2HB   LEU  74          3HB       LEU  74  -2.380  -1.542   3.895
  582    HG   LEU  74           HG       LEU  74  -4.162  -1.857   2.180
  583   1HD1  LEU  74          1HD1      LEU  74  -2.969   0.866   2.580
  584   2HD1  LEU  74          2HD1      LEU  74  -4.484   0.622   1.710
  585   3HD1  LEU  74          3HD1      LEU  74  -4.350   0.135   3.402
  586   1HD2  LEU  74          1HD2      LEU  74  -2.015  -0.756   0.415
  587   2HD2  LEU  74          2HD2      LEU  74  -3.049  -2.166   0.171
  588   3HD2  LEU  74          3HD2      LEU  74  -3.722  -0.541   0.025
  589    H    TRP  75           HN       TRP  75  -1.168   1.227   1.285
  590    HA   TRP  75           HA       TRP  75  -1.227   2.942   3.676
  591   1HB   TRP  75          2HB       TRP  75   0.106   3.572   1.045
  592   2HB   TRP  75          3HB       TRP  75  -0.128   4.721   2.356
  593    HD1  TRP  75           1HD      TRP  75   1.756   1.377   1.733
  594    HE1  TRP  75           1HE      TRP  75   3.846   1.399   3.251
  595    HE3  TRP  75           3HE      TRP  75   0.847   5.699   4.242
  596    HZ2  TRP  75           2HZ      TRP  75   4.923   3.063   5.301
  597    HZ3  TRP  75           3HZ      TRP  75   2.435   6.439   5.966
  598    HH2  TRP  75           2HH      TRP  75   4.428   5.144   6.482
  599    H    VAL  76           HN       VAL  76  -2.963   4.140   3.814
  600    HA   VAL  76           HA       VAL  76  -4.654   4.526   1.424
  601    HB   VAL  76           HB       VAL  76  -5.457   4.488   4.345
  602   1HG1  VAL  76          1HG1      VAL  76  -7.786   4.248   3.185
  603   2HG1  VAL  76          2HG1      VAL  76  -7.054   5.840   3.418
  604   3HG1  VAL  76          3HG1      VAL  76  -6.967   5.053   1.843
  605   1HG2  VAL  76          1HG2      VAL  76  -6.371   2.363   4.015
  606   2HG2  VAL  76          2HG2      VAL  76  -6.208   2.471   2.262
  607   3HG2  VAL  76          3HG2      VAL  76  -4.772   2.299   3.273
  608    H    ASP  77           HN       ASP  77  -4.585   6.613   0.693
  609    HA   ASP  77           HA       ASP  77  -4.297   8.887   0.633
  610   1HB   ASP  77          2HB       ASP  77  -6.326   8.696   2.071
  611   2HB   ASP  77          3HB       ASP  77  -5.259   8.690   3.468
  612    H    GLY  78           HN       GLY  78  -2.241   7.149   1.396
  613   1HA   GLY  78          1HA       GLY  78   0.010   7.302   1.898
  614   2HA   GLY  78          2HA       GLY  78  -0.246   8.994   2.280
  615    H    GLU  79           HN       GLU  79  -2.099   6.469   3.833
  616    HA   GLU  79           HA       GLU  79  -0.507   6.873   6.262
  617   1HB   GLU  79          2HB       GLU  79  -3.477   6.400   6.134
  618   2HB   GLU  79          3HB       GLU  79  -2.525   6.497   7.606
  619   1HG   GLU  79          2HG       GLU  79  -1.895   8.825   6.927
  620   2HG   GLU  79          3HG       GLU  79  -3.089   8.689   5.635
  621    H    LEU  80           HN       LEU  80   0.215   5.137   7.287
  622    HA   LEU  80           HA       LEU  80   0.233   2.646   5.993
  623   1HB   LEU  80          2HB       LEU  80   2.077   3.319   7.370
  624   2HB   LEU  80          3HB       LEU  80   1.036   3.478   8.780
  625    HG   LEU  80           HG       LEU  80   0.610   0.957   8.494
  626   1HD1  LEU  80          1HD1      LEU  80   2.707   1.420   6.487
  627   2HD1  LEU  80          2HD1      LEU  80   2.949   0.036   7.565
  628   3HD1  LEU  80          3HD1      LEU  80   1.478   0.155   6.588
  629   1HD2  LEU  80          1HD2      LEU  80   1.752   1.464  10.400
  630   2HD2  LEU  80          2HD2      LEU  80   3.008   0.571   9.536
  631   3HD2  LEU  80          3HD2      LEU  80   3.022   2.337   9.541
  632    H    VAL  81           HN       VAL  81  -0.992   0.917   6.144
  633    HA   VAL  81           HA       VAL  81  -2.945   0.720   8.342
  634    HB   VAL  81           HB       VAL  81  -3.249  -0.241   5.483
  635   1HG1  VAL  81          1HG1      VAL  81  -4.872  -0.796   7.941
  636   2HG1  VAL  81          2HG1      VAL  81  -5.616  -0.808   6.341
  637   3HG1  VAL  81          3HG1      VAL  81  -4.296  -1.920   6.710
  638   1HG2  VAL  81          1HG2      VAL  81  -3.898   1.933   5.318
  639   2HG2  VAL  81          2HG2      VAL  81  -5.418   1.244   5.897
  640   3HG2  VAL  81          3HG2      VAL  81  -4.326   2.051   7.027
  641    H    GLY  82           HN       GLY  82  -1.138  -1.162   5.948
  642   1HA   GLY  82          1HA       GLY  82   0.506  -2.767   7.040
  643   2HA   GLY  82          2HA       GLY  82  -0.910  -3.415   7.846
  644    H    GLY  83           HN       GLY  83   1.094  -4.300   5.650
  645   1HA   GLY  83          1HA       GLY  83  -0.499  -4.431   3.306
  646   2HA   GLY  83          2HA       GLY  83   1.111  -5.084   3.498
  647    H    CYS  84           HN       CYS  84   1.006  -7.190   5.056
  648    HA   CYS  84           HA       CYS  84  -0.279  -8.953   3.277
  649   1HB   CYS  84          2HB       CYS  84   0.630 -10.748   4.813
  650   2HB   CYS  84          3HB       CYS  84   1.810  -9.635   4.135
  651    HG   CYS  84           HG       CYS  84   1.928 -10.501   7.051
  652    H    ASP  85           HN       ASP  85  -0.665  -9.048   6.817
  653    HA   ASP  85           HA       ASP  85  -3.090 -10.562   6.559
  654   1HB   ASP  85          2HB       ASP  85  -1.888  -9.272   9.022
  655   2HB   ASP  85          3HB       ASP  85  -3.148 -10.501   9.008
  656    H    ILE  86           HN       ILE  86  -2.243  -7.334   7.561
  657    HA   ILE  86           HA       ILE  86  -4.661  -6.563   8.572
  658    HB   ILE  86           HB       ILE  86  -2.539  -4.820   7.336
  659   1HG1  ILE  86          2HG1      ILE  86  -3.093  -5.841  10.137
  660   2HG1  ILE  86          3HG1      ILE  86  -1.737  -6.285   9.111
  661   1HG2  ILE  86          1HG2      ILE  86  -4.943  -3.884   7.740
  662   2HG2  ILE  86          2HG2      ILE  86  -4.504  -3.979   9.446
  663   3HG2  ILE  86          3HG2      ILE  86  -3.553  -2.982   8.346
  664   1HD1  ILE  86          1HD1      ILE  86  -1.896  -3.441   9.524
  665   2HD1  ILE  86          2HD1      ILE  86  -1.789  -4.334  11.039
  666   3HD1  ILE  86          3HD1      ILE  86  -0.556  -4.555   9.797
  667    H    VAL  87           HN       VAL  87  -3.539  -6.223   5.210
  668    HA   VAL  87           HA       VAL  87  -5.764  -4.779   4.251
  669    HB   VAL  87           HB       VAL  87  -3.982  -6.734   2.781
  670   1HG1  VAL  87          1HG1      VAL  87  -5.174  -4.836   1.039
  671   2HG1  VAL  87          2HG1      VAL  87  -5.346  -6.591   1.030
  672   3HG1  VAL  87          3HG1      VAL  87  -6.462  -5.599   1.969
  673   1HG2  VAL  87          1HG2      VAL  87  -2.976  -4.697   1.857
  674   2HG2  VAL  87          2HG2      VAL  87  -4.023  -3.725   2.891
  675   3HG2  VAL  87          3HG2      VAL  87  -2.810  -4.783   3.611
  676    H    ILE  88           HN       ILE  88  -5.137  -8.295   4.313
  677    HA   ILE  88           HA       ILE  88  -7.579  -9.038   3.167
  678    HB   ILE  88           HB       ILE  88  -5.814 -10.584   5.059
  679   1HG1  ILE  88          2HG1      ILE  88  -4.808 -10.027   2.885
  680   2HG1  ILE  88          3HG1      ILE  88  -5.118 -11.756   3.022
  681   1HG2  ILE  88          1HG2      ILE  88  -7.928 -11.590   5.300
  682   2HG2  ILE  88          2HG2      ILE  88  -8.304 -11.402   3.587
  683   3HG2  ILE  88          3HG2      ILE  88  -7.089 -12.573   4.100
  684   1HD1  ILE  88          1HD1      ILE  88  -7.386 -11.047   1.832
  685   2HD1  ILE  88          2HD1      ILE  88  -6.355  -9.736   1.251
  686   3HD1  ILE  88          3HD1      ILE  88  -5.913 -11.413   0.930
  687    H    GLU  89           HN       GLU  89  -6.672  -8.783   6.631
  688    HA   GLU  89           HA       GLU  89  -9.190  -9.632   7.547
  689   1HB   GLU  89          2HB       GLU  89  -7.154  -9.409   8.999
  690   2HB   GLU  89          3HB       GLU  89  -7.405  -7.667   8.985
  691   1HG   GLU  89          2HG       GLU  89  -9.667  -8.013   9.994
  692   2HG   GLU  89          3HG       GLU  89  -9.297  -9.745  10.066
  693    H    MET  90           HN       MET  90  -7.940  -6.288   7.184
  694    HA   MET  90           HA       MET  90 -10.362  -5.043   7.834
  695   1HB   MET  90          2HB       MET  90  -8.026  -4.062   6.215
  696   2HB   MET  90          3HB       MET  90  -9.419  -3.046   6.564
  697   1HG   MET  90          2HG       MET  90  -9.018  -3.528   8.998
  698   2HG   MET  90          3HG       MET  90  -7.494  -4.271   8.515
  699   1HE   MET  90          1HE       MET  90  -6.341  -2.691  10.221
  700   2HE   MET  90          2HE       MET  90  -6.279  -0.934  10.095
  701   3HE   MET  90          3HE       MET  90  -7.765  -1.729  10.614
  702    H    TYR  91           HN       TYR  91  -9.274  -6.415   4.830
  703    HA   TYR  91           HA       TYR  91 -11.299  -5.433   3.117
  704   1HB   TYR  91          2HB       TYR  91  -9.558  -6.529   2.041
  705   2HB   TYR  91          3HB       TYR  91  -9.519  -7.835   3.215
  706    HD1  TYR  91           1HD      TYR  91 -10.253  -9.858   2.583
  707    HD2  TYR  91           2HD      TYR  91 -11.811  -6.471   0.559
  708    HE1  TYR  91           1HE      TYR  91 -11.425 -11.341   1.042
  709    HE2  TYR  91           2HE      TYR  91 -13.018  -7.944  -0.991
  710    HH   TYR  91           HH       TYR  91 -12.673 -11.479  -0.801
  711    H    GLN  92           HN       GLN  92 -11.081  -8.413   5.029
  712    HA   GLN  92           HA       GLN  92 -13.726  -9.279   4.526
  713   1HB   GLN  92          2HB       GLN  92 -11.928  -9.929   6.869
  714   2HB   GLN  92          3HB       GLN  92 -13.356 -10.834   6.386
  715   1HG   GLN  92          2HG       GLN  92 -12.273 -11.388   4.257
  716   2HG   GLN  92          3HG       GLN  92 -10.840 -10.496   4.767
  717   1HE2  GLN  92          1HE2      GLN  92 -11.987 -13.473   4.397
  718   2HE2  GLN  92          2HE2      GLN  92 -11.113 -14.306   5.635
  719    H    ARG  93           HN       ARG  93 -12.244  -7.344   7.052
  720    HA   ARG  93           HA       ARG  93 -14.380  -7.106   8.846
  721   1HB   ARG  93          2HB       ARG  93 -12.263  -5.053   8.167
  722   2HB   ARG  93          3HB       ARG  93 -13.289  -5.020   9.583
  723   1HG   ARG  93          2HG       ARG  93 -11.187  -7.075   8.956
  724   2HG   ARG  93          3HG       ARG  93 -11.063  -5.773  10.141
  725   1HD   ARG  93          2HD       ARG  93 -13.023  -6.765  11.289
  726   2HD   ARG  93          3HD       ARG  93 -12.923  -8.139  10.209
  727    HE   ARG  93           HE       ARG  93 -10.447  -7.664  11.503
  728   1HH1  ARG  93          2HH1      ARG  93 -13.629  -9.043  11.974
  729   2HH1  ARG  93          1HH1      ARG  93 -13.155  -9.989  13.359
  730   1HH2  ARG  93          2HH2      ARG  93  -9.819  -8.871  13.331
  731   2HH2  ARG  93          1HH2      ARG  93 -10.986  -9.866  14.152
  732    H    GLY  94           HN       GLY  94 -13.629  -5.452   5.866
  733   1HA   GLY  94          1HA       GLY  94 -15.224  -4.229   4.557
  734   2HA   GLY  94          2HA       GLY  94 -16.169  -3.972   6.020
  735    H    GLU  95           HN       GLU  95 -13.628  -3.427   7.498
  736    HA   GLU  95           HA       GLU  95 -13.715  -0.660   7.478
  737   1HB   GLU  95          2HB       GLU  95 -11.487  -2.457   8.425
  738   2HB   GLU  95          3HB       GLU  95 -11.649  -0.754   8.827
  739   1HG   GLU  95          2HG       GLU  95 -13.786  -1.229   9.926
  740   2HG   GLU  95          3HG       GLU  95 -13.583  -2.940   9.554
  741    H    LEU  96           HN       LEU  96 -11.696  -2.774   5.527
  742    HA   LEU  96           HA       LEU  96  -9.777  -0.804   4.787
  743   1HB   LEU  96          2HB       LEU  96  -9.374  -3.230   4.565
  744   2HB   LEU  96          3HB       LEU  96 -10.597  -3.309   3.313
  745    HG   LEU  96           HG       LEU  96  -9.217  -1.821   1.897
  746   1HD1  LEU  96          1HD1      LEU  96  -8.045  -0.750   3.856
  747   2HD1  LEU  96          2HD1      LEU  96  -7.050  -2.201   3.950
  748   3HD1  LEU  96          3HD1      LEU  96  -7.011  -1.197   2.499
  749   1HD2  LEU  96          1HD2      LEU  96  -7.235  -3.547   1.771
  750   2HD2  LEU  96          2HD2      LEU  96  -8.259  -4.459   2.880
  751   3HD2  LEU  96          3HD2      LEU  96  -8.871  -3.995   1.290
  752    H    GLN  97           HN       GLN  97 -12.489  -2.220   3.076
  753    HA   GLN  97           HA       GLN  97 -12.618  -0.358   0.965
  754   1HB   GLN  97          2HB       GLN  97 -15.052  -1.173   0.905
  755   2HB   GLN  97          3HB       GLN  97 -13.767  -2.296   0.537
  756   1HG   GLN  97          2HG       GLN  97 -13.921  -3.106   2.896
  757   2HG   GLN  97          3HG       GLN  97 -15.342  -2.081   3.083
  758   1HE2  GLN  97          1HE2      GLN  97 -14.387  -5.144   2.521
  759   2HE2  GLN  97          2HE2      GLN  97 -15.761  -5.731   1.654
  760    H    GLN  98           HN       GLN  98 -13.562  -0.113   4.281
  761    HA   GLN  98           HA       GLN  98 -15.377   2.083   3.954
  762   1HB   GLN  98          2HB       GLN  98 -13.880   0.990   6.326
  763   2HB   GLN  98          3HB       GLN  98 -14.888   2.413   6.439
  764   1HG   GLN  98          2HG       GLN  98 -15.835  -0.299   5.559
  765   2HG   GLN  98          3HG       GLN  98 -15.997   0.346   7.188
  766   1HE2  GLN  98          1HE2      GLN  98 -16.393   3.003   5.405
  767   2HE2  GLN  98          2HE2      GLN  98 -18.105   2.953   5.140
  768    H    LEU  99           HN       LEU  99 -12.021   1.892   5.177
  769    HA   LEU  99           HA       LEU  99 -11.740   4.714   5.127
  770   1HB   LEU  99          2HB       LEU  99  -9.293   4.222   5.549
  771   2HB   LEU  99          3HB       LEU  99 -10.449   3.705   6.754
  772    HG   LEU  99           HG       LEU  99 -10.293   1.395   5.741
  773   1HD1  LEU  99          1HD1      LEU  99  -7.832   2.529   4.441
  774   2HD1  LEU  99          2HD1      LEU  99  -8.346   0.842   4.444
  775   3HD1  LEU  99          3HD1      LEU  99  -9.305   2.054   3.596
  776   1HD2  LEU  99          1HD2      LEU  99  -8.094   0.943   6.840
  777   2HD2  LEU  99          2HD2      LEU  99  -7.909   2.685   7.042
  778   3HD2  LEU  99          3HD2      LEU  99  -9.247   1.843   7.827
  779    H    ILE 100           HN       ILE 100 -10.964   2.190   2.839
  780    HA   ILE 100           HA       ILE 100  -9.492   3.794   1.004
  781    HB   ILE 100           HB       ILE 100 -11.222   1.360   0.498
  782   1HG1  ILE 100          2HG1      ILE 100  -9.211   0.931   1.878
  783   2HG1  ILE 100          3HG1      ILE 100  -9.128   0.127   0.316
  784   1HG2  ILE 100          1HG2      ILE 100  -9.789   3.148  -1.356
  785   2HG2  ILE 100          2HG2      ILE 100  -9.557   1.416  -1.618
  786   3HG2  ILE 100          3HG2      ILE 100 -11.184   2.100  -1.629
  787   1HD1  ILE 100          1HD1      ILE 100  -7.724   2.109  -0.442
  788   2HD1  ILE 100          2HD1      ILE 100  -7.610   2.529   1.268
  789   3HD1  ILE 100          3HD1      ILE 100  -6.984   0.980   0.695
  790    H    LYS 101           HN       LYS 101 -12.946   3.112   1.466
  791    HA   LYS 101           HA       LYS 101 -14.040   4.260  -0.775
  792   1HB   LYS 101          2HB       LYS 101 -15.368   3.052   0.860
  793   2HB   LYS 101          3HB       LYS 101 -15.066   4.297   2.066
  794   1HG   LYS 101          2HG       LYS 101 -16.244   5.904   0.619
  795   2HG   LYS 101          3HG       LYS 101 -16.643   4.585  -0.470
  796   1HD   LYS 101          2HD       LYS 101 -17.470   4.817   2.420
  797   2HD   LYS 101          3HD       LYS 101 -18.506   5.092   1.021
  798   1HE   LYS 101          2HE       LYS 101 -18.094   2.737   0.338
  799   2HE   LYS 101          3HE       LYS 101 -17.212   2.500   1.848
  800   1HZ   LYS 101          1HZ       LYS 101 -20.077   2.795   1.393
  801   2HZ   LYS 101          2HZ       LYS 101 -19.460   3.498   2.801
  802   3HZ   LYS 101          3HZ       LYS 101 -19.255   1.836   2.527
  803    H    GLU 102           HN       GLU 102 -13.575   5.868   2.341
  804    HA   GLU 102           HA       GLU 102 -14.426   8.400   1.565
  805   1HB   GLU 102          2HB       GLU 102 -14.159   7.688   3.895
  806   2HB   GLU 102          3HB       GLU 102 -12.417   7.610   3.682
  807   1HG   GLU 102          2HG       GLU 102 -12.343  10.017   3.334
  808   2HG   GLU 102          3HG       GLU 102 -14.097  10.099   3.512
  809    H    THR 103           HN       THR 103 -11.197   7.017   1.662
  810    HA   THR 103           HA       THR 103  -9.785   9.301   0.835
  811    HB   THR 103           HB       THR 103  -9.048   6.394   0.565
  812    HG1  THR 103           1HG      THR 103  -9.314   6.690   2.702
  813   1HG2  THR 103          1HG2      THR 103  -7.320   8.853   0.651
  814   2HG2  THR 103          2HG2      THR 103  -7.634   7.865  -0.773
  815   3HG2  THR 103          3HG2      THR 103  -6.748   7.186   0.592
  816    H    ALA 104           HN       ALA 104 -10.795   6.431  -0.980
  817    HA   ALA 104           HA       ALA 104  -9.670   7.121  -3.431
  818   1HB   ALA 104          1HB       ALA 104 -10.374   5.051  -3.782
  819   2HB   ALA 104          2HB       ALA 104 -11.409   5.125  -2.355
  820   3HB   ALA 104          3HB       ALA 104 -12.025   5.657  -3.921
  821    H    ALA 105           HN       ALA 105 -13.026   7.517  -2.324
  822    HA   ALA 105           HA       ALA 105 -14.020   8.649  -4.661
  823   1HB   ALA 105          1HB       ALA 105 -15.869   9.497  -3.224
  824   2HB   ALA 105          2HB       ALA 105 -15.515   7.780  -3.018
  825   3HB   ALA 105          3HB       ALA 105 -14.961   8.945  -1.813
  826    H    LYS 106           HN       LYS 106 -12.383  10.187  -1.925
  827    HA   LYS 106           HA       LYS 106 -13.034  12.796  -2.901
  828   1HB   LYS 106          2HB       LYS 106 -11.639  13.697  -1.129
  829   2HB   LYS 106          3HB       LYS 106 -12.778  12.517  -0.516
  830   1HG   LYS 106          2HG       LYS 106 -10.836  12.076   0.646
  831   2HG   LYS 106          3HG       LYS 106 -10.852  10.864  -0.627
  832   1HD   LYS 106          2HD       LYS 106  -8.621  11.745  -0.359
  833   2HD   LYS 106          3HD       LYS 106  -9.262  12.224  -1.924
  834   1HE   LYS 106          2HE       LYS 106  -9.276  13.997   0.519
  835   2HE   LYS 106          3HE       LYS 106  -7.992  14.004  -0.684
  836   1HZ   LYS 106          1HZ       LYS 106 -10.527  15.297  -0.756
  837   2HZ   LYS 106          2HZ       LYS 106 -10.330  14.301  -2.106
  838   3HZ   LYS 106          3HZ       LYS 106  -9.186  15.500  -1.776
  839    H    TYR 107           HN       TYR 107 -10.481  10.522  -3.504
  840    HA   TYR 107           HA       TYR 107  -8.838  12.606  -4.690
  841   1HB   TYR 107          2HB       TYR 107  -8.413   9.645  -4.398
  842   2HB   TYR 107          3HB       TYR 107  -7.378  10.633  -5.428
  843    HD1  TYR 107           1HD      TYR 107  -6.444  12.802  -4.257
  844    HD2  TYR 107           2HD      TYR 107  -7.744   9.321  -2.166
  845    HE1  TYR 107           1HE      TYR 107  -5.075  13.443  -2.323
  846    HE2  TYR 107           2HE      TYR 107  -6.401   9.957  -0.250
  847    HH   TYR 107           HH       TYR 107  -5.346  11.815   0.738
  848    H    LYS 108           HN       LYS 108 -10.691   9.781  -5.877
  849    HA   LYS 108           HA       LYS 108 -10.841  11.252  -8.416
  850   1HB   LYS 108          2HB       LYS 108 -11.389   8.328  -7.966
  851   2HB   LYS 108          3HB       LYS 108 -11.917   9.193  -9.398
  852   1HG   LYS 108          2HG       LYS 108  -9.944   8.061  -9.991
  853   2HG   LYS 108          3HG       LYS 108  -9.501   9.756  -9.814
  854   1HD   LYS 108          2HD       LYS 108  -7.862   8.179  -8.818
  855   2HD   LYS 108          3HD       LYS 108  -8.536   9.325  -7.652
  856   1HE   LYS 108          2HE       LYS 108 -10.038   7.706  -6.806
  857   2HE   LYS 108          3HE       LYS 108  -9.636   6.565  -8.090
  858   1HZ   LYS 108          1HZ       LYS 108  -7.281   6.701  -7.120
  859   2HZ   LYS 108          2HZ       LYS 108  -8.450   5.788  -6.286
  860   3HZ   LYS 108          3HZ       LYS 108  -8.037   7.336  -5.744
  861    H    SER 109           HN       SER 109 -12.524  12.584  -8.242
  862    HA   SER 109           HA       SER 109 -14.399  12.481  -6.270
  863   1HB   SER 109          2HB       SER 109 -14.806  13.683  -9.006
  864   2HB   SER 109          3HB       SER 109 -15.715  14.094  -7.557
  865    HG   SER 109           HG       SER 109 -13.499  14.584  -6.670
  866    H    GLU 110           HN       GLU 110 -15.984  11.281  -5.819
  867    HA   GLU 110           HA       GLU 110 -17.529   9.654  -5.839
  868   1HB   GLU 110          2HB       GLU 110 -18.258  11.208  -8.310
  869   2HB   GLU 110          3HB       GLU 110 -19.322  10.057  -7.500
  870   1HG   GLU 110          2HG       GLU 110 -18.108  12.459  -6.167
  871   2HG   GLU 110          3HG       GLU 110 -19.708  12.431  -6.879
  872    H    GLU 111           HN       GLU 111 -15.109   8.646  -6.946
  873    HA   GLU 111           HA       GLU 111 -15.950   6.887  -9.080
  874   1HB   GLU 111          2HB       GLU 111 -13.521   7.520  -8.884
  875   2HB   GLU 111          3HB       GLU 111 -13.472   6.704  -7.321
  876   1HG   GLU 111          2HG       GLU 111 -13.979   4.636  -8.332
  877   2HG   GLU 111          3HG       GLU 111 -14.312   5.394  -9.879
  878    HA   PRO 112           HA       PRO 112 -18.168   4.397  -6.225
  879   1HB   PRO 112          2HB       PRO 112 -17.577   2.113  -8.022
  880   2HB   PRO 112          3HB       PRO 112 -19.137   2.747  -7.488
  881   1HG   PRO 112          2HG       PRO 112 -18.260   3.161  -9.976
  882   2HG   PRO 112          3HG       PRO 112 -19.161   4.411  -9.097
  883   1HD   PRO 112          2HD       PRO 112 -16.226   4.204  -9.618
  884   2HD   PRO 112          3HD       PRO 112 -17.271   5.638  -9.621
  885    H    ASP 113           HN       ASP 113 -17.540   3.539  -4.366
  886    HA   ASP 113           HA       ASP 113 -14.915   2.288  -4.174
  887   1HB   ASP 113          2HB       ASP 113 -16.765   3.151  -1.939
  888   2HB   ASP 113          3HB       ASP 113 -15.051   2.814  -1.839
  889    H    ALA 114           HN       ALA 114 -16.341   1.394  -1.520
  890    HA   ALA 114           HA       ALA 114 -16.788  -1.328  -2.361
  891   1HB   ALA 114          1HB       ALA 114 -17.224  -0.235   0.399
  892   2HB   ALA 114          2HB       ALA 114 -16.794  -1.874  -0.081
  893   3HB   ALA 114          3HB       ALA 114 -15.612  -0.575  -0.226
  894    H    GLU 115           HN       GLU 115 -18.662   1.242  -0.849
  895    HA   GLU 115           HA       GLU 115 -21.192   0.209  -1.799
  896   1HB   GLU 115          2HB       GLU 115 -20.686  -1.206   0.167
  897   2HB   GLU 115          3HB       GLU 115 -20.442   0.228   1.145
  898   1HG   GLU 115          2HG       GLU 115 -22.564  -0.736   1.660
  899   2HG   GLU 115          3HG       GLU 115 -22.817   0.801   0.844
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  19.658   9.518  -8.322
    2   2H    MET   1          2H        MET   1  20.066   8.316  -7.201
    3   3H    MET   1          3H        MET   1  21.284   9.233  -7.941
    4    HA   MET   1           HA       MET   1  20.861   9.918  -5.648
    5   1HB   MET   1          2HB       MET   1  20.239  11.865  -7.875
    6   2HB   MET   1          3HB       MET   1  20.498  12.367  -6.212
    7   1HG   MET   1          2HG       MET   1  22.503  12.669  -7.531
    8   2HG   MET   1          3HG       MET   1  22.756  11.455  -6.279
    9   1HE   MET   1          1HE       MET   1  25.038  10.170  -9.183
   10   2HE   MET   1          2HE       MET   1  24.728  11.855  -8.757
   11   3HE   MET   1          3HE       MET   1  24.961  10.652  -7.487
   12    H    SER   2           HN       SER   2  19.476  10.337  -4.074
   13    HA   SER   2           HA       SER   2  16.859  11.335  -4.310
   14   1HB   SER   2          2HB       SER   2  15.603   9.238  -3.797
   15   2HB   SER   2          3HB       SER   2  16.347   9.201  -5.395
   16    HG   SER   2           HG       SER   2  17.308   7.965  -3.024
   17    H    THR   3           HN       THR   3  16.020  11.762  -2.266
   18    HA   THR   3           HA       THR   3  17.837  11.568  -0.080
   19    HB   THR   3           HB       THR   3  15.984  12.597   1.248
   20    HG1  THR   3           1HG      THR   3  14.234  13.422  -0.293
   21   1HG2  THR   3          1HG2      THR   3  17.192  14.345   0.510
   22   2HG2  THR   3          2HG2      THR   3  15.836  14.610  -0.587
   23   3HG2  THR   3          3HG2      THR   3  17.258  13.724  -1.142
   24    H    THR   4           HN       THR   4  15.029  11.105   1.476
   25    HA   THR   4           HA       THR   4  15.095   8.182   1.385
   26    HB   THR   4           HB       THR   4  15.186   8.092   3.887
   27    HG1  THR   4           1HG      THR   4  16.419  10.364   4.416
   28   1HG2  THR   4          1HG2      THR   4  17.220   7.487   2.977
   29   2HG2  THR   4          2HG2      THR   4  17.687   8.855   3.987
   30   3HG2  THR   4          3HG2      THR   4  17.486   9.072   2.248
   31    H    ILE   5           HN       ILE   5  13.699   8.584   4.144
   32    HA   ILE   5           HA       ILE   5  11.095   8.091   3.426
   33    HB   ILE   5           HB       ILE   5  12.250   9.242   5.957
   34   1HG1  ILE   5          2HG1      ILE   5  11.032   6.547   5.400
   35   2HG1  ILE   5          3HG1      ILE   5  12.754   6.870   5.213
   36   1HG2  ILE   5          1HG2      ILE   5   9.936   9.989   5.797
   37   2HG2  ILE   5          2HG2      ILE   5   9.417   8.332   5.479
   38   3HG2  ILE   5          3HG2      ILE   5  10.117   8.752   7.045
   39   1HD1  ILE   5          1HD1      ILE   5  11.123   6.965   7.735
   40   2HD1  ILE   5          2HD1      ILE   5  12.415   5.839   7.326
   41   3HD1  ILE   5          3HD1      ILE   5  12.787   7.536   7.624
   42    H    GLU   6           HN       GLU   6  12.604  11.220   3.997
   43    HA   GLU   6           HA       GLU   6  10.329  12.791   4.200
   44   1HB   GLU   6          2HB       GLU   6  12.973  13.547   2.937
   45   2HB   GLU   6          3HB       GLU   6  11.768  14.665   3.571
   46   1HG   GLU   6          2HG       GLU   6  12.078  13.729   5.810
   47   2HG   GLU   6          3HG       GLU   6  13.287  12.616   5.176
   48    H    LYS   7           HN       LYS   7  12.072  11.786   1.274
   49    HA   LYS   7           HA       LYS   7  10.254  13.014  -0.551
   50   1HB   LYS   7          2HB       LYS   7  12.459  12.612  -1.324
   51   2HB   LYS   7          3HB       LYS   7  12.442  10.955  -0.749
   52   1HG   LYS   7          2HG       LYS   7  12.286  10.806  -3.065
   53   2HG   LYS   7          3HG       LYS   7  10.670  10.518  -2.442
   54   1HD   LYS   7          2HD       LYS   7  11.598  13.178  -3.520
   55   2HD   LYS   7          3HD       LYS   7  10.785  11.964  -4.500
   56   1HE   LYS   7          2HE       LYS   7   8.838  12.100  -2.986
   57   2HE   LYS   7          3HE       LYS   7   9.658  13.374  -2.085
   58   1HZ   LYS   7          1HZ       LYS   7   9.757  14.225  -4.674
   59   2HZ   LYS   7          2HZ       LYS   7   8.673  14.769  -3.489
   60   3HZ   LYS   7          3HZ       LYS   7   8.213  13.529  -4.550
   61    H    ILE   8           HN       ILE   8  10.789   9.766   0.782
   62    HA   ILE   8           HA       ILE   8   8.956   8.359  -0.694
   63    HB   ILE   8           HB       ILE   8   9.796   7.957   2.169
   64   1HG1  ILE   8          2HG1      ILE   8  10.691   6.647  -0.409
   65   2HG1  ILE   8          3HG1      ILE   8  11.588   7.884   0.464
   66   1HG2  ILE   8          1HG2      ILE   8   7.619   6.798   0.955
   67   2HG2  ILE   8          2HG2      ILE   8   8.900   5.605   0.730
   68   3HG2  ILE   8          3HG2      ILE   8   8.494   6.169   2.353
   69   1HD1  ILE   8          1HD1      ILE   8  10.886   5.170   1.559
   70   2HD1  ILE   8          2HD1      ILE   8  12.441   5.616   0.854
   71   3HD1  ILE   8          3HD1      ILE   8  11.888   6.398   2.335
   72    H    GLN   9           HN       GLN   9   8.320  10.063   2.403
   73    HA   GLN   9           HA       GLN   9   5.635   9.232   2.525
   74   1HB   GLN   9          2HB       GLN   9   7.035  11.561   3.812
   75   2HB   GLN   9          3HB       GLN   9   5.332  11.215   4.092
   76   1HG   GLN   9          2HG       GLN   9   6.009   8.942   4.866
   77   2HG   GLN   9          3HG       GLN   9   7.688   9.464   4.742
   78   1HE2  GLN   9          1HE2      GLN   9   8.453   9.797   6.693
   79   2HE2  GLN   9          2HE2      GLN   9   7.639  10.613   7.992
   80    H    ARG  10           HN       ARG  10   7.092  12.060   1.045
   81    HA   ARG  10           HA       ARG  10   4.676  13.334   0.313
   82   1HB   ARG  10          2HB       ARG  10   7.412  13.390  -0.968
   83   2HB   ARG  10          3HB       ARG  10   6.077  14.420  -1.462
   84   1HG   ARG  10          2HG       ARG  10   7.219  14.394   1.324
   85   2HG   ARG  10          3HG       ARG  10   7.734  15.495   0.054
   86   1HD   ARG  10          2HD       ARG  10   6.132  16.583   1.495
   87   2HD   ARG  10          3HD       ARG  10   5.467  16.375  -0.120
   88    HE   ARG  10           HE       ARG  10   3.817  15.123   0.774
   89   1HH1  ARG  10          2HH1      ARG  10   6.409  15.251   3.138
   90   2HH1  ARG  10          1HH1      ARG  10   5.560  14.273   4.305
   91   1HH2  ARG  10          2HH2      ARG  10   2.704  13.865   2.306
   92   2HH2  ARG  10          1HH2      ARG  10   3.455  13.470   3.821
   93    H    GLN  11           HN       GLN  11   6.545  10.723  -1.050
   94    HA   GLN  11           HA       GLN  11   5.066  10.612  -3.507
   95   1HB   GLN  11          2HB       GLN  11   7.403   9.843  -3.340
   96   2HB   GLN  11          3HB       GLN  11   6.904   8.563  -2.250
   97   1HG   GLN  11          2HG       GLN  11   5.710   8.740  -4.983
   98   2HG   GLN  11          3HG       GLN  11   7.323   8.074  -4.771
   99   1HE2  GLN  11          1HE2      GLN  11   6.060   7.220  -2.003
  100   2HE2  GLN  11          2HE2      GLN  11   5.347   5.698  -2.405
  101    H    ILE  12           HN       ILE  12   4.948   8.888  -0.413
  102    HA   ILE  12           HA       ILE  12   2.953   7.036  -1.203
  103    HB   ILE  12           HB       ILE  12   3.583   8.053   1.575
  104   1HG1  ILE  12          2HG1      ILE  12   4.603   5.667   0.023
  105   2HG1  ILE  12          3HG1      ILE  12   5.537   7.040   0.616
  106   1HG2  ILE  12          1HG2      ILE  12   2.586   5.786   2.210
  107   2HG2  ILE  12          2HG2      ILE  12   1.470   7.067   1.729
  108   3HG2  ILE  12          3HG2      ILE  12   1.885   5.786   0.591
  109   1HD1  ILE  12          1HD1      ILE  12   6.068   5.580   2.232
  110   2HD1  ILE  12          2HD1      ILE  12   4.560   6.169   2.932
  111   3HD1  ILE  12          3HD1      ILE  12   4.583   4.648   2.040
  112    H    ALA  13           HN       ALA  13   2.815  10.137   0.453
  113    HA   ALA  13           HA       ALA  13   0.052  10.210   0.916
  114   1HB   ALA  13          1HB       ALA  13   0.326  12.506   1.432
  115   2HB   ALA  13          2HB       ALA  13   1.801  11.690   1.947
  116   3HB   ALA  13          3HB       ALA  13   1.787  12.621   0.451
  117    H    GLU  14           HN       GLU  14   1.964  11.313  -1.867
  118    HA   GLU  14           HA       GLU  14  -0.158  12.673  -3.107
  119   1HB   GLU  14          2HB       GLU  14   1.168  12.725  -5.130
  120   2HB   GLU  14          3HB       GLU  14   2.156  13.110  -3.731
  121   1HG   GLU  14          2HG       GLU  14   3.076  10.862  -3.752
  122   2HG   GLU  14          3HG       GLU  14   2.062  10.466  -5.138
  123    H    ASN  15           HN       ASN  15   0.760   9.291  -3.167
  124    HA   ASN  15           HA       ASN  15  -1.123   8.666  -5.277
  125   1HB   ASN  15          2HB       ASN  15   0.368   6.886  -3.339
  126   2HB   ASN  15          3HB       ASN  15  -0.706   6.289  -4.596
  127   1HD2  ASN  15          1HD2      ASN  15   2.400   6.707  -3.873
  128   2HD2  ASN  15          2HD2      ASN  15   3.055   6.892  -5.455
  129    HA   PRO  16           HA       PRO  16  -4.665   9.003  -2.651
  130   1HB   PRO  16          2HB       PRO  16  -5.865   7.280  -4.762
  131   2HB   PRO  16          3HB       PRO  16  -6.418   8.845  -4.153
  132   1HG   PRO  16          2HG       PRO  16  -5.281   8.661  -6.546
  133   2HG   PRO  16          3HG       PRO  16  -4.894  10.024  -5.475
  134   1HD   PRO  16          2HD       PRO  16  -3.301   7.549  -6.042
  135   2HD   PRO  16          3HD       PRO  16  -2.752   9.231  -5.880
  136    H    ILE  17           HN       ILE  17  -3.936   5.931  -4.209
  137    HA   ILE  17           HA       ILE  17  -4.493   4.565  -1.667
  138    HB   ILE  17           HB       ILE  17  -5.326   3.474  -4.372
  139   1HG1  ILE  17          2HG1      ILE  17  -6.717   5.451  -3.848
  140   2HG1  ILE  17          3HG1      ILE  17  -7.651   3.959  -3.811
  141   1HG2  ILE  17          1HG2      ILE  17  -4.932   1.730  -2.827
  142   2HG2  ILE  17          2HG2      ILE  17  -5.802   2.574  -1.545
  143   3HG2  ILE  17          3HG2      ILE  17  -6.682   1.928  -2.933
  144   1HD1  ILE  17          1HD1      ILE  17  -6.735   4.414  -1.186
  145   2HD1  ILE  17          2HD1      ILE  17  -7.326   5.966  -1.795
  146   3HD1  ILE  17          3HD1      ILE  17  -8.382   4.546  -1.803
  147    H    LEU  18           HN       LEU  18  -2.650   3.471  -1.162
  148    HA   LEU  18           HA       LEU  18  -0.900   2.745  -3.411
  149   1HB   LEU  18          2HB       LEU  18  -0.308   4.892  -2.244
  150   2HB   LEU  18          3HB       LEU  18   0.018   3.944  -0.805
  151    HG   LEU  18           HG       LEU  18   1.802   2.748  -1.973
  152   1HD1  LEU  18          1HD1      LEU  18   0.513   3.401  -4.265
  153   2HD1  LEU  18          2HD1      LEU  18   1.821   4.586  -4.269
  154   3HD1  LEU  18          3HD1      LEU  18   2.191   2.863  -4.185
  155   1HD2  LEU  18          1HD2      LEU  18   2.579   4.618  -0.801
  156   2HD2  LEU  18          2HD2      LEU  18   3.252   4.835  -2.417
  157   3HD2  LEU  18          3HD2      LEU  18   1.827   5.752  -1.923
  158    H    LEU  19           HN       LEU  19   0.316   0.966  -3.233
  159    HA   LEU  19           HA       LEU  19   0.049  -0.697  -0.829
  160   1HB   LEU  19          2HB       LEU  19  -1.630  -1.555  -2.206
  161   2HB   LEU  19          3HB       LEU  19  -0.710  -1.271  -3.668
  162    HG   LEU  19           HG       LEU  19   0.768  -3.136  -3.118
  163   1HD1  LEU  19          1HD1      LEU  19  -0.074  -2.829  -0.535
  164   2HD1  LEU  19          2HD1      LEU  19  -1.005  -4.239  -1.047
  165   3HD1  LEU  19          3HD1      LEU  19   0.756  -4.254  -1.160
  166   1HD2  LEU  19          1HD2      LEU  19  -0.809  -4.899  -3.596
  167   2HD2  LEU  19          2HD2      LEU  19  -2.149  -3.896  -3.034
  168   3HD2  LEU  19          3HD2      LEU  19  -1.253  -3.439  -4.483
  169    H    TYR  20           HN       TYR  20   2.043  -1.283  -0.172
  170    HA   TYR  20           HA       TYR  20   4.159  -1.369  -2.195
  171   1HB   TYR  20          2HB       TYR  20   4.214  -1.149   0.796
  172   2HB   TYR  20          3HB       TYR  20   5.640  -1.670  -0.095
  173    HD1  TYR  20           1HD      TYR  20   7.187  -0.040  -0.361
  174    HD2  TYR  20           2HD      TYR  20   3.074   1.052  -0.518
  175    HE1  TYR  20           1HE      TYR  20   7.834   2.283  -0.799
  176    HE2  TYR  20           2HE      TYR  20   3.715   3.381  -0.949
  177    HH   TYR  20           HH       TYR  20   6.711   4.595  -0.416
  178    H    MET  21           HN       MET  21   4.709  -3.217  -3.033
  179    HA   MET  21           HA       MET  21   4.793  -5.605  -1.390
  180   1HB   MET  21          2HB       MET  21   3.578  -6.888  -3.156
  181   2HB   MET  21          3HB       MET  21   2.588  -5.781  -2.230
  182   1HG   MET  21          2HG       MET  21   2.759  -4.169  -4.112
  183   2HG   MET  21          3HG       MET  21   3.590  -5.422  -5.041
  184   1HE   MET  21          1HE       MET  21   1.635  -5.415  -7.039
  185   2HE   MET  21          2HE       MET  21  -0.064  -5.260  -6.590
  186   3HE   MET  21          3HE       MET  21   1.088  -4.006  -6.129
  187    H    LYS  22           HN       LYS  22   5.454  -7.514  -3.298
  188    HA   LYS  22           HA       LYS  22   8.020  -6.398  -4.168
  189   1HB   LYS  22          2HB       LYS  22   8.009  -8.448  -2.783
  190   2HB   LYS  22          3HB       LYS  22   7.097  -9.274  -4.035
  191   1HG   LYS  22          2HG       LYS  22   8.953  -9.170  -5.547
  192   2HG   LYS  22          3HG       LYS  22   9.868  -8.157  -4.424
  193   1HD   LYS  22          2HD       LYS  22   9.838  -9.992  -2.776
  194   2HD   LYS  22          3HD       LYS  22   8.965 -10.998  -3.930
  195   1HE   LYS  22          2HE       LYS  22  11.710  -9.841  -4.389
  196   2HE   LYS  22          3HE       LYS  22  11.398 -11.478  -3.819
  197   1HZ   LYS  22          1HZ       LYS  22  11.590 -10.654  -6.433
  198   2HZ   LYS  22          2HZ       LYS  22   9.934 -10.915  -6.189
  199   3HZ   LYS  22          3HZ       LYS  22  11.035 -12.158  -5.881
  200    H    GLY  23           HN       GLY  23   8.299  -5.804  -6.147
  201   1HA   GLY  23          1HA       GLY  23   6.306  -6.530  -8.145
  202   2HA   GLY  23          2HA       GLY  23   7.501  -5.245  -8.284
  203    H    SER  24           HN       SER  24   7.194  -8.769  -8.169
  204    HA   SER  24           HA       SER  24   9.733  -9.153  -9.493
  205   1HB   SER  24          2HB       SER  24   8.864 -10.774  -7.842
  206   2HB   SER  24          3HB       SER  24   7.490 -11.105  -8.893
  207    HG   SER  24           HG       SER  24  10.223 -11.561  -9.535
  208    HA   PRO  25           HA       PRO  25   8.345  -8.655 -13.677
  209   1HB   PRO  25          2HB       PRO  25  10.006 -11.056 -14.264
  210   2HB   PRO  25          3HB       PRO  25  10.036  -9.457 -15.014
  211   1HG   PRO  25          2HG       PRO  25  11.946 -10.194 -13.314
  212   2HG   PRO  25          3HG       PRO  25  11.316  -8.537 -13.311
  213   1HD   PRO  25          2HD       PRO  25  10.768 -10.778 -11.413
  214   2HD   PRO  25          3HD       PRO  25  10.940  -9.041 -11.090
  215    H    LYS  26           HN       LYS  26   8.548 -11.942 -12.400
  216    HA   LYS  26           HA       LYS  26   6.588 -13.083 -14.113
  217   1HB   LYS  26          2HB       LYS  26   6.652 -14.989 -12.541
  218   2HB   LYS  26          3HB       LYS  26   8.251 -14.491 -13.071
  219   1HG   LYS  26          2HG       LYS  26   8.546 -13.279 -10.949
  220   2HG   LYS  26          3HG       LYS  26   6.970 -13.870 -10.421
  221   1HD   LYS  26          2HD       LYS  26   7.756 -16.166 -10.583
  222   2HD   LYS  26          3HD       LYS  26   9.321 -15.602 -11.173
  223   1HE   LYS  26          2HE       LYS  26   9.667 -14.400  -9.061
  224   2HE   LYS  26          3HE       LYS  26   8.121 -15.006  -8.471
  225   1HZ   LYS  26          1HZ       LYS  26   9.344 -16.657  -7.635
  226   2HZ   LYS  26          2HZ       LYS  26  10.675 -16.327  -8.632
  227   3HZ   LYS  26          3HZ       LYS  26   9.390 -17.268  -9.217
  228    H    LEU  27           HN       LEU  27   6.428 -11.381 -11.061
  229    HA   LEU  27           HA       LEU  27   3.563 -11.160 -11.262
  230   1HB   LEU  27          2HB       LEU  27   3.916 -13.356 -10.113
  231   2HB   LEU  27          3HB       LEU  27   4.815 -12.500  -8.867
  232    HG   LEU  27           HG       LEU  27   2.775 -11.234  -8.285
  233   1HD1  LEU  27          1HD1      LEU  27   1.347 -11.104 -10.044
  234   2HD1  LEU  27          2HD1      LEU  27   1.706 -12.738 -10.603
  235   3HD1  LEU  27          3HD1      LEU  27   0.635 -12.493  -9.223
  236   1HD2  LEU  27          1HD2      LEU  27   2.200 -12.822  -6.818
  237   2HD2  LEU  27          2HD2      LEU  27   1.756 -13.962  -8.088
  238   3HD2  LEU  27          3HD2      LEU  27   3.444 -13.797  -7.602
  239    HA   PRO  28           HA       PRO  28   5.224  -7.373  -9.444
  240   1HB   PRO  28          2HB       PRO  28   2.498  -6.362  -9.772
  241   2HB   PRO  28          3HB       PRO  28   3.991  -5.807 -10.531
  242   1HG   PRO  28          2HG       PRO  28   2.056  -7.086 -11.905
  243   2HG   PRO  28          3HG       PRO  28   3.776  -7.257 -12.303
  244   1HD   PRO  28          2HD       PRO  28   1.992  -9.117 -10.774
  245   2HD   PRO  28          3HD       PRO  28   3.217  -9.486 -11.997
  246    H    SER  29           HN       SER  29   4.013  -9.584  -7.833
  247    HA   SER  29           HA       SER  29   3.716  -8.114  -5.439
  248   1HB   SER  29          2HB       SER  29   1.477  -9.154  -4.888
  249   2HB   SER  29          3HB       SER  29   1.488  -7.807  -6.019
  250    HG   SER  29           HG       SER  29   1.000  -9.153  -7.646
  251    H    CYS  30           HN       CYS  30   5.579  -9.861  -6.179
  252    HA   CYS  30           HA       CYS  30   5.154 -12.530  -5.302
  253   1HB   CYS  30          2HB       CYS  30   7.032 -11.835  -6.761
  254   2HB   CYS  30          3HB       CYS  30   7.711 -10.913  -5.426
  255    HG   CYS  30           HG       CYS  30   7.160 -14.183  -4.843
  256    H    GLY  31           HN       GLY  31   5.674 -13.462  -3.288
  257   1HA   GLY  31          1HA       GLY  31   6.423 -13.236  -0.986
  258   2HA   GLY  31          2HA       GLY  31   6.015 -11.520  -1.089
  259    H    PHE  32           HN       PHE  32   4.544 -11.402   0.547
  260    HA   PHE  32           HA       PHE  32   2.378 -13.295   0.738
  261   1HB   PHE  32          2HB       PHE  32   2.901 -10.699   2.179
  262   2HB   PHE  32          3HB       PHE  32   1.467 -11.678   2.444
  263    HD1  PHE  32           1HD      PHE  32   1.460 -13.102   4.180
  264    HD2  PHE  32           2HD      PHE  32   5.183 -12.064   2.394
  265    HE1  PHE  32           1HE      PHE  32   2.652 -14.385   5.917
  266    HE2  PHE  32           2HE      PHE  32   6.379 -13.357   4.115
  267    HZ   PHE  32           HZ       PHE  32   5.110 -14.518   5.880
  268    H    SER  33           HN       SER  33   2.891 -10.061  -0.427
  269    HA   SER  33           HA       SER  33   0.419  -9.069  -0.613
  270   1HB   SER  33          2HB       SER  33   1.240  -7.827  -2.629
  271   2HB   SER  33          3HB       SER  33   2.238  -7.722  -1.180
  272    HG   SER  33           HG       SER  33   2.728  -9.660  -3.194
  273    H    ALA  34           HN       ALA  34   1.483 -11.771  -2.454
  274    HA   ALA  34           HA       ALA  34  -0.178 -11.726  -4.679
  275   1HB   ALA  34          1HB       ALA  34   0.156 -14.255  -3.137
  276   2HB   ALA  34          2HB       ALA  34   0.232 -13.976  -4.877
  277   3HB   ALA  34          3HB       ALA  34   1.574 -13.482  -3.845
  278    H    GLN  35           HN       GLN  35  -0.949 -12.668  -1.307
  279    HA   GLN  35           HA       GLN  35  -3.711 -13.061  -2.040
  280   1HB   GLN  35          2HB       GLN  35  -3.791 -13.021   0.688
  281   2HB   GLN  35          3HB       GLN  35  -3.660 -14.449  -0.311
  282   1HG   GLN  35          2HG       GLN  35  -2.087 -14.742   1.347
  283   2HG   GLN  35          3HG       GLN  35  -1.139 -14.171  -0.015
  284   1HE2  GLN  35          1HE2      GLN  35  -2.583 -11.452   0.919
  285   2HE2  GLN  35          2HE2      GLN  35  -1.399 -10.870   2.046
  286    H    ALA  36           HN       ALA  36  -1.818 -10.540  -0.519
  287    HA   ALA  36           HA       ALA  36  -3.961  -9.054   0.517
  288   1HB   ALA  36          1HB       ALA  36  -1.435  -7.736  -0.374
  289   2HB   ALA  36          2HB       ALA  36  -2.408  -7.446   1.070
  290   3HB   ALA  36          3HB       ALA  36  -1.409  -8.897   0.954
  291    H    VAL  37           HN       VAL  37  -2.210  -8.748  -2.524
  292    HA   VAL  37           HA       VAL  37  -3.360  -6.409  -3.475
  293    HB   VAL  37           HB       VAL  37  -1.399  -7.549  -4.478
  294   1HG1  VAL  37          1HG1      VAL  37  -2.221  -9.833  -4.496
  295   2HG1  VAL  37          2HG1      VAL  37  -3.416  -9.404  -5.718
  296   3HG1  VAL  37          3HG1      VAL  37  -1.697  -9.334  -6.103
  297   1HG2  VAL  37          1HG2      VAL  37  -1.832  -6.924  -6.765
  298   2HG2  VAL  37          2HG2      VAL  37  -3.572  -7.006  -6.493
  299   3HG2  VAL  37          3HG2      VAL  37  -2.611  -5.769  -5.683
  300    H    GLN  38           HN       GLN  38  -4.545  -9.709  -3.610
  301    HA   GLN  38           HA       GLN  38  -6.690  -9.248  -5.388
  302   1HB   GLN  38          2HB       GLN  38  -6.425 -11.392  -3.267
  303   2HB   GLN  38          3HB       GLN  38  -7.526 -11.395  -4.638
  304   1HG   GLN  38          2HG       GLN  38  -4.543 -11.352  -4.881
  305   2HG   GLN  38          3HG       GLN  38  -5.549 -12.800  -4.995
  306   1HE2  GLN  38          1HE2      GLN  38  -4.799  -9.759  -6.464
  307   2HE2  GLN  38          2HE2      GLN  38  -5.407 -10.119  -8.040
  308    H    ALA  39           HN       ALA  39  -6.515  -9.337  -1.839
  309    HA   ALA  39           HA       ALA  39  -9.233  -8.955  -1.328
  310   1HB   ALA  39          1HB       ALA  39  -8.266  -7.826   0.843
  311   2HB   ALA  39          2HB       ALA  39  -8.111  -9.564   0.566
  312   3HB   ALA  39          3HB       ALA  39  -6.745  -8.493   0.234
  313    H    LEU  40           HN       LEU  40  -6.668  -6.601  -1.886
  314    HA   LEU  40           HA       LEU  40  -8.050  -4.298  -1.113
  315   1HB   LEU  40          2HB       LEU  40  -5.558  -4.782  -1.913
  316   2HB   LEU  40          3HB       LEU  40  -6.199  -4.239  -3.441
  317    HG   LEU  40           HG       LEU  40  -6.047  -2.639  -0.890
  318   1HD1  LEU  40          1HD1      LEU  40  -4.018  -2.153  -1.632
  319   2HD1  LEU  40          2HD1      LEU  40  -4.306  -2.980  -3.163
  320   3HD1  LEU  40          3HD1      LEU  40  -4.788  -1.293  -2.966
  321   1HD2  LEU  40          1HD2      LEU  40  -7.805  -1.503  -1.668
  322   2HD2  LEU  40          2HD2      LEU  40  -6.691  -0.875  -2.884
  323   3HD2  LEU  40          3HD2      LEU  40  -7.711  -2.266  -3.257
  324    H    ALA  41           HN       ALA  41  -7.479  -5.557  -4.375
  325    HA   ALA  41           HA       ALA  41  -9.185  -3.765  -5.699
  326   1HB   ALA  41          1HB       ALA  41  -8.980  -5.260  -7.614
  327   2HB   ALA  41          2HB       ALA  41  -7.415  -5.023  -6.833
  328   3HB   ALA  41          3HB       ALA  41  -8.312  -6.520  -6.573
  329    H    ALA  42           HN       ALA  42  -9.680  -6.880  -4.216
  330    HA   ALA  42           HA       ALA  42 -12.271  -7.393  -5.263
  331   1HB   ALA  42          1HB       ALA  42 -12.439  -9.141  -3.711
  332   2HB   ALA  42          2HB       ALA  42 -10.721  -9.036  -4.088
  333   3HB   ALA  42          3HB       ALA  42 -11.335  -8.361  -2.579
  334    H    CYS  43           HN       CYS  43 -11.216  -5.897  -2.202
  335    HA   CYS  43           HA       CYS  43 -13.895  -5.345  -1.369
  336   1HB   CYS  43          2HB       CYS  43 -11.194  -4.865  -0.345
  337   2HB   CYS  43          3HB       CYS  43 -12.379  -3.648   0.115
  338    HG   CYS  43           HG       CYS  43 -13.249  -6.870   0.549
  339    H    GLY  44           HN       GLY  44 -11.259  -3.218  -2.491
  340   1HA   GLY  44          1HA       GLY  44 -13.255  -1.105  -2.875
  341   2HA   GLY  44          2HA       GLY  44 -11.516  -0.879  -2.779
  342    H    GLU  45           HN       GLU  45 -10.964   0.044  -4.567
  343    HA   GLU  45           HA       GLU  45 -11.525  -1.271  -7.107
  344   1HB   GLU  45          2HB       GLU  45 -11.985   1.639  -6.477
  345   2HB   GLU  45          3HB       GLU  45 -11.729   1.073  -8.121
  346   1HG   GLU  45          2HG       GLU  45 -13.921   0.114  -6.297
  347   2HG   GLU  45          3HG       GLU  45 -14.103   1.354  -7.537
  348    H    ARG  46           HN       ARG  46 -10.244   1.013  -8.467
  349    HA   ARG  46           HA       ARG  46  -7.758  -0.125  -8.658
  350   1HB   ARG  46          2HB       ARG  46  -7.132   1.795 -10.077
  351   2HB   ARG  46          3HB       ARG  46  -8.652   1.033 -10.521
  352   1HG   ARG  46          2HG       ARG  46  -9.000   3.335 -10.672
  353   2HG   ARG  46          3HG       ARG  46  -9.791   2.810  -9.187
  354   1HD   ARG  46          2HD       ARG  46  -8.619   4.859  -8.739
  355   2HD   ARG  46          3HD       ARG  46  -7.788   3.522  -7.934
  356    HE   ARG  46           HE       ARG  46  -5.936   4.073  -9.123
  357   1HH1  ARG  46          2HH1      ARG  46  -8.721   5.225 -10.937
  358   2HH1  ARG  46          1HH1      ARG  46  -7.762   5.785 -12.281
  359   1HH2  ARG  46          2HH2      ARG  46  -4.698   4.815 -10.876
  360   2HH2  ARG  46          1HH2      ARG  46  -5.480   5.538 -12.249
  361    H    PHE  47           HN       PHE  47  -5.695   0.534  -8.259
  362    HA   PHE  47           HA       PHE  47  -5.212   2.510  -6.184
  363   1HB   PHE  47          2HB       PHE  47  -4.398   0.890  -4.565
  364   2HB   PHE  47          3HB       PHE  47  -6.069   0.528  -4.971
  365    HD1  PHE  47           1HD      PHE  47  -6.678  -1.599  -5.656
  366    HD2  PHE  47           2HD      PHE  47  -2.563  -0.485  -5.729
  367    HE1  PHE  47           1HE      PHE  47  -6.047  -3.946  -6.062
  368    HE2  PHE  47           2HE      PHE  47  -1.936  -2.827  -6.153
  369    HZ   PHE  47           HZ       PHE  47  -3.680  -4.554  -6.329
  370    H    ALA  48           HN       ALA  48  -2.956   2.747  -5.712
  371    HA   ALA  48           HA       ALA  48  -1.250   1.898  -7.938
  372   1HB   ALA  48          1HB       ALA  48  -0.264   3.848  -5.938
  373   2HB   ALA  48          2HB       ALA  48  -0.005   3.782  -7.682
  374   3HB   ALA  48          3HB       ALA  48  -1.535   4.385  -7.039
  375    H    TYR  49           HN       TYR  49   0.846   1.041  -7.482
  376    HA   TYR  49           HA       TYR  49   1.145  -0.059  -4.765
  377   1HB   TYR  49          2HB       TYR  49   1.291  -2.265  -5.509
  378   2HB   TYR  49          3HB       TYR  49   0.039  -1.632  -6.572
  379    HD1  TYR  49           1HD      TYR  49   3.577  -2.529  -6.309
  380    HD2  TYR  49           2HD      TYR  49   0.386  -1.558  -8.938
  381    HE1  TYR  49           1HE      TYR  49   4.978  -3.168  -8.212
  382    HE2  TYR  49           2HE      TYR  49   1.766  -2.230 -10.866
  383    HH   TYR  49           HH       TYR  49   4.061  -2.496 -11.471
  384    H    VAL  50           HN       VAL  50   3.361  -0.619  -4.275
  385    HA   VAL  50           HA       VAL  50   5.352   0.374  -6.206
  386    HB   VAL  50           HB       VAL  50   5.445   0.839  -3.206
  387   1HG1  VAL  50          1HG1      VAL  50   7.589   0.554  -4.754
  388   2HG1  VAL  50          2HG1      VAL  50   7.250   2.254  -5.087
  389   3HG1  VAL  50          3HG1      VAL  50   7.527   1.716  -3.428
  390   1HG2  VAL  50          1HG2      VAL  50   4.726   2.656  -5.489
  391   2HG2  VAL  50          2HG2      VAL  50   3.831   2.333  -4.003
  392   3HG2  VAL  50          3HG2      VAL  50   5.317   3.279  -3.948
  393    H    ASP  51           HN       ASP  51   6.987  -0.960  -6.542
  394    HA   ASP  51           HA       ASP  51   7.110  -3.479  -5.155
  395   1HB   ASP  51          2HB       ASP  51   9.062  -3.908  -6.683
  396   2HB   ASP  51          3HB       ASP  51   7.546  -3.555  -7.506
  397    H    ILE  52           HN       ILE  52   8.336  -3.970  -3.482
  398    HA   ILE  52           HA       ILE  52  10.644  -2.322  -2.828
  399    HB   ILE  52           HB       ILE  52   9.669  -2.464  -0.350
  400   1HG1  ILE  52          2HG1      ILE  52   7.268  -1.695  -0.500
  401   2HG1  ILE  52          3HG1      ILE  52   7.289  -2.256  -2.169
  402   1HG2  ILE  52          1HG2      ILE  52   9.698  -0.242  -0.434
  403   2HG2  ILE  52          2HG2      ILE  52  10.336  -0.505  -2.059
  404   3HG2  ILE  52          3HG2      ILE  52   8.619  -0.166  -1.830
  405   1HD1  ILE  52          1HD1      ILE  52   6.831  -3.720   0.219
  406   2HD1  ILE  52          2HD1      ILE  52   6.713  -4.248  -1.461
  407   3HD1  ILE  52          3HD1      ILE  52   8.251  -4.368  -0.607
  408    H    LEU  53           HN       LEU  53   8.834  -5.315  -2.034
  409    HA   LEU  53           HA       LEU  53  10.810  -6.321  -0.294
  410   1HB   LEU  53          2HB       LEU  53   8.907  -7.925  -2.017
  411   2HB   LEU  53          3HB       LEU  53   9.979  -8.618  -0.823
  412    HG   LEU  53           HG       LEU  53   8.099  -8.544   0.405
  413   1HD1  LEU  53          1HD1      LEU  53   9.153  -5.761   0.721
  414   2HD1  LEU  53          2HD1      LEU  53   8.030  -6.546   1.833
  415   3HD1  LEU  53          3HD1      LEU  53   9.651  -7.203   1.609
  416   1HD2  LEU  53          1HD2      LEU  53   6.384  -6.691   0.201
  417   2HD2  LEU  53          2HD2      LEU  53   7.249  -6.198  -1.251
  418   3HD2  LEU  53          3HD2      LEU  53   6.527  -7.805  -1.159
  419    H    GLN  54           HN       GLN  54  10.889  -5.842  -3.641
  420    HA   GLN  54           HA       GLN  54  12.969  -7.772  -4.012
  421   1HB   GLN  54          2HB       GLN  54  12.767  -7.108  -6.423
  422   2HB   GLN  54          3HB       GLN  54  11.433  -7.986  -5.696
  423   1HG   GLN  54          2HG       GLN  54  10.535  -6.325  -7.025
  424   2HG   GLN  54          3HG       GLN  54  10.331  -5.809  -5.366
  425   1HE2  GLN  54          1HE2      GLN  54  10.594  -3.730  -5.154
  426   2HE2  GLN  54          2HE2      GLN  54  11.730  -2.750  -6.008
  427    H    ASN  55           HN       ASN  55  12.594  -4.274  -3.916
  428    HA   ASN  55           HA       ASN  55  15.349  -3.729  -4.650
  429   1HB   ASN  55          2HB       ASN  55  13.235  -1.967  -3.401
  430   2HB   ASN  55          3HB       ASN  55  14.879  -1.431  -3.708
  431   1HD2  ASN  55          1HD2      ASN  55  11.975  -0.964  -4.798
  432   2HD2  ASN  55          2HD2      ASN  55  12.254  -0.839  -6.506
  433    HA   PRO  56           HA       PRO  56  16.986  -4.755  -0.675
  434   1HB   PRO  56          2HB       PRO  56  19.433  -3.597  -0.994
  435   2HB   PRO  56          3HB       PRO  56  18.989  -5.150  -1.708
  436   1HG   PRO  56          2HG       PRO  56  19.084  -2.444  -2.966
  437   2HG   PRO  56          3HG       PRO  56  19.582  -4.009  -3.632
  438   1HD   PRO  56          2HD       PRO  56  17.228  -2.814  -4.268
  439   2HD   PRO  56          3HD       PRO  56  17.442  -4.576  -4.236
  440    H    ASP  57           HN       ASP  57  17.486  -1.449  -1.909
  441    HA   ASP  57           HA       ASP  57  18.003  -0.380   0.686
  442   1HB   ASP  57          2HB       ASP  57  17.409   1.005  -1.929
  443   2HB   ASP  57          3HB       ASP  57  17.880   1.846  -0.458
  444    H    ILE  58           HN       ILE  58  15.338   0.237  -1.559
  445    HA   ILE  58           HA       ILE  58  13.884   1.901   0.106
  446    HB   ILE  58           HB       ILE  58  12.680   0.097  -1.998
  447   1HG1  ILE  58          2HG1      ILE  58  13.970   2.822  -2.306
  448   2HG1  ILE  58          3HG1      ILE  58  14.660   1.303  -2.868
  449   1HG2  ILE  58          1HG2      ILE  58  11.438   2.527  -2.133
  450   2HG2  ILE  58          2HG2      ILE  58  10.824   1.127  -1.253
  451   3HG2  ILE  58          3HG2      ILE  58  11.741   2.372  -0.402
  452   1HD1  ILE  58          1HD1      ILE  58  13.330   2.928  -4.468
  453   2HD1  ILE  58          2HD1      ILE  58  13.265   1.176  -4.653
  454   3HD1  ILE  58          3HD1      ILE  58  11.954   2.026  -3.835
  455    H    ARG  59           HN       ARG  59  13.867  -1.581  -0.149
  456    HA   ARG  59           HA       ARG  59  11.590  -2.237   1.302
  457   1HB   ARG  59          2HB       ARG  59  13.003  -3.809   0.016
  458   2HB   ARG  59          3HB       ARG  59  14.244  -3.678   1.250
  459   1HG   ARG  59          2HG       ARG  59  12.756  -4.688   2.882
  460   2HG   ARG  59          3HG       ARG  59  11.475  -4.778   1.669
  461   1HD   ARG  59          2HD       ARG  59  12.914  -6.217   0.287
  462   2HD   ARG  59          3HD       ARG  59  14.153  -6.159   1.538
  463    HE   ARG  59           HE       ARG  59  11.799  -7.071   2.720
  464   1HH1  ARG  59          2HH1      ARG  59  14.120  -8.120   0.323
  465   2HH1  ARG  59          1HH1      ARG  59  13.842  -9.809   0.606
  466   1HH2  ARG  59          2HH2      ARG  59  11.423  -9.284   3.098
  467   2HH2  ARG  59          1HH2      ARG  59  12.306 -10.472   2.183
  468    H    ALA  60           HN       ALA  60  14.677  -1.052   2.414
  469    HA   ALA  60           HA       ALA  60  14.269  -2.003   5.093
  470   1HB   ALA  60          1HB       ALA  60  16.476  -0.578   5.369
  471   2HB   ALA  60          2HB       ALA  60  16.472  -2.162   4.592
  472   3HB   ALA  60          3HB       ALA  60  16.473  -0.697   3.609
  473    H    GLU  61           HN       GLU  61  14.521   1.232   3.654
  474    HA   GLU  61           HA       GLU  61  14.614   2.445   6.160
  475   1HB   GLU  61          2HB       GLU  61  14.192   3.731   3.470
  476   2HB   GLU  61          3HB       GLU  61  14.623   4.584   4.948
  477   1HG   GLU  61          2HG       GLU  61  16.689   3.226   5.089
  478   2HG   GLU  61          3HG       GLU  61  16.274   2.500   3.536
  479    H    LEU  62           HN       LEU  62  12.013   2.988   3.713
  480    HA   LEU  62           HA       LEU  62  10.576   4.579   5.522
  481   1HB   LEU  62          2HB       LEU  62   8.728   4.619   4.006
  482   2HB   LEU  62          3HB       LEU  62  10.233   4.790   3.110
  483    HG   LEU  62           HG       LEU  62   8.960   2.088   3.359
  484   1HD1  LEU  62          1HD1      LEU  62   7.358   4.011   2.542
  485   2HD1  LEU  62          2HD1      LEU  62   8.292   3.844   1.055
  486   3HD1  LEU  62          3HD1      LEU  62   7.418   2.458   1.707
  487   1HD2  LEU  62          1HD2      LEU  62  10.908   1.802   2.268
  488   2HD2  LEU  62          2HD2      LEU  62   9.934   2.304   0.884
  489   3HD2  LEU  62          3HD2      LEU  62  10.964   3.475   1.709
  490    HA   PRO  63           HA       PRO  63   7.738   0.606   6.164
  491   1HB   PRO  63          2HB       PRO  63   9.358  -1.503   6.911
  492   2HB   PRO  63          3HB       PRO  63   8.601  -1.333   5.322
  493   1HG   PRO  63          2HG       PRO  63  11.371  -0.605   6.186
  494   2HG   PRO  63          3HG       PRO  63  10.840  -1.435   4.708
  495   1HD   PRO  63          2HD       PRO  63  11.461   1.132   4.630
  496   2HD   PRO  63          3HD       PRO  63  10.034   0.537   3.751
  497    H    LYS  64           HN       LYS  64  10.922   1.056   7.592
  498    HA   LYS  64           HA       LYS  64  10.376   0.489  10.272
  499   1HB   LYS  64          2HB       LYS  64  12.157   2.725   9.320
  500   2HB   LYS  64          3HB       LYS  64  12.286   1.813  10.814
  501   1HG   LYS  64          2HG       LYS  64  12.814  -0.207   9.443
  502   2HG   LYS  64          3HG       LYS  64  12.840   0.839   8.032
  503   1HD   LYS  64          2HD       LYS  64  14.580   1.151  10.465
  504   2HD   LYS  64          3HD       LYS  64  15.089   0.467   8.920
  505   1HE   LYS  64          2HE       LYS  64  14.565   2.606   7.827
  506   2HE   LYS  64          3HE       LYS  64  14.105   3.279   9.388
  507   1HZ   LYS  64          1HZ       LYS  64  16.347   3.004  10.167
  508   2HZ   LYS  64          2HZ       LYS  64  16.370   3.881   8.715
  509   3HZ   LYS  64          3HZ       LYS  64  16.808   2.243   8.721
  510    H    TYR  65           HN       TYR  65   9.986   3.407   8.350
  511    HA   TYR  65           HA       TYR  65   9.133   5.044  10.484
  512   1HB   TYR  65          2HB       TYR  65   9.231   6.719   8.987
  513   2HB   TYR  65          3HB       TYR  65   9.913   5.535   7.892
  514    HD1  TYR  65           1HD      TYR  65   6.450   6.572   8.950
  515    HD2  TYR  65           2HD      TYR  65   9.093   5.684   5.717
  516    HE1  TYR  65           1HE      TYR  65   4.665   7.075   7.350
  517    HE2  TYR  65           2HE      TYR  65   7.283   6.193   4.118
  518    HH   TYR  65           HH       TYR  65   4.282   7.640   5.150
  519    H    ALA  66           HN       ALA  66   7.381   2.977   8.142
  520    HA   ALA  66           HA       ALA  66   4.851   4.054   8.771
  521   1HB   ALA  66          1HB       ALA  66   5.778   2.390   6.900
  522   2HB   ALA  66          2HB       ALA  66   5.035   1.208   7.992
  523   3HB   ALA  66          3HB       ALA  66   4.067   2.527   7.310
  524    H    ASN  67           HN       ASN  67   6.409   1.037   9.816
  525    HA   ASN  67           HA       ASN  67   5.718   1.387  12.482
  526   1HB   ASN  67          2HB       ASN  67   3.417   0.869  11.645
  527   2HB   ASN  67          3HB       ASN  67   3.999  -0.710  11.137
  528   1HD2  ASN  67          1HD2      ASN  67   2.358   0.851  13.444
  529   2HD2  ASN  67          2HD2      ASN  67   2.639  -0.203  14.801
  530    H    TRP  68           HN       TRP  68   6.137  -1.054   9.975
  531    HA   TRP  68           HA       TRP  68   7.922  -2.468  11.754
  532   1HB   TRP  68          2HB       TRP  68   7.059  -4.514  11.046
  533   2HB   TRP  68          3HB       TRP  68   5.785  -3.486  11.631
  534    HD1  TRP  68           1HD      TRP  68   6.932  -5.414   8.688
  535    HE1  TRP  68           1HE      TRP  68   4.988  -5.472   6.949
  536    HE3  TRP  68           3HE      TRP  68   4.121  -1.769  10.664
  537    HZ2  TRP  68           2HZ      TRP  68   2.533  -4.072   6.542
  538    HZ3  TRP  68           3HZ      TRP  68   1.979  -1.164   9.601
  539    HH2  TRP  68           2HH      TRP  68   1.226  -2.274   7.570
  540    HA   PRO  69           HA       PRO  69  11.517  -2.590   9.567
  541   1HB   PRO  69          2HB       PRO  69  11.055  -5.544   9.333
  542   2HB   PRO  69          3HB       PRO  69  12.544  -4.672   9.724
  543   1HG   PRO  69          2HG       PRO  69  11.001  -5.723  11.644
  544   2HG   PRO  69          3HG       PRO  69  11.859  -4.190  11.872
  545   1HD   PRO  69          2HD       PRO  69   8.982  -4.682  11.596
  546   2HD   PRO  69          3HD       PRO  69   9.825  -3.246  12.205
  547    H    THR  70           HN       THR  70   9.088  -4.637   7.843
  548    HA   THR  70           HA       THR  70  10.161  -3.492   5.372
  549    HB   THR  70           HB       THR  70  10.020  -5.754   4.286
  550    HG1  THR  70           1HG      THR  70   9.915  -7.558   5.568
  551   1HG2  THR  70          1HG2      THR  70  12.190  -6.518   5.101
  552   2HG2  THR  70          2HG2      THR  70  12.031  -5.478   6.517
  553   3HG2  THR  70          3HG2      THR  70  12.169  -4.766   4.907
  554    H    PHE  71           HN       PHE  71   8.455  -5.754   4.115
  555    HA   PHE  71           HA       PHE  71   5.819  -4.493   4.420
  556   1HB   PHE  71          2HB       PHE  71   7.217  -4.978   1.769
  557   2HB   PHE  71          3HB       PHE  71   5.639  -4.240   1.980
  558    HD1  PHE  71           1HD      PHE  71   9.266  -3.763   2.479
  559    HD2  PHE  71           2HD      PHE  71   5.439  -1.908   2.410
  560    HE1  PHE  71           1HE      PHE  71  10.335  -1.557   2.538
  561    HE2  PHE  71           2HE      PHE  71   6.512   0.309   2.488
  562    HZ   PHE  71           HZ       PHE  71   8.959   0.478   2.523
  563    HA   PRO  72           HA       PRO  72   4.599  -5.138   1.507
  564   1HB   PRO  72          2HB       PRO  72   2.025  -6.040   1.468
  565   2HB   PRO  72          3HB       PRO  72   3.294  -6.657   0.408
  566   1HG   PRO  72          2HG       PRO  72   2.213  -7.810   2.943
  567   2HG   PRO  72          3HG       PRO  72   2.659  -8.632   1.437
  568   1HD   PRO  72          2HD       PRO  72   4.255  -8.627   3.615
  569   2HD   PRO  72          3HD       PRO  72   4.903  -8.651   1.963
  570    H    GLN  73           HN       GLN  73   3.410  -3.294   1.827
  571    HA   GLN  73           HA       GLN  73   1.860  -3.086   4.315
  572   1HB   GLN  73          2HB       GLN  73   3.683  -0.886   3.351
  573   2HB   GLN  73          3HB       GLN  73   2.705  -0.883   4.805
  574   1HG   GLN  73          2HG       GLN  73   4.092  -2.734   5.684
  575   2HG   GLN  73          3HG       GLN  73   5.122  -2.588   4.258
  576   1HE2  GLN  73          1HE2      GLN  73   5.209  -1.953   7.340
  577   2HE2  GLN  73          2HE2      GLN  73   6.052  -0.447   7.367
  578    H    LEU  74           HN       LEU  74  -0.045  -2.191   3.992
  579    HA   LEU  74           HA       LEU  74  -0.699  -1.073   1.379
  580   1HB   LEU  74          2HB       LEU  74  -2.093  -2.871   2.378
  581   2HB   LEU  74          3HB       LEU  74  -2.480  -1.804   3.707
  582    HG   LEU  74           HG       LEU  74  -4.290  -2.067   1.992
  583   1HD1  LEU  74          1HD1      LEU  74  -4.821  -0.185   3.104
  584   2HD1  LEU  74          2HD1      LEU  74  -3.207   0.502   2.931
  585   3HD1  LEU  74          3HD1      LEU  74  -4.355   0.603   1.595
  586   1HD2  LEU  74          1HD2      LEU  74  -4.103  -1.177  -0.156
  587   2HD2  LEU  74          2HD2      LEU  74  -2.613  -0.316   0.233
  588   3HD2  LEU  74          3HD2      LEU  74  -2.602  -2.073   0.087
  589    H    TRP  75           HN       TRP  75  -1.255   1.046   1.087
  590    HA   TRP  75           HA       TRP  75  -1.331   2.733   3.494
  591   1HB   TRP  75          2HB       TRP  75   0.003   3.363   0.865
  592   2HB   TRP  75          3HB       TRP  75  -0.253   4.532   2.155
  593    HD1  TRP  75           1HD      TRP  75   1.708   1.250   1.521
  594    HE1  TRP  75           1HE      TRP  75   3.722   1.241   3.130
  595    HE3  TRP  75           3HE      TRP  75   0.632   5.467   4.151
  596    HZ2  TRP  75           2HZ      TRP  75   4.681   2.829   5.274
  597    HZ3  TRP  75           3HZ      TRP  75   2.136   6.149   5.965
  598    HH2  TRP  75           2HH      TRP  75   4.120   4.857   6.507
  599    H    VAL  76           HN       VAL  76  -2.988   3.983   3.686
  600    HA   VAL  76           HA       VAL  76  -4.744   4.434   1.352
  601    HB   VAL  76           HB       VAL  76  -5.467   4.256   4.299
  602   1HG1  VAL  76          1HG1      VAL  76  -7.836   4.184   3.146
  603   2HG1  VAL  76          2HG1      VAL  76  -7.053   5.706   3.589
  604   3HG1  VAL  76          3HG1      VAL  76  -6.992   5.139   1.921
  605   1HG2  VAL  76          1HG2      VAL  76  -5.046   2.071   3.419
  606   2HG2  VAL  76          2HG2      VAL  76  -6.790   2.280   3.587
  607   3HG2  VAL  76          3HG2      VAL  76  -6.035   2.403   1.997
  608    H    ASP  77           HN       ASP  77  -4.706   6.560   0.720
  609    HA   ASP  77           HA       ASP  77  -4.449   8.845   0.737
  610   1HB   ASP  77          2HB       ASP  77  -6.405   8.490   2.304
  611   2HB   ASP  77          3HB       ASP  77  -5.240   8.575   3.623
  612    H    GLY  78           HN       GLY  78  -2.299   7.133   1.398
  613   1HA   GLY  78          1HA       GLY  78  -0.050   7.344   1.875
  614   2HA   GLY  78          2HA       GLY  78  -0.356   9.023   2.277
  615    H    GLU  79           HN       GLU  79  -2.100   6.435   3.852
  616    HA   GLU  79           HA       GLU  79  -0.412   6.758   6.222
  617   1HB   GLU  79          2HB       GLU  79  -3.422   6.726   6.183
  618   2HB   GLU  79          3HB       GLU  79  -2.450   6.600   7.644
  619   1HG   GLU  79          2HG       GLU  79  -1.459   8.791   7.143
  620   2HG   GLU  79          3HG       GLU  79  -2.501   8.919   5.729
  621    H    LEU  80           HN       LEU  80   0.128   4.994   7.284
  622    HA   LEU  80           HA       LEU  80   0.054   2.567   5.946
  623   1HB   LEU  80          2HB       LEU  80   1.859   3.135   7.412
  624   2HB   LEU  80          3HB       LEU  80   0.773   3.239   8.795
  625    HG   LEU  80           HG       LEU  80   0.302   0.754   8.361
  626   1HD1  LEU  80          1HD1      LEU  80   1.209   0.025   6.446
  627   2HD1  LEU  80          2HD1      LEU  80   2.461   1.271   6.437
  628   3HD1  LEU  80          3HD1      LEU  80   2.654  -0.166   7.450
  629   1HD2  LEU  80          1HD2      LEU  80   1.415   1.307  10.322
  630   2HD2  LEU  80          2HD2      LEU  80   2.505   0.165   9.532
  631   3HD2  LEU  80          3HD2      LEU  80   2.838   1.895   9.460
  632    H    VAL  81           HN       VAL  81  -1.091   0.791   6.069
  633    HA   VAL  81           HA       VAL  81  -3.072   0.492   8.222
  634    HB   VAL  81           HB       VAL  81  -3.370  -0.415   5.345
  635   1HG1  VAL  81          1HG1      VAL  81  -4.450  -2.103   6.463
  636   2HG1  VAL  81          2HG1      VAL  81  -4.906  -1.063   7.814
  637   3HG1  VAL  81          3HG1      VAL  81  -5.759  -0.934   6.276
  638   1HG2  VAL  81          1HG2      VAL  81  -4.353   1.914   6.843
  639   2HG2  VAL  81          2HG2      VAL  81  -4.119   1.689   5.109
  640   3HG2  VAL  81          3HG2      VAL  81  -5.572   1.064   5.890
  641    H    GLY  82           HN       GLY  82  -1.262  -1.248   5.708
  642   1HA   GLY  82          1HA       GLY  82   0.501  -2.787   6.624
  643   2HA   GLY  82          2HA       GLY  82  -0.775  -3.482   7.601
  644    H    GLY  83           HN       GLY  83   1.029  -4.338   5.234
  645   1HA   GLY  83          1HA       GLY  83  -0.814  -4.679   3.091
  646   2HA   GLY  83          2HA       GLY  83   0.858  -5.190   3.115
  647    H    CYS  84           HN       CYS  84   1.134  -7.197   4.737
  648    HA   CYS  84           HA       CYS  84  -0.046  -9.162   3.175
  649   1HB   CYS  84          2HB       CYS  84   1.061 -10.780   4.735
  650   2HB   CYS  84          3HB       CYS  84   2.115  -9.540   4.065
  651    HG   CYS  84           HG       CYS  84   1.640 -10.327   7.191
  652    H    ASP  85           HN       ASP  85  -0.399  -9.103   6.721
  653    HA   ASP  85           HA       ASP  85  -2.768 -10.739   6.529
  654   1HB   ASP  85          2HB       ASP  85  -1.479  -9.424   8.929
  655   2HB   ASP  85          3HB       ASP  85  -2.809 -10.574   8.998
  656    H    ILE  86           HN       ILE  86  -1.976  -7.454   7.378
  657    HA   ILE  86           HA       ILE  86  -4.392  -6.707   8.439
  658    HB   ILE  86           HB       ILE  86  -2.481  -4.886   6.965
  659   1HG1  ILE  86          2HG1      ILE  86  -1.740  -4.282   9.311
  660   2HG1  ILE  86          3HG1      ILE  86  -2.637  -5.677   9.885
  661   1HG2  ILE  86          1HG2      ILE  86  -4.915  -4.168   7.479
  662   2HG2  ILE  86          2HG2      ILE  86  -4.350  -4.058   9.146
  663   3HG2  ILE  86          3HG2      ILE  86  -3.589  -3.079   7.892
  664   1HD1  ILE  86          1HD1      ILE  86  -0.604  -6.115   7.774
  665   2HD1  ILE  86          2HD1      ILE  86  -0.051  -5.768   9.412
  666   3HD1  ILE  86          3HD1      ILE  86  -1.098  -7.155   9.111
  667    H    VAL  87           HN       VAL  87  -3.351  -6.396   5.024
  668    HA   VAL  87           HA       VAL  87  -5.659  -5.093   4.105
  669    HB   VAL  87           HB       VAL  87  -3.838  -6.991   2.607
  670   1HG1  VAL  87          1HG1      VAL  87  -5.654  -7.050   1.213
  671   2HG1  VAL  87          2HG1      VAL  87  -6.264  -5.490   1.763
  672   3HG1  VAL  87          3HG1      VAL  87  -4.903  -5.560   0.646
  673   1HG2  VAL  87          1HG2      VAL  87  -3.403  -4.568   1.548
  674   2HG2  VAL  87          2HG2      VAL  87  -3.826  -4.098   3.195
  675   3HG2  VAL  87          3HG2      VAL  87  -2.483  -5.206   2.912
  676    H    ILE  88           HN       ILE  88  -4.910  -8.567   4.297
  677    HA   ILE  88           HA       ILE  88  -7.357  -9.473   3.255
  678    HB   ILE  88           HB       ILE  88  -5.439 -10.804   5.167
  679   1HG1  ILE  88          2HG1      ILE  88  -4.597 -10.369   2.872
  680   2HG1  ILE  88          3HG1      ILE  88  -4.767 -12.093   3.203
  681   1HG2  ILE  88          1HG2      ILE  88  -7.782 -12.062   3.739
  682   2HG2  ILE  88          2HG2      ILE  88  -6.620 -12.881   4.782
  683   3HG2  ILE  88          3HG2      ILE  88  -7.727 -11.688   5.461
  684   1HD1  ILE  88          1HD1      ILE  88  -5.862 -12.206   1.278
  685   2HD1  ILE  88          2HD1      ILE  88  -7.200 -11.402   2.100
  686   3HD1  ILE  88          3HD1      ILE  88  -6.030 -10.453   1.182
  687    H    GLU  89           HN       GLU  89  -6.350  -8.849   6.629
  688    HA   GLU  89           HA       GLU  89  -8.798  -9.624   7.798
  689   1HB   GLU  89          2HB       GLU  89  -6.789  -9.273   9.156
  690   2HB   GLU  89          3HB       GLU  89  -6.809  -7.557   8.765
  691   1HG   GLU  89          2HG       GLU  89  -9.010  -7.367   9.885
  692   2HG   GLU  89          3HG       GLU  89  -8.883  -9.061  10.346
  693    H    MET  90           HN       MET  90  -7.631  -6.353   6.945
  694    HA   MET  90           HA       MET  90  -9.984  -4.984   7.591
  695   1HB   MET  90          2HB       MET  90  -7.821  -4.315   5.600
  696   2HB   MET  90          3HB       MET  90  -9.118  -3.207   6.030
  697   1HG   MET  90          2HG       MET  90  -7.067  -4.353   7.911
  698   2HG   MET  90          3HG       MET  90  -7.081  -2.716   7.257
  699   1HE   MET  90          1HE       MET  90  -6.925  -1.701   9.748
  700   2HE   MET  90          2HE       MET  90  -7.986  -2.226  11.056
  701   3HE   MET  90          3HE       MET  90  -6.847  -3.361  10.336
  702    H    TYR  91           HN       TYR  91  -9.055  -6.640   4.682
  703    HA   TYR  91           HA       TYR  91 -11.168  -5.926   2.948
  704   1HB   TYR  91          2HB       TYR  91  -9.358  -7.116   2.038
  705   2HB   TYR  91          3HB       TYR  91  -9.334  -8.279   3.349
  706    HD1  TYR  91           1HD      TYR  91 -10.107 -10.365   2.988
  707    HD2  TYR  91           2HD      TYR  91 -11.495  -7.240   0.477
  708    HE1  TYR  91           1HE      TYR  91 -11.233 -12.014   1.586
  709    HE2  TYR  91           2HE      TYR  91 -12.647  -8.862  -0.931
  710    HH   TYR  91           HH       TYR  91 -13.603 -11.529  -0.260
  711    H    GLN  92           HN       GLN  92 -10.841  -8.630   5.241
  712    HA   GLN  92           HA       GLN  92 -13.482  -9.592   4.878
  713   1HB   GLN  92          2HB       GLN  92 -11.632  -9.958   7.245
  714   2HB   GLN  92          3HB       GLN  92 -13.060 -10.926   6.895
  715   1HG   GLN  92          2HG       GLN  92 -12.024 -11.657   4.788
  716   2HG   GLN  92          3HG       GLN  92 -10.582 -10.731   5.191
  717   1HE2  GLN  92          1HE2      GLN  92 -11.724 -13.701   5.056
  718   2HE2  GLN  92          2HE2      GLN  92 -10.837 -14.462   6.337
  719    H    ARG  93           HN       ARG  93 -12.020  -7.301   7.094
  720    HA   ARG  93           HA       ARG  93 -14.163  -6.806   8.848
  721   1HB   ARG  93          2HB       ARG  93 -12.064  -4.887   7.815
  722   2HB   ARG  93          3HB       ARG  93 -13.061  -4.639   9.234
  723   1HG   ARG  93          2HG       ARG  93 -11.099  -6.891   8.926
  724   2HG   ARG  93          3HG       ARG  93 -10.734  -5.353   9.708
  725   1HD   ARG  93          2HD       ARG  93 -12.915  -7.243  10.562
  726   2HD   ARG  93          3HD       ARG  93 -11.317  -7.154  11.299
  727    HE   ARG  93           HE       ARG  93 -12.431  -4.579  11.316
  728   1HH1  ARG  93          2HH1      ARG  93 -12.987  -7.722  12.768
  729   2HH1  ARG  93          1HH1      ARG  93 -13.642  -7.066  14.241
  730   1HH2  ARG  93          2HH2      ARG  93 -13.304  -3.718  13.229
  731   2HH2  ARG  93          1HH2      ARG  93 -13.852  -4.780  14.491
  732    H    GLY  94           HN       GLY  94 -13.417  -5.626   5.631
  733   1HA   GLY  94          1HA       GLY  94 -14.892  -4.546   4.116
  734   2HA   GLY  94          2HA       GLY  94 -16.006  -4.251   5.450
  735    H    GLU  95           HN       GLU  95 -13.673  -3.427   7.116
  736    HA   GLU  95           HA       GLU  95 -13.871  -0.674   6.836
  737   1HB   GLU  95          2HB       GLU  95 -11.760  -2.328   8.225
  738   2HB   GLU  95          3HB       GLU  95 -11.969  -0.592   8.433
  739   1HG   GLU  95          2HG       GLU  95 -14.197  -0.935   9.315
  740   2HG   GLU  95          3HG       GLU  95 -14.059  -2.670   9.044
  741    H    LEU  96           HN       LEU  96 -11.650  -2.894   5.302
  742    HA   LEU  96           HA       LEU  96  -9.588  -1.127   4.585
  743   1HB   LEU  96          2HB       LEU  96  -9.396  -3.548   4.325
  744   2HB   LEU  96          3HB       LEU  96 -10.631  -3.524   3.081
  745    HG   LEU  96           HG       LEU  96  -9.127  -2.143   1.666
  746   1HD1  LEU  96          1HD1      LEU  96  -7.820  -1.309   3.702
  747   2HD1  LEU  96          2HD1      LEU  96  -6.924  -2.823   3.582
  748   3HD1  LEU  96          3HD1      LEU  96  -6.913  -1.681   2.236
  749   1HD2  LEU  96          1HD2      LEU  96  -9.100  -4.858   2.100
  750   2HD2  LEU  96          2HD2      LEU  96  -8.339  -4.016   0.750
  751   3HD2  LEU  96          3HD2      LEU  96  -7.394  -4.420   2.183
  752    H    GLN  97           HN       GLN  97 -12.318  -2.232   2.658
  753    HA   GLN  97           HA       GLN  97 -11.960  -0.385   0.542
  754   1HB   GLN  97          2HB       GLN  97 -14.365  -0.948  -0.003
  755   2HB   GLN  97          3HB       GLN  97 -13.247  -2.298   0.039
  756   1HG   GLN  97          2HG       GLN  97 -14.025  -2.801   2.336
  757   2HG   GLN  97          3HG       GLN  97 -15.213  -1.510   2.172
  758   1HE2  GLN  97          1HE2      GLN  97 -14.645  -4.758   1.831
  759   2HE2  GLN  97          2HE2      GLN  97 -16.005  -5.154   0.831
  760    H    GLN  98           HN       GLN  98 -13.501  -0.181   3.622
  761    HA   GLN  98           HA       GLN  98 -15.064   2.135   3.184
  762   1HB   GLN  98          2HB       GLN  98 -13.810   0.953   5.660
  763   2HB   GLN  98          3HB       GLN  98 -14.809   2.388   5.706
  764   1HG   GLN  98          2HG       GLN  98 -15.700  -0.292   4.679
  765   2HG   GLN  98          3HG       GLN  98 -16.014   0.322   6.299
  766   1HE2  GLN  98          1HE2      GLN  98 -16.172   3.023   4.603
  767   2HE2  GLN  98          2HE2      GLN  98 -17.841   3.040   4.158
  768    H    LEU  99           HN       LEU  99 -11.781   1.610   4.359
  769    HA   LEU  99           HA       LEU  99 -11.103   4.355   4.632
  770   1HB   LEU  99          2HB       LEU  99  -9.215   2.079   4.023
  771   2HB   LEU  99          3HB       LEU  99  -8.833   3.591   4.825
  772    HG   LEU  99           HG       LEU  99 -10.526   1.355   5.947
  773   1HD1  LEU  99          1HD1      LEU  99  -8.617   1.335   7.637
  774   2HD1  LEU  99          2HD1      LEU  99  -8.283   0.668   6.040
  775   3HD1  LEU  99          3HD1      LEU  99  -7.711   2.282   6.459
  776   1HD2  LEU  99          1HD2      LEU  99 -11.076   3.816   6.562
  777   2HD2  LEU  99          2HD2      LEU  99 -10.895   2.629   7.854
  778   3HD2  LEU  99          3HD2      LEU  99  -9.579   3.746   7.490
  779    H    ILE 100           HN       ILE 100 -10.643   1.938   2.088
  780    HA   ILE 100           HA       ILE 100  -9.153   3.546   0.351
  781    HB   ILE 100           HB       ILE 100 -11.037   1.305  -0.402
  782   1HG1  ILE 100          2HG1      ILE 100  -9.304   0.560   1.156
  783   2HG1  ILE 100          3HG1      ILE 100  -9.011  -0.095  -0.450
  784   1HG2  ILE 100          1HG2      ILE 100  -9.724   3.146  -2.053
  785   2HG2  ILE 100          2HG2      ILE 100  -8.782   1.658  -2.153
  786   3HG2  ILE 100          3HG2      ILE 100 -10.502   1.638  -2.534
  787   1HD1  ILE 100          1HD1      ILE 100  -7.461   2.003  -0.677
  788   2HD1  ILE 100          2HD1      ILE 100  -7.476   1.932   1.085
  789   3HD1  ILE 100          3HD1      ILE 100  -6.908   0.548   0.151
  790    H    LYS 101           HN       LYS 101 -12.680   2.982   0.458
  791    HA   LYS 101           HA       LYS 101 -13.281   4.549  -1.774
  792   1HB   LYS 101          2HB       LYS 101 -14.929   3.028  -0.822
  793   2HB   LYS 101          3HB       LYS 101 -14.999   4.001   0.649
  794   1HG   LYS 101          2HG       LYS 101 -15.768   5.899  -0.654
  795   2HG   LYS 101          3HG       LYS 101 -15.733   4.924  -2.104
  796   1HD   LYS 101          2HD       LYS 101 -17.998   5.070  -1.325
  797   2HD   LYS 101          3HD       LYS 101 -17.422   3.423  -1.076
  798   1HE   LYS 101          2HE       LYS 101 -17.049   3.873   1.271
  799   2HE   LYS 101          3HE       LYS 101 -17.488   5.567   1.045
  800   1HZ   LYS 101          1HZ       LYS 101 -19.534   4.931   1.578
  801   2HZ   LYS 101          2HZ       LYS 101 -19.182   3.282   1.408
  802   3HZ   LYS 101          3HZ       LYS 101 -19.626   4.202   0.048
  803    H    GLU 102           HN       GLU 102 -13.311   5.382   1.663
  804    HA   GLU 102           HA       GLU 102 -14.177   8.015   1.451
  805   1HB   GLU 102          2HB       GLU 102 -13.970   6.844   3.579
  806   2HB   GLU 102          3HB       GLU 102 -12.223   6.786   3.403
  807   1HG   GLU 102          2HG       GLU 102 -12.129   9.224   3.548
  808   2HG   GLU 102          3HG       GLU 102 -13.882   9.274   3.736
  809    H    THR 103           HN       THR 103 -10.941   6.682   1.314
  810    HA   THR 103           HA       THR 103  -9.591   9.144   0.877
  811    HB   THR 103           HB       THR 103  -8.752   6.305   0.387
  812    HG1  THR 103           1HG      THR 103  -8.982   6.475   2.531
  813   1HG2  THR 103          1HG2      THR 103  -6.460   7.337   0.627
  814   2HG2  THR 103          2HG2      THR 103  -7.252   8.894   0.382
  815   3HG2  THR 103          3HG2      THR 103  -7.315   7.665  -0.882
  816    H    ALA 104           HN       ALA 104 -10.632   6.527  -1.293
  817    HA   ALA 104           HA       ALA 104  -9.535   7.581  -3.641
  818   1HB   ALA 104          1HB       ALA 104 -12.113   6.208  -3.949
  819   2HB   ALA 104          2HB       ALA 104 -10.535   5.835  -4.644
  820   3HB   ALA 104          3HB       ALA 104 -10.918   5.328  -2.999
  821    H    ALA 105           HN       ALA 105 -12.683   8.011  -2.106
  822    HA   ALA 105           HA       ALA 105 -13.881   9.616  -4.053
  823   1HB   ALA 105          1HB       ALA 105 -15.482   8.964  -2.619
  824   2HB   ALA 105          2HB       ALA 105 -14.397   8.967  -1.227
  825   3HB   ALA 105          3HB       ALA 105 -15.093  10.482  -1.808
  826    H    LYS 106           HN       LYS 106 -11.881  10.499  -1.222
  827    HA   LYS 106           HA       LYS 106 -12.286  13.275  -1.674
  828   1HB   LYS 106          2HB       LYS 106 -10.609  13.689   0.060
  829   2HB   LYS 106          3HB       LYS 106 -11.845  12.559   0.573
  830   1HG   LYS 106          2HG       LYS 106  -9.885  11.689   1.437
  831   2HG   LYS 106          3HG       LYS 106 -10.169  10.737  -0.020
  832   1HD   LYS 106          2HD       LYS 106  -7.836  11.315   0.120
  833   2HD   LYS 106          3HD       LYS 106  -8.564  12.175  -1.231
  834   1HE   LYS 106          2HE       LYS 106  -7.126  13.692  -0.075
  835   2HE   LYS 106          3HE       LYS 106  -8.789  14.167   0.258
  836   1HZ   LYS 106          1HZ       LYS 106  -6.893  13.821   2.128
  837   2HZ   LYS 106          2HZ       LYS 106  -7.653  12.310   2.165
  838   3HZ   LYS 106          3HZ       LYS 106  -8.558  13.725   2.433
  839    H    TYR 107           HN       TYR 107  -9.895  10.985  -2.822
  840    HA   TYR 107           HA       TYR 107  -8.209  13.078  -3.874
  841   1HB   TYR 107          2HB       TYR 107  -8.157  10.099  -4.199
  842   2HB   TYR 107          3HB       TYR 107  -7.158  11.139  -5.203
  843    HD1  TYR 107           1HD      TYR 107  -7.606   9.674  -1.884
  844    HD2  TYR 107           2HD      TYR 107  -5.369  12.467  -4.196
  845    HE1  TYR 107           1HE      TYR 107  -5.891   9.725  -0.161
  846    HE2  TYR 107           2HE      TYR 107  -3.628  12.507  -2.469
  847    HH   TYR 107           HH       TYR 107  -2.805  10.958  -0.649
  848    H    LYS 108           HN       LYS 108 -10.546  10.767  -5.345
  849    HA   LYS 108           HA       LYS 108 -10.412  12.432  -7.751
  850   1HB   LYS 108          2HB       LYS 108 -11.558   9.686  -7.442
  851   2HB   LYS 108          3HB       LYS 108 -11.758  10.669  -8.880
  852   1HG   LYS 108          2HG       LYS 108 -10.015   9.245  -9.416
  853   2HG   LYS 108          3HG       LYS 108  -9.215  10.754  -8.987
  854   1HD   LYS 108          2HD       LYS 108  -8.089   8.775  -8.041
  855   2HD   LYS 108          3HD       LYS 108  -8.686   9.872  -6.786
  856   1HE   LYS 108          2HE       LYS 108 -10.582   8.522  -6.400
  857   2HE   LYS 108          3HE       LYS 108 -10.223   7.498  -7.789
  858   1HZ   LYS 108          1HZ       LYS 108  -8.041   7.020  -6.516
  859   2HZ   LYS 108          2HZ       LYS 108  -9.463   6.230  -6.033
  860   3HZ   LYS 108          3HZ       LYS 108  -8.897   7.569  -5.162
  861    H    SER 109           HN       SER 109 -13.127  11.393  -8.418
  862    HA   SER 109           HA       SER 109 -14.681  13.325  -6.890
  863   1HB   SER 109          2HB       SER 109 -15.490  11.489  -9.163
  864   2HB   SER 109          3HB       SER 109 -16.520  12.710  -8.418
  865    HG   SER 109           HG       SER 109 -14.981  14.286  -9.092
  866    H    GLU 110           HN       GLU 110 -17.082  11.737  -6.975
  867    HA   GLU 110           HA       GLU 110 -16.764  10.300  -4.552
  868   1HB   GLU 110          2HB       GLU 110 -19.079  10.569  -6.453
  869   2HB   GLU 110          3HB       GLU 110 -19.169   9.629  -4.971
  870   1HG   GLU 110          2HG       GLU 110 -20.106  11.735  -4.512
  871   2HG   GLU 110          3HG       GLU 110 -18.539  11.699  -3.719
  872    H    GLU 111           HN       GLU 111 -14.959   8.978  -5.773
  873    HA   GLU 111           HA       GLU 111 -15.696   6.736  -7.328
  874   1HB   GLU 111          2HB       GLU 111 -13.404   7.108  -5.387
  875   2HB   GLU 111          3HB       GLU 111 -13.559   5.742  -6.489
  876   1HG   GLU 111          2HG       GLU 111 -13.368   8.624  -7.341
  877   2HG   GLU 111          3HG       GLU 111 -12.021   7.487  -7.299
  878    HA   PRO 112           HA       PRO 112 -17.811   4.731  -4.030
  879   1HB   PRO 112          2HB       PRO 112 -19.143   2.967  -5.524
  880   2HB   PRO 112          3HB       PRO 112 -19.542   4.685  -5.530
  881   1HG   PRO 112          2HG       PRO 112 -18.138   3.051  -7.564
  882   2HG   PRO 112          3HG       PRO 112 -19.125   4.507  -7.775
  883   1HD   PRO 112          2HD       PRO 112 -16.304   4.356  -7.721
  884   2HD   PRO 112          3HD       PRO 112 -17.297   5.821  -7.700
  885    H    ASP 113           HN       ASP 113 -15.210   3.888  -4.167
  886    HA   ASP 113           HA       ASP 113 -14.591   1.337  -4.895
  887   1HB   ASP 113          2HB       ASP 113 -13.604   2.924  -2.523
  888   2HB   ASP 113          3HB       ASP 113 -12.866   1.408  -3.054
  889    H    ALA 114           HN       ALA 114 -15.846   2.250  -1.671
  890    HA   ALA 114           HA       ALA 114 -16.282  -0.569  -1.065
  891   1HB   ALA 114          1HB       ALA 114 -15.692   0.229   0.949
  892   2HB   ALA 114          2HB       ALA 114 -16.115   1.889   0.518
  893   3HB   ALA 114          3HB       ALA 114 -17.370   0.769   1.047
  894    H    GLU 115           HN       GLU 115 -18.200   2.402  -1.396
  895    HA   GLU 115           HA       GLU 115 -20.415   0.980  -2.520
  896   1HB   GLU 115          2HB       GLU 115 -20.628   0.595  -0.015
  897   2HB   GLU 115          3HB       GLU 115 -20.848   2.327   0.160
  898   1HG   GLU 115          2HG       GLU 115 -22.646   0.497  -1.417
  899   2HG   GLU 115          3HG       GLU 115 -22.955   1.067   0.218
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  23.538   8.841  -1.264
    2   2H    MET   1          2H        MET   1  22.701   7.468  -1.791
    3   3H    MET   1          3H        MET   1  23.505   7.448  -0.298
    4    HA   MET   1           HA       MET   1  21.271   7.709   0.233
    5   1HB   MET   1          2HB       MET   1  21.177   9.964   1.201
    6   2HB   MET   1          3HB       MET   1  22.755   9.238   1.444
    7   1HG   MET   1          2HG       MET   1  22.098  11.263  -0.684
    8   2HG   MET   1          3HG       MET   1  22.846  11.629   0.867
    9   1HE   MET   1          1HE       MET   1  24.582   9.755   1.620
   10   2HE   MET   1          2HE       MET   1  25.877   9.152   0.585
   11   3HE   MET   1          3HE       MET   1  25.917  10.815   1.173
   12    H    SER   2           HN       SER   2  19.271   7.986  -0.491
   13    HA   SER   2           HA       SER   2  18.493  10.022  -2.340
   14   1HB   SER   2          2HB       SER   2  17.949   8.445  -4.223
   15   2HB   SER   2          3HB       SER   2  19.677   8.667  -3.956
   16    HG   SER   2           HG       SER   2  18.518   6.402  -4.136
   17    H    THR   3           HN       THR   3  17.835   6.818  -1.033
   18    HA   THR   3           HA       THR   3  14.989   7.038  -1.209
   19    HB   THR   3           HB       THR   3  15.010   4.997   0.238
   20    HG1  THR   3           1HG      THR   3  16.794   4.851   1.392
   21   1HG2  THR   3          1HG2      THR   3  15.698   3.564  -1.487
   22   2HG2  THR   3          2HG2      THR   3  16.942   4.685  -2.041
   23   3HG2  THR   3          3HG2      THR   3  15.239   5.054  -2.311
   24    H    THR   4           HN       THR   4  15.828   9.336   0.015
   25    HA   THR   4           HA       THR   4  15.740   9.177   2.854
   26    HB   THR   4           HB       THR   4  15.394  11.641   2.772
   27    HG1  THR   4           1HG      THR   4  15.437  12.648   0.718
   28   1HG2  THR   4          1HG2      THR   4  17.569  12.181   1.970
   29   2HG2  THR   4          2HG2      THR   4  17.587  10.785   0.890
   30   3HG2  THR   4          3HG2      THR   4  17.658  10.549   2.638
   31    H    ILE   5           HN       ILE   5  14.076   9.360   4.228
   32    HA   ILE   5           HA       ILE   5  11.533   8.545   3.445
   33    HB   ILE   5           HB       ILE   5  12.555   9.768   5.995
   34   1HG1  ILE   5          2HG1      ILE   5  11.404   7.045   5.467
   35   2HG1  ILE   5          3HG1      ILE   5  13.112   7.391   5.190
   36   1HG2  ILE   5          1HG2      ILE   5  10.381   9.066   6.999
   37   2HG2  ILE   5          2HG2      ILE   5  10.262  10.444   5.904
   38   3HG2  ILE   5          3HG2      ILE   5   9.760   8.841   5.361
   39   1HD1  ILE   5          1HD1      ILE   5  13.107   6.470   7.305
   40   2HD1  ILE   5          2HD1      ILE   5  13.066   8.199   7.659
   41   3HD1  ILE   5          3HD1      ILE   5  11.585   7.243   7.751
   42    H    GLU   6           HN       GLU   6  12.871  11.754   3.760
   43    HA   GLU   6           HA       GLU   6  10.526  13.273   3.779
   44   1HB   GLU   6          2HB       GLU   6  13.153  13.878   2.408
   45   2HB   GLU   6          3HB       GLU   6  11.890  15.054   2.745
   46   1HG   GLU   6          2HG       GLU   6  13.407  13.487   4.816
   47   2HG   GLU   6          3HG       GLU   6  13.732  15.157   4.356
   48    H    LYS   7           HN       LYS   7  12.381  11.979   1.035
   49    HA   LYS   7           HA       LYS   7  10.580  12.911  -0.968
   50   1HB   LYS   7          2HB       LYS   7  12.557  10.622  -1.046
   51   2HB   LYS   7          3HB       LYS   7  11.720  11.283  -2.441
   52   1HG   LYS   7          2HG       LYS   7  12.839  13.439  -2.064
   53   2HG   LYS   7          3HG       LYS   7  13.713  12.726  -0.707
   54   1HD   LYS   7          2HD       LYS   7  14.695  11.066  -2.231
   55   2HD   LYS   7          3HD       LYS   7  13.839  11.813  -3.580
   56   1HE   LYS   7          2HE       LYS   7  15.047  13.916  -3.146
   57   2HE   LYS   7          3HE       LYS   7  15.936  13.116  -1.850
   58   1HZ   LYS   7          1HZ       LYS   7  16.092  11.613  -4.255
   59   2HZ   LYS   7          2HZ       LYS   7  17.349  12.267  -3.319
   60   3HZ   LYS   7          3HZ       LYS   7  16.610  13.208  -4.521
   61    H    ILE   8           HN       ILE   8  10.989   9.875   0.790
   62    HA   ILE   8           HA       ILE   8   9.146   8.368  -0.630
   63    HB   ILE   8           HB       ILE   8  10.119   8.083   2.209
   64   1HG1  ILE   8          2HG1      ILE   8  10.879   6.666  -0.355
   65   2HG1  ILE   8          3HG1      ILE   8  11.804   7.966   0.387
   66   1HG2  ILE   8          1HG2      ILE   8   8.187   6.843   2.278
   67   2HG2  ILE   8          2HG2      ILE   8   8.294   6.383   0.577
   68   3HG2  ILE   8          3HG2      ILE   8   9.378   5.648   1.759
   69   1HD1  ILE   8          1HD1      ILE   8  11.323   5.869   2.283
   70   2HD1  ILE   8          2HD1      ILE   8  12.065   5.231   0.816
   71   3HD1  ILE   8          3HD1      ILE   8  12.848   6.536   1.704
   72    H    GLN   9           HN       GLN   9   8.624  10.215   2.408
   73    HA   GLN   9           HA       GLN   9   5.906   9.478   2.620
   74   1HB   GLN   9          2HB       GLN   9   7.373  11.866   3.727
   75   2HB   GLN   9          3HB       GLN   9   5.680  11.536   4.068
   76   1HG   GLN   9          2HG       GLN   9   6.382   9.332   4.998
   77   2HG   GLN   9          3HG       GLN   9   8.054   9.853   4.804
   78   1HE2  GLN   9          1HE2      GLN   9   8.858  10.389   6.688
   79   2HE2  GLN   9          2HE2      GLN   9   8.069  11.341   7.905
   80    H    ARG  10           HN       ARG  10   7.504  12.131   0.975
   81    HA   ARG  10           HA       ARG  10   5.244  13.555   0.176
   82   1HB   ARG  10          2HB       ARG  10   7.468  14.452   0.043
   83   2HB   ARG  10          3HB       ARG  10   7.961  13.179  -1.062
   84   1HG   ARG  10          2HG       ARG  10   7.569  15.320  -2.146
   85   2HG   ARG  10          3HG       ARG  10   6.547  14.030  -2.762
   86   1HD   ARG  10          2HD       ARG  10   5.312  16.134  -2.484
   87   2HD   ARG  10          3HD       ARG  10   4.680  14.848  -1.461
   88    HE   ARG  10           HE       ARG  10   6.554  16.354   0.012
   89   1HH1  ARG  10          2HH1      ARG  10   3.366  16.657  -1.418
   90   2HH1  ARG  10          1HH1      ARG  10   2.794  17.791  -0.225
   91   1HH2  ARG  10          2HH2      ARG  10   5.804  17.837   1.587
   92   2HH2  ARG  10          1HH2      ARG  10   4.181  18.449   1.492
   93    H    GLN  11           HN       GLN  11   6.790  10.656  -1.058
   94    HA   GLN  11           HA       GLN  11   5.256  10.531  -3.484
   95   1HB   GLN  11          2HB       GLN  11   7.448   9.441  -3.292
   96   2HB   GLN  11          3HB       GLN  11   6.813   8.375  -2.047
   97   1HG   GLN  11          2HG       GLN  11   5.242   7.428  -3.669
   98   2HG   GLN  11          3HG       GLN  11   5.900   8.489  -4.912
   99   1HE2  GLN  11          1HE2      GLN  11   8.412   7.698  -2.977
  100   2HE2  GLN  11          2HE2      GLN  11   9.041   6.339  -3.848
  101    H    ILE  12           HN       ILE  12   5.117   8.793  -0.377
  102    HA   ILE  12           HA       ILE  12   2.885   7.214  -1.022
  103    HB   ILE  12           HB       ILE  12   3.685   8.150   1.741
  104   1HG1  ILE  12          2HG1      ILE  12   4.634   5.775   0.121
  105   2HG1  ILE  12          3HG1      ILE  12   5.611   7.134   0.682
  106   1HG2  ILE  12          1HG2      ILE  12   1.613   7.164   2.000
  107   2HG2  ILE  12          2HG2      ILE  12   1.892   5.996   0.707
  108   3HG2  ILE  12          3HG2      ILE  12   2.709   5.801   2.259
  109   1HD1  ILE  12          1HD1      ILE  12   5.011   4.687   2.003
  110   2HD1  ILE  12          2HD1      ILE  12   6.090   5.996   2.498
  111   3HD1  ILE  12          3HD1      ILE  12   4.384   6.039   2.949
  112    H    ALA  13           HN       ALA  13   3.155  10.365   0.420
  113    HA   ALA  13           HA       ALA  13   0.484  10.647   1.229
  114   1HB   ALA  13          1HB       ALA  13   2.817  12.347   1.040
  115   2HB   ALA  13          2HB       ALA  13   1.340  13.218   0.627
  116   3HB   ALA  13          3HB       ALA  13   1.474  12.396   2.181
  117    H    GLU  14           HN       GLU  14   2.071  11.292  -1.860
  118    HA   GLU  14           HA       GLU  14  -0.074  12.816  -2.870
  119   1HB   GLU  14          2HB       GLU  14   1.121  13.041  -4.862
  120   2HB   GLU  14          3HB       GLU  14   2.331  12.959  -3.600
  121   1HG   GLU  14          2HG       GLU  14   3.250  11.656  -5.243
  122   2HG   GLU  14          3HG       GLU  14   2.450  10.458  -4.230
  123    H    ASN  15           HN       ASN  15   0.679   9.359  -3.131
  124    HA   ASN  15           HA       ASN  15  -1.390   8.963  -5.105
  125   1HB   ASN  15          2HB       ASN  15  -0.904   6.469  -3.981
  126   2HB   ASN  15          3HB       ASN  15  -0.192   7.106  -5.448
  127   1HD2  ASN  15          1HD2      ASN  15   1.942   7.022  -5.507
  128   2HD2  ASN  15          2HD2      ASN  15   2.989   7.092  -4.132
  129    HA   PRO  16           HA       PRO  16  -4.920   9.058  -2.540
  130   1HB   PRO  16          2HB       PRO  16  -5.947   7.175  -4.604
  131   2HB   PRO  16          3HB       PRO  16  -6.642   8.699  -4.039
  132   1HG   PRO  16          2HG       PRO  16  -5.462   8.562  -6.409
  133   2HG   PRO  16          3HG       PRO  16  -5.215   9.977  -5.368
  134   1HD   PRO  16          2HD       PRO  16  -3.395   7.664  -5.889
  135   2HD   PRO  16          3HD       PRO  16  -3.009   9.388  -5.706
  136    H    ILE  17           HN       ILE  17  -3.953   6.005  -3.957
  137    HA   ILE  17           HA       ILE  17  -4.455   4.625  -1.413
  138    HB   ILE  17           HB       ILE  17  -5.368   3.562  -4.107
  139   1HG1  ILE  17          2HG1      ILE  17  -6.806   5.463  -3.429
  140   2HG1  ILE  17          3HG1      ILE  17  -7.676   3.932  -3.424
  141   1HG2  ILE  17          1HG2      ILE  17  -6.350   1.762  -2.932
  142   2HG2  ILE  17          2HG2      ILE  17  -4.701   1.934  -2.323
  143   3HG2  ILE  17          3HG2      ILE  17  -6.060   2.534  -1.370
  144   1HD1  ILE  17          1HD1      ILE  17  -6.680   4.283  -0.821
  145   2HD1  ILE  17          2HD1      ILE  17  -7.322   5.853  -1.325
  146   3HD1  ILE  17          3HD1      ILE  17  -8.351   4.415  -1.368
  147    H    LEU  18           HN       LEU  18  -2.576   3.587  -0.973
  148    HA   LEU  18           HA       LEU  18  -0.865   2.842  -3.245
  149   1HB   LEU  18          2HB       LEU  18  -0.250   4.979  -2.063
  150   2HB   LEU  18          3HB       LEU  18   0.083   4.012  -0.637
  151    HG   LEU  18           HG       LEU  18   1.825   2.791  -1.870
  152   1HD1  LEU  18          1HD1      LEU  18   1.865   4.714  -4.088
  153   2HD1  LEU  18          2HD1      LEU  18   2.190   2.981  -4.075
  154   3HD1  LEU  18          3HD1      LEU  18   0.527   3.564  -4.114
  155   1HD2  LEU  18          1HD2      LEU  18   3.449   4.528  -1.835
  156   2HD2  LEU  18          2HD2      LEU  18   2.235   5.766  -2.169
  157   3HD2  LEU  18          3HD2      LEU  18   2.256   4.946  -0.606
  158    H    LEU  19           HN       LEU  19   0.358   1.058  -3.070
  159    HA   LEU  19           HA       LEU  19   0.109  -0.618  -0.667
  160   1HB   LEU  19          2HB       LEU  19  -1.573  -1.465  -2.043
  161   2HB   LEU  19          3HB       LEU  19  -0.653  -1.182  -3.507
  162    HG   LEU  19           HG       LEU  19   0.815  -3.053  -2.981
  163   1HD1  LEU  19          1HD1      LEU  19   0.025  -2.721  -0.376
  164   2HD1  LEU  19          2HD1      LEU  19  -0.906  -4.138  -0.856
  165   3HD1  LEU  19          3HD1      LEU  19   0.851  -4.147  -1.003
  166   1HD2  LEU  19          1HD2      LEU  19  -2.079  -3.868  -2.774
  167   2HD2  LEU  19          2HD2      LEU  19  -1.303  -3.314  -4.258
  168   3HD2  LEU  19          3HD2      LEU  19  -0.742  -4.787  -3.467
  169    H    TYR  20           HN       TYR  20   2.103  -1.257  -0.023
  170    HA   TYR  20           HA       TYR  20   4.213  -1.263  -2.057
  171   1HB   TYR  20          2HB       TYR  20   4.266  -1.149   0.943
  172   2HB   TYR  20          3HB       TYR  20   5.702  -1.599   0.025
  173    HD1  TYR  20           1HD      TYR  20   7.198   0.076  -0.257
  174    HD2  TYR  20           2HD      TYR  20   3.065   1.068  -0.215
  175    HE1  TYR  20           1HE      TYR  20   7.770   2.429  -0.630
  176    HE2  TYR  20           2HE      TYR  20   3.634   3.425  -0.589
  177    HH   TYR  20           HH       TYR  20   6.600   4.450  -1.656
  178    H    MET  21           HN       MET  21   4.651  -3.107  -3.015
  179    HA   MET  21           HA       MET  21   5.094  -5.413  -1.372
  180   1HB   MET  21          2HB       MET  21   3.749  -6.916  -2.811
  181   2HB   MET  21          3HB       MET  21   2.807  -5.817  -1.828
  182   1HG   MET  21          2HG       MET  21   2.667  -4.356  -3.900
  183   2HG   MET  21          3HG       MET  21   3.281  -5.754  -4.783
  184   1HE   MET  21          1HE       MET  21   1.973  -8.055  -2.947
  185   2HE   MET  21          2HE       MET  21   0.449  -8.405  -3.761
  186   3HE   MET  21          3HE       MET  21   1.929  -8.219  -4.702
  187    H    LYS  22           HN       LYS  22   5.296  -7.287  -3.640
  188    HA   LYS  22           HA       LYS  22   7.936  -6.338  -4.402
  189   1HB   LYS  22          2HB       LYS  22   7.742  -8.507  -3.289
  190   2HB   LYS  22          3HB       LYS  22   6.736  -9.102  -4.605
  191   1HG   LYS  22          2HG       LYS  22   8.569  -8.918  -6.155
  192   2HG   LYS  22          3HG       LYS  22   9.581  -8.167  -4.922
  193   1HD   LYS  22          2HD       LYS  22   9.461 -10.231  -3.591
  194   2HD   LYS  22          3HD       LYS  22   8.485 -10.978  -4.858
  195   1HE   LYS  22          2HE       LYS  22  10.307 -10.756  -6.437
  196   2HE   LYS  22          3HE       LYS  22  11.280  -9.908  -5.237
  197   1HZ   LYS  22          1HZ       LYS  22  12.094 -12.012  -5.046
  198   2HZ   LYS  22          2HZ       LYS  22  10.616 -12.761  -5.417
  199   3HZ   LYS  22          3HZ       LYS  22  10.863 -12.083  -3.879
  200    H    GLY  23           HN       GLY  23   8.510  -5.733  -6.342
  201   1HA   GLY  23          1HA       GLY  23   6.646  -6.146  -8.567
  202   2HA   GLY  23          2HA       GLY  23   7.958  -4.975  -8.524
  203    H    SER  24           HN       SER  24   7.430  -8.501  -8.430
  204    HA   SER  24           HA       SER  24  10.056  -8.994  -9.499
  205   1HB   SER  24          2HB       SER  24   9.342 -11.373  -9.561
  206   2HB   SER  24          3HB       SER  24   9.097 -10.631  -7.983
  207    HG   SER  24           HG       SER  24   6.883 -10.246  -9.374
  208    HA   PRO  25           HA       PRO  25   9.377  -8.455 -13.797
  209   1HB   PRO  25          2HB       PRO  25  10.578 -10.837 -14.708
  210   2HB   PRO  25          3HB       PRO  25  11.368  -9.273 -14.497
  211   1HG   PRO  25          2HG       PRO  25  11.329 -11.639 -12.690
  212   2HG   PRO  25          3HG       PRO  25  12.617 -10.450 -12.965
  213   1HD   PRO  25          2HD       PRO  25  11.136 -10.401 -10.735
  214   2HD   PRO  25          3HD       PRO  25  11.656  -8.896 -11.525
  215    H    LYS  26           HN       LYS  26   8.815 -11.741 -12.600
  216    HA   LYS  26           HA       LYS  26   7.020 -12.511 -14.652
  217   1HB   LYS  26          2HB       LYS  26   6.463 -14.401 -13.174
  218   2HB   LYS  26          3HB       LYS  26   8.197 -14.185 -13.360
  219   1HG   LYS  26          2HG       LYS  26   8.320 -13.117 -11.184
  220   2HG   LYS  26          3HG       LYS  26   6.571 -13.262 -10.999
  221   1HD   LYS  26          2HD       LYS  26   7.723 -15.024  -9.771
  222   2HD   LYS  26          3HD       LYS  26   6.766 -15.700 -11.089
  223   1HE   LYS  26          2HE       LYS  26   8.801 -15.838 -12.467
  224   2HE   LYS  26          3HE       LYS  26   9.742 -15.211 -11.114
  225   1HZ   LYS  26          1HZ       LYS  26  10.015 -17.487 -10.958
  226   2HZ   LYS  26          2HZ       LYS  26   8.407 -17.828 -11.380
  227   3HZ   LYS  26          3HZ       LYS  26   8.768 -17.197  -9.846
  228    H    LEU  27           HN       LEU  27   6.584 -10.792 -11.642
  229    HA   LEU  27           HA       LEU  27   3.776 -10.296 -12.236
  230   1HB   LEU  27          2HB       LEU  27   4.166 -12.571 -10.983
  231   2HB   LEU  27          3HB       LEU  27   4.503 -11.546  -9.601
  232    HG   LEU  27           HG       LEU  27   1.886 -11.687 -11.115
  233   1HD1  LEU  27          1HD1      LEU  27   1.152 -12.520  -8.786
  234   2HD1  LEU  27          2HD1      LEU  27   1.973 -13.635  -9.878
  235   3HD1  LEU  27          3HD1      LEU  27   2.863 -12.880  -8.556
  236   1HD2  LEU  27          1HD2      LEU  27   1.244  -9.815 -10.130
  237   2HD2  LEU  27          2HD2      LEU  27   1.693 -10.453  -8.548
  238   3HD2  LEU  27          3HD2      LEU  27   2.887  -9.600  -9.526
  239    HA   PRO  28           HA       PRO  28   5.566  -6.598 -10.372
  240   1HB   PRO  28          2HB       PRO  28   3.277  -5.110 -10.507
  241   2HB   PRO  28          3HB       PRO  28   4.422  -5.293 -11.836
  242   1HG   PRO  28          2HG       PRO  28   1.814  -6.645 -11.345
  243   2HG   PRO  28          3HG       PRO  28   2.531  -6.106 -12.874
  244   1HD   PRO  28          2HD       PRO  28   2.515  -8.679 -12.097
  245   2HD   PRO  28          3HD       PRO  28   3.822  -7.987 -13.073
  246    H    SER  29           HN       SER  29   3.849  -8.724  -8.763
  247    HA   SER  29           HA       SER  29   3.894  -7.242  -6.366
  248   1HB   SER  29          2HB       SER  29   1.421  -7.574  -5.923
  249   2HB   SER  29          3HB       SER  29   1.915  -6.275  -6.991
  250    HG   SER  29           HG       SER  29   0.563  -8.659  -7.548
  251    H    CYS  30           HN       CYS  30   5.339  -9.244  -6.528
  252    HA   CYS  30           HA       CYS  30   4.010 -11.714  -5.752
  253   1HB   CYS  30          2HB       CYS  30   6.096 -11.678  -7.128
  254   2HB   CYS  30          3HB       CYS  30   6.960 -11.013  -5.748
  255    HG   CYS  30           HG       CYS  30   5.416 -13.808  -4.887
  256    H    GLY  31           HN       GLY  31   6.322 -12.188  -3.785
  257   1HA   GLY  31          1HA       GLY  31   6.753 -12.009  -1.545
  258   2HA   GLY  31          2HA       GLY  31   6.132 -10.369  -1.642
  259    H    PHE  32           HN       PHE  32   5.175 -10.579   0.429
  260    HA   PHE  32           HA       PHE  32   3.255 -12.656   0.909
  261   1HB   PHE  32          2HB       PHE  32   4.213 -10.341   2.500
  262   2HB   PHE  32          3HB       PHE  32   2.659 -11.055   2.914
  263    HD1  PHE  32           1HD      PHE  32   2.500 -12.961   4.145
  264    HD2  PHE  32           2HD      PHE  32   6.246 -11.855   2.444
  265    HE1  PHE  32           1HE      PHE  32   3.625 -14.723   5.469
  266    HE2  PHE  32           2HE      PHE  32   7.373 -13.621   3.748
  267    HZ   PHE  32           HZ       PHE  32   6.058 -15.055   5.261
  268    H    SER  33           HN       SER  33   3.027  -9.296  -0.025
  269    HA   SER  33           HA       SER  33   0.395  -8.893   0.685
  270   1HB   SER  33          2HB       SER  33   1.938  -7.109   0.036
  271   2HB   SER  33          3HB       SER  33   1.852  -7.653  -1.635
  272    HG   SER  33           HG       SER  33   0.182  -6.405  -1.799
  273    H    ALA  34           HN       ALA  34   1.436 -11.086  -1.594
  274    HA   ALA  34           HA       ALA  34  -0.154 -10.978  -3.781
  275   1HB   ALA  34          1HB       ALA  34  -0.232 -13.669  -3.137
  276   2HB   ALA  34          2HB       ALA  34   1.022 -12.840  -4.059
  277   3HB   ALA  34          3HB       ALA  34   1.211 -13.067  -2.320
  278    H    GLN  35           HN       GLN  35  -1.221 -12.202  -0.584
  279    HA   GLN  35           HA       GLN  35  -3.847 -12.851  -1.594
  280   1HB   GLN  35          2HB       GLN  35  -3.200 -12.422   1.337
  281   2HB   GLN  35          3HB       GLN  35  -4.529 -13.331   0.646
  282   1HG   GLN  35          2HG       GLN  35  -3.094 -14.972   1.396
  283   2HG   GLN  35          3HG       GLN  35  -2.711 -14.868  -0.322
  284   1HE2  GLN  35          1HE2      GLN  35  -1.628 -12.181   1.328
  285   2HE2  GLN  35          2HE2      GLN  35   0.027 -12.619   1.523
  286    H    ALA  36           HN       ALA  36  -2.342 -10.191   0.084
  287    HA   ALA  36           HA       ALA  36  -4.628  -8.750   0.799
  288   1HB   ALA  36          1HB       ALA  36  -1.744  -8.347   0.780
  289   2HB   ALA  36          2HB       ALA  36  -2.664  -6.858   0.556
  290   3HB   ALA  36          3HB       ALA  36  -2.954  -7.869   1.972
  291    H    VAL  37           HN       VAL  37  -2.516  -8.480  -2.023
  292    HA   VAL  37           HA       VAL  37  -3.601  -6.186  -3.164
  293    HB   VAL  37           HB       VAL  37  -1.534  -7.248  -3.951
  294   1HG1  VAL  37          1HG1      VAL  37  -3.141  -9.254  -5.478
  295   2HG1  VAL  37          2HG1      VAL  37  -1.405  -9.220  -5.167
  296   3HG1  VAL  37          3HG1      VAL  37  -2.528  -9.598  -3.860
  297   1HG2  VAL  37          1HG2      VAL  37  -1.706  -6.527  -6.130
  298   2HG2  VAL  37          2HG2      VAL  37  -3.309  -7.240  -6.351
  299   3HG2  VAL  37          3HG2      VAL  37  -3.120  -5.759  -5.406
  300    H    GLN  38           HN       GLN  38  -4.670  -9.521  -3.318
  301    HA   GLN  38           HA       GLN  38  -6.702  -9.123  -5.260
  302   1HB   GLN  38          2HB       GLN  38  -6.763 -11.233  -3.106
  303   2HB   GLN  38          3HB       GLN  38  -7.450 -11.313  -4.720
  304   1HG   GLN  38          2HG       GLN  38  -4.526 -11.376  -3.998
  305   2HG   GLN  38          3HG       GLN  38  -5.506 -12.724  -4.565
  306   1HE2  GLN  38          1HE2      GLN  38  -6.646 -10.307  -6.379
  307   2HE2  GLN  38          2HE2      GLN  38  -5.552 -10.357  -7.710
  308    H    ALA  39           HN       ALA  39  -6.647  -9.184  -1.731
  309    HA   ALA  39           HA       ALA  39  -9.374  -8.805  -1.220
  310   1HB   ALA  39          1HB       ALA  39  -7.099  -9.082   0.302
  311   2HB   ALA  39          2HB       ALA  39  -7.614  -7.433   0.656
  312   3HB   ALA  39          3HB       ALA  39  -8.725  -8.777   0.919
  313    H    LEU  40           HN       LEU  40  -6.784  -6.409  -1.692
  314    HA   LEU  40           HA       LEU  40  -8.250  -4.128  -1.024
  315   1HB   LEU  40          2HB       LEU  40  -5.706  -4.597  -1.793
  316   2HB   LEU  40          3HB       LEU  40  -6.341  -3.915  -3.265
  317    HG   LEU  40           HG       LEU  40  -6.244  -2.567  -0.568
  318   1HD1  LEU  40          1HD1      LEU  40  -4.421  -1.468  -1.251
  319   2HD1  LEU  40          2HD1      LEU  40  -4.254  -2.808  -2.389
  320   3HD1  LEU  40          3HD1      LEU  40  -5.011  -1.300  -2.908
  321   1HD2  LEU  40          1HD2      LEU  40  -6.919  -0.675  -2.487
  322   2HD2  LEU  40          2HD2      LEU  40  -7.969  -2.052  -2.822
  323   3HD2  LEU  40          3HD2      LEU  40  -7.957  -1.319  -1.216
  324    H    ALA  41           HN       ALA  41  -7.483  -5.366  -4.255
  325    HA   ALA  41           HA       ALA  41  -9.111  -3.618  -5.710
  326   1HB   ALA  41          1HB       ALA  41  -7.883  -4.603  -7.286
  327   2HB   ALA  41          2HB       ALA  41  -7.521  -5.974  -6.238
  328   3HB   ALA  41          3HB       ALA  41  -9.001  -5.964  -7.199
  329    H    ALA  42           HN       ALA  42  -9.758  -6.614  -4.080
  330    HA   ALA  42           HA       ALA  42 -12.295  -7.109  -5.296
  331   1HB   ALA  42          1HB       ALA  42 -10.701  -8.633  -3.801
  332   2HB   ALA  42          2HB       ALA  42 -11.824  -8.100  -2.552
  333   3HB   ALA  42          3HB       ALA  42 -12.428  -8.943  -3.977
  334    H    CYS  43           HN       CYS  43 -11.352  -5.656  -2.191
  335    HA   CYS  43           HA       CYS  43 -14.039  -5.202  -1.419
  336   1HB   CYS  43          2HB       CYS  43 -13.086  -4.027   0.487
  337   2HB   CYS  43          3HB       CYS  43 -12.281  -5.550   0.202
  338    HG   CYS  43           HG       CYS  43 -10.265  -3.921  -1.368
  339    H    GLY  44           HN       GLY  44 -11.476  -2.919  -2.394
  340   1HA   GLY  44          1HA       GLY  44 -13.537  -0.866  -2.867
  341   2HA   GLY  44          2HA       GLY  44 -11.818  -0.565  -2.654
  342    H    GLU  45           HN       GLU  45 -11.105   0.302  -4.421
  343    HA   GLU  45           HA       GLU  45 -11.431  -1.105  -6.943
  344   1HB   GLU  45          2HB       GLU  45 -11.935   1.860  -6.641
  345   2HB   GLU  45          3HB       GLU  45 -11.759   1.025  -8.176
  346   1HG   GLU  45          2HG       GLU  45 -13.732  -0.380  -7.512
  347   2HG   GLU  45          3HG       GLU  45 -13.960   0.729  -6.159
  348    H    ARG  46           HN       ARG  46 -10.210   1.226  -8.272
  349    HA   ARG  46           HA       ARG  46  -7.691   0.333  -8.542
  350   1HB   ARG  46          2HB       ARG  46  -8.694   3.156  -8.879
  351   2HB   ARG  46          3HB       ARG  46  -7.118   2.611  -9.436
  352   1HG   ARG  46          2HG       ARG  46  -9.747   1.463 -10.333
  353   2HG   ARG  46          3HG       ARG  46  -8.809   2.671 -11.206
  354   1HD   ARG  46          2HD       ARG  46  -6.923   1.098 -11.320
  355   2HD   ARG  46          3HD       ARG  46  -7.904  -0.112 -10.497
  356    HE   ARG  46           HE       ARG  46  -9.304   0.748 -12.758
  357   1HH1  ARG  46          2HH1      ARG  46  -6.374  -1.003 -11.962
  358   2HH1  ARG  46          1HH1      ARG  46  -6.388  -1.940 -13.430
  359   1HH2  ARG  46          2HH2      ARG  46  -9.334  -0.455 -14.666
  360   2HH2  ARG  46          1HH2      ARG  46  -8.085  -1.631 -14.975
  361    H    PHE  47           HN       PHE  47  -5.705   0.820  -7.944
  362    HA   PHE  47           HA       PHE  47  -5.148   2.622  -5.771
  363   1HB   PHE  47          2HB       PHE  47  -4.416   0.923  -4.216
  364   2HB   PHE  47          3HB       PHE  47  -6.086   0.609  -4.654
  365    HD1  PHE  47           1HD      PHE  47  -2.590  -0.455  -5.371
  366    HD2  PHE  47           2HD      PHE  47  -6.738  -1.445  -5.491
  367    HE1  PHE  47           1HE      PHE  47  -2.018  -2.791  -5.901
  368    HE2  PHE  47           2HE      PHE  47  -6.162  -3.789  -6.007
  369    HZ   PHE  47           HZ       PHE  47  -3.805  -4.453  -6.228
  370    H    ALA  48           HN       ALA  48  -2.897   2.837  -5.428
  371    HA   ALA  48           HA       ALA  48  -1.314   1.926  -7.708
  372   1HB   ALA  48          1HB       ALA  48  -0.535   4.041  -5.713
  373   2HB   ALA  48          2HB       ALA  48   0.213   3.696  -7.274
  374   3HB   ALA  48          3HB       ALA  48  -1.411   4.385  -7.206
  375    H    TYR  49           HN       TYR  49   0.784   1.063  -7.366
  376    HA   TYR  49           HA       TYR  49   1.173  -0.040  -4.660
  377   1HB   TYR  49          2HB       TYR  49   1.384  -2.229  -5.452
  378   2HB   TYR  49          3HB       TYR  49   0.169  -1.621  -6.571
  379    HD1  TYR  49           1HD      TYR  49   0.628  -1.527  -8.900
  380    HD2  TYR  49           2HD      TYR  49   3.721  -2.345  -6.112
  381    HE1  TYR  49           1HE      TYR  49   2.126  -2.146 -10.760
  382    HE2  TYR  49           2HE      TYR  49   5.246  -2.929  -7.945
  383    HH   TYR  49           HH       TYR  49   5.495  -3.164 -10.148
  384    H    VAL  50           HN       VAL  50   3.366  -0.370  -4.125
  385    HA   VAL  50           HA       VAL  50   5.330   0.676  -6.057
  386    HB   VAL  50           HB       VAL  50   5.486   0.998  -3.048
  387   1HG1  VAL  50          1HG1      VAL  50   7.676   0.915  -3.890
  388   2HG1  VAL  50          2HG1      VAL  50   7.256   1.859  -5.319
  389   3HG1  VAL  50          3HG1      VAL  50   7.320   2.635  -3.736
  390   1HG2  VAL  50          1HG2      VAL  50   3.796   2.475  -3.688
  391   2HG2  VAL  50          2HG2      VAL  50   5.251   3.474  -3.668
  392   3HG2  VAL  50          3HG2      VAL  50   4.599   2.894  -5.200
  393    H    ASP  51           HN       ASP  51   6.983  -0.668  -6.447
  394    HA   ASP  51           HA       ASP  51   7.058  -3.171  -5.002
  395   1HB   ASP  51          2HB       ASP  51   8.784  -3.844  -6.621
  396   2HB   ASP  51          3HB       ASP  51   7.312  -3.291  -7.404
  397    H    ILE  52           HN       ILE  52   8.395  -3.715  -3.494
  398    HA   ILE  52           HA       ILE  52  10.688  -2.047  -2.823
  399    HB   ILE  52           HB       ILE  52   9.681  -2.228  -0.357
  400   1HG1  ILE  52          2HG1      ILE  52   7.262  -1.485  -0.554
  401   2HG1  ILE  52          3HG1      ILE  52   7.330  -2.060  -2.217
  402   1HG2  ILE  52          1HG2      ILE  52   9.942  -0.050  -0.494
  403   2HG2  ILE  52          2HG2      ILE  52  10.159  -0.234  -2.237
  404   3HG2  ILE  52          3HG2      ILE  52   8.557   0.105  -1.579
  405   1HD1  ILE  52          1HD1      ILE  52   8.287  -4.079  -0.439
  406   2HD1  ILE  52          2HD1      ILE  52   6.695  -3.507   0.070
  407   3HD1  ILE  52          3HD1      ILE  52   6.933  -4.122  -1.569
  408    H    LEU  53           HN       LEU  53   8.962  -5.054  -2.473
  409    HA   LEU  53           HA       LEU  53  11.051  -6.332  -0.946
  410   1HB   LEU  53          2HB       LEU  53   9.026  -7.575  -2.820
  411   2HB   LEU  53          3HB       LEU  53  10.170  -8.474  -1.849
  412    HG   LEU  53           HG       LEU  53   8.255  -8.704  -0.625
  413   1HD1  LEU  53          1HD1      LEU  53   9.606  -6.252   0.422
  414   2HD1  LEU  53          2HD1      LEU  53   8.326  -7.096   1.293
  415   3HD1  LEU  53          3HD1      LEU  53   9.835  -7.930   0.914
  416   1HD2  LEU  53          1HD2      LEU  53   6.844  -7.271  -2.021
  417   2HD2  LEU  53          2HD2      LEU  53   6.532  -7.047  -0.296
  418   3HD2  LEU  53          3HD2      LEU  53   7.482  -5.855  -1.182
  419    H    GLN  54           HN       GLN  54  10.679  -5.022  -3.997
  420    HA   GLN  54           HA       GLN  54  12.709  -6.692  -5.245
  421   1HB   GLN  54          2HB       GLN  54  10.643  -6.225  -6.501
  422   2HB   GLN  54          3HB       GLN  54  10.963  -4.500  -6.394
  423   1HG   GLN  54          2HG       GLN  54  12.932  -6.326  -7.710
  424   2HG   GLN  54          3HG       GLN  54  11.502  -5.772  -8.574
  425   1HE2  GLN  54          1HE2      GLN  54  11.864  -3.217  -6.821
  426   2HE2  GLN  54          2HE2      GLN  54  13.042  -2.315  -7.701
  427    H    ASN  55           HN       ASN  55  12.160  -3.227  -4.433
  428    HA   ASN  55           HA       ASN  55  14.859  -2.518  -5.191
  429   1HB   ASN  55          2HB       ASN  55  12.759  -0.957  -3.671
  430   2HB   ASN  55          3HB       ASN  55  14.344  -0.325  -4.098
  431   1HD2  ASN  55          1HD2      ASN  55  11.249  -0.196  -4.936
  432   2HD2  ASN  55          2HD2      ASN  55  11.383   0.077  -6.636
  433    HA   PRO  56           HA       PRO  56  16.550  -3.980  -1.350
  434   1HB   PRO  56          2HB       PRO  56  19.003  -2.651  -2.264
  435   2HB   PRO  56          3HB       PRO  56  18.718  -4.355  -1.900
  436   1HG   PRO  56          2HG       PRO  56  19.037  -3.507  -4.422
  437   2HG   PRO  56          3HG       PRO  56  17.899  -4.809  -4.019
  438   1HD   PRO  56          2HD       PRO  56  17.348  -1.909  -4.504
  439   2HD   PRO  56          3HD       PRO  56  16.483  -3.322  -5.137
  440    H    ASP  57           HN       ASP  57  17.318  -0.724  -2.518
  441    HA   ASP  57           HA       ASP  57  18.123   0.254   0.012
  442   1HB   ASP  57          2HB       ASP  57  17.263   1.757  -2.469
  443   2HB   ASP  57          3HB       ASP  57  18.014   2.499  -1.061
  444    H    ILE  58           HN       ILE  58  15.144   0.790  -1.841
  445    HA   ILE  58           HA       ILE  58  13.848   2.393   0.083
  446    HB   ILE  58           HB       ILE  58  12.483   0.615  -1.945
  447   1HG1  ILE  58          2HG1      ILE  58  13.563   3.429  -2.267
  448   2HG1  ILE  58          3HG1      ILE  58  14.226   1.987  -3.030
  449   1HG2  ILE  58          1HG2      ILE  58  10.755   2.373  -1.862
  450   2HG2  ILE  58          2HG2      ILE  58  10.995   1.599  -0.294
  451   3HG2  ILE  58          3HG2      ILE  58  11.678   3.197  -0.605
  452   1HD1  ILE  58          1HD1      ILE  58  12.733   2.055  -4.678
  453   2HD1  ILE  58          2HD1      ILE  58  11.392   2.369  -3.575
  454   3HD1  ILE  58          3HD1      ILE  58  12.404   3.701  -4.136
  455    H    ARG  59           HN       ARG  59  14.079  -1.037  -0.397
  456    HA   ARG  59           HA       ARG  59  12.108  -2.098   1.215
  457   1HB   ARG  59          2HB       ARG  59  13.554  -3.448  -0.192
  458   2HB   ARG  59          3HB       ARG  59  14.951  -3.030   0.784
  459   1HG   ARG  59          2HG       ARG  59  13.851  -4.200   2.703
  460   2HG   ARG  59          3HG       ARG  59  12.611  -4.746   1.570
  461   1HD   ARG  59          2HD       ARG  59  14.279  -5.878   0.233
  462   2HD   ARG  59          3HD       ARG  59  15.568  -5.259   1.259
  463    HE   ARG  59           HE       ARG  59  15.166  -6.956   2.720
  464   1HH1  ARG  59          2HH1      ARG  59  12.423  -6.720   0.567
  465   2HH1  ARG  59          1HH1      ARG  59  11.573  -8.050   1.286
  466   1HH2  ARG  59          2HH2      ARG  59  14.041  -8.666   3.718
  467   2HH2  ARG  59          1HH2      ARG  59  12.479  -9.135   3.109
  468    H    ALA  60           HN       ALA  60  15.195  -0.683   2.165
  469    HA   ALA  60           HA       ALA  60  14.937  -1.734   4.827
  470   1HB   ALA  60          1HB       ALA  60  17.159  -0.389   5.079
  471   2HB   ALA  60          2HB       ALA  60  17.108  -1.876   4.133
  472   3HB   ALA  60          3HB       ALA  60  17.071  -0.312   3.319
  473    H    GLU  61           HN       GLU  61  15.213   1.591   3.537
  474    HA   GLU  61           HA       GLU  61  15.201   2.725   6.122
  475   1HB   GLU  61          2HB       GLU  61  14.624   4.089   3.485
  476   2HB   GLU  61          3HB       GLU  61  15.114   4.878   4.979
  477   1HG   GLU  61          2HG       GLU  61  16.788   2.928   3.414
  478   2HG   GLU  61          3HG       GLU  61  16.970   4.682   3.409
  479    H    LEU  62           HN       LEU  62  12.834   2.982   3.560
  480    HA   LEU  62           HA       LEU  62  11.037   4.571   4.878
  481   1HB   LEU  62          2HB       LEU  62  10.555   4.729   2.767
  482   2HB   LEU  62          3HB       LEU  62  11.297   3.180   2.420
  483    HG   LEU  62           HG       LEU  62   9.171   2.042   2.966
  484   1HD1  LEU  62          1HD1      LEU  62   7.858   3.322   4.342
  485   2HD1  LEU  62          2HD1      LEU  62   8.270   4.827   3.515
  486   3HD1  LEU  62          3HD1      LEU  62   7.147   3.688   2.767
  487   1HD2  LEU  62          1HD2      LEU  62   9.405   2.271   0.754
  488   2HD2  LEU  62          2HD2      LEU  62   7.990   3.305   0.970
  489   3HD2  LEU  62          3HD2      LEU  62   9.597   4.021   0.858
  490    HA   PRO  63           HA       PRO  63   8.321   0.639   5.869
  491   1HB   PRO  63          2HB       PRO  63   9.884  -1.434   6.776
  492   2HB   PRO  63          3HB       PRO  63   9.195  -1.342   5.150
  493   1HG   PRO  63          2HG       PRO  63  11.937  -0.586   6.089
  494   2HG   PRO  63          3HG       PRO  63  11.462  -1.507   4.646
  495   1HD   PRO  63          2HD       PRO  63  12.107   1.057   4.436
  496   2HD   PRO  63          3HD       PRO  63  10.728   0.407   3.522
  497    H    LYS  64           HN       LYS  64  11.496   1.030   7.337
  498    HA   LYS  64           HA       LYS  64  10.820   0.571   9.994
  499   1HB   LYS  64          2HB       LYS  64  12.953   2.385   8.872
  500   2HB   LYS  64          3HB       LYS  64  12.845   1.875  10.553
  501   1HG   LYS  64          2HG       LYS  64  13.080  -0.464   9.842
  502   2HG   LYS  64          3HG       LYS  64  13.256   0.074   8.172
  503   1HD   LYS  64          2HD       LYS  64  15.077   0.754  10.479
  504   2HD   LYS  64          3HD       LYS  64  15.428  -0.380   9.175
  505   1HE   LYS  64          2HE       LYS  64  15.265   1.479   7.558
  506   2HE   LYS  64          3HE       LYS  64  14.991   2.594   8.895
  507   1HZ   LYS  64          1HZ       LYS  64  17.197   2.843   8.827
  508   2HZ   LYS  64          2HZ       LYS  64  17.451   1.406   7.959
  509   3HZ   LYS  64          3HZ       LYS  64  17.262   1.355   9.641
  510    H    TYR  65           HN       TYR  65  10.521   3.454   8.020
  511    HA   TYR  65           HA       TYR  65   9.934   5.182  10.178
  512   1HB   TYR  65          2HB       TYR  65   9.954   6.812   8.641
  513   2HB   TYR  65          3HB       TYR  65  10.483   5.579   7.522
  514    HD1  TYR  65           1HD      TYR  65   9.543   5.861   5.424
  515    HD2  TYR  65           2HD      TYR  65   7.126   6.672   8.846
  516    HE1  TYR  65           1HE      TYR  65   7.663   6.479   3.964
  517    HE2  TYR  65           2HE      TYR  65   5.249   7.264   7.380
  518    HH   TYR  65           HH       TYR  65   4.555   7.577   5.310
  519    H    ALA  66           HN       ALA  66   7.849   3.232   7.994
  520    HA   ALA  66           HA       ALA  66   5.462   4.354   9.093
  521   1HB   ALA  66          1HB       ALA  66   4.449   3.206   7.478
  522   2HB   ALA  66          2HB       ALA  66   6.082   2.857   6.912
  523   3HB   ALA  66          3HB       ALA  66   5.235   1.692   7.929
  524    H    ASN  67           HN       ASN  67   6.839   1.057   9.448
  525    HA   ASN  67           HA       ASN  67   6.597   0.999  12.220
  526   1HB   ASN  67          2HB       ASN  67   4.132   0.940  11.700
  527   2HB   ASN  67          3HB       ASN  67   4.391  -0.599  10.891
  528   1HD2  ASN  67          1HD2      ASN  67   3.325   0.754  13.614
  529   2HD2  ASN  67          2HD2      ASN  67   3.635  -0.524  14.747
  530    H    TRP  68           HN       TRP  68   5.977  -1.110   9.507
  531    HA   TRP  68           HA       TRP  68   7.138  -3.459  10.371
  532   1HB   TRP  68          2HB       TRP  68   6.520  -2.318   7.669
  533   2HB   TRP  68          3HB       TRP  68   7.389  -3.844   7.793
  534    HD1  TRP  68           1HD      TRP  68   5.879  -5.810   7.513
  535    HE1  TRP  68           1HE      TRP  68   3.434  -6.395   8.034
  536    HE3  TRP  68           3HE      TRP  68   4.416  -1.407   9.675
  537    HZ2  TRP  68           2HZ      TRP  68   1.185  -5.173   9.203
  538    HZ3  TRP  68           3HZ      TRP  68   2.095  -1.204  10.463
  539    HH2  TRP  68           2HH      TRP  68   0.513  -3.046  10.232
  540    HA   PRO  69           HA       PRO  69  11.578  -3.020   9.839
  541   1HB   PRO  69          2HB       PRO  69  11.541  -5.816   8.933
  542   2HB   PRO  69          3HB       PRO  69  12.349  -5.111  10.337
  543   1HG   PRO  69          2HG       PRO  69  10.210  -6.719  10.595
  544   2HG   PRO  69          3HG       PRO  69  10.496  -5.356  11.692
  545   1HD   PRO  69          2HD       PRO  69   8.620  -5.553   9.363
  546   2HD   PRO  69          3HD       PRO  69   8.357  -4.825  10.963
  547    H    THR  70           HN       THR  70   9.556  -4.699   7.525
  548    HA   THR  70           HA       THR  70  10.723  -3.195   5.329
  549    HB   THR  70           HB       THR  70  10.829  -5.212   3.869
  550    HG1  THR  70           1HG      THR  70  10.900  -6.826   6.187
  551   1HG2  THR  70          1HG2      THR  70  12.946  -4.578   4.522
  552   2HG2  THR  70          2HG2      THR  70  12.887  -6.225   5.152
  553   3HG2  THR  70          3HG2      THR  70  12.616  -4.855   6.236
  554    H    PHE  71           HN       PHE  71   8.992  -5.626   3.950
  555    HA   PHE  71           HA       PHE  71   6.398  -4.319   4.398
  556   1HB   PHE  71          2HB       PHE  71   7.627  -4.830   1.678
  557   2HB   PHE  71          3HB       PHE  71   6.057  -4.103   1.977
  558    HD1  PHE  71           1HD      PHE  71   9.699  -3.597   2.245
  559    HD2  PHE  71           2HD      PHE  71   5.845  -1.801   2.512
  560    HE1  PHE  71           1HE      PHE  71  10.737  -1.379   2.275
  561    HE2  PHE  71           2HE      PHE  71   6.885   0.433   2.530
  562    HZ   PHE  71           HZ       PHE  71   9.329   0.639   2.391
  563    HA   PRO  72           HA       PRO  72   4.935  -4.900   1.687
  564   1HB   PRO  72          2HB       PRO  72   2.421  -5.851   1.607
  565   2HB   PRO  72          3HB       PRO  72   3.712  -6.500   0.592
  566   1HG   PRO  72          2HG       PRO  72   2.608  -7.561   3.165
  567   2HG   PRO  72          3HG       PRO  72   3.010  -8.438   1.676
  568   1HD   PRO  72          2HD       PRO  72   4.642  -8.380   3.835
  569   2HD   PRO  72          3HD       PRO  72   5.256  -8.501   2.173
  570    H    GLN  73           HN       GLN  73   3.213  -3.342   1.910
  571    HA   GLN  73           HA       GLN  73   1.733  -3.224   4.363
  572   1HB   GLN  73          2HB       GLN  73   2.606  -1.117   5.158
  573   2HB   GLN  73          3HB       GLN  73   3.877  -2.288   5.068
  574   1HG   GLN  73          2HG       GLN  73   4.680  -1.333   3.005
  575   2HG   GLN  73          3HG       GLN  73   3.418  -0.099   3.115
  576   1HE2  GLN  73          1HE2      GLN  73   4.506  -0.974   6.165
  577   2HE2  GLN  73          2HE2      GLN  73   5.626   0.313   6.421
  578    H    LEU  74           HN       LEU  74  -0.096  -2.195   4.077
  579    HA   LEU  74           HA       LEU  74  -0.663  -0.920   1.520
  580   1HB   LEU  74          2HB       LEU  74  -2.197  -2.608   2.363
  581   2HB   LEU  74          3HB       LEU  74  -2.478  -1.636   3.799
  582    HG   LEU  74           HG       LEU  74  -3.397   0.158   2.359
  583   1HD1  LEU  74          1HD1      LEU  74  -3.910  -0.270   0.057
  584   2HD1  LEU  74          2HD1      LEU  74  -2.178  -0.449   0.320
  585   3HD1  LEU  74          3HD1      LEU  74  -3.196  -1.879   0.165
  586   1HD2  LEU  74          1HD2      LEU  74  -5.012  -2.142   1.581
  587   2HD2  LEU  74          2HD2      LEU  74  -4.602  -2.046   3.293
  588   3HD2  LEU  74          3HD2      LEU  74  -5.440  -0.703   2.510
  589    H    TRP  75           HN       TRP  75  -1.287   1.177   1.279
  590    HA   TRP  75           HA       TRP  75  -1.412   2.850   3.694
  591   1HB   TRP  75          2HB       TRP  75  -0.022   3.532   1.112
  592   2HB   TRP  75          3HB       TRP  75  -0.306   4.661   2.425
  593    HD1  TRP  75           1HD      TRP  75   1.625   1.314   1.869
  594    HE1  TRP  75           1HE      TRP  75   3.686   1.358   3.430
  595    HE3  TRP  75           3HE      TRP  75   0.651   5.678   4.277
  596    HZ2  TRP  75           2HZ      TRP  75   4.743   3.099   5.431
  597    HZ3  TRP  75           3HZ      TRP  75   2.217   6.477   6.002
  598    HH2  TRP  75           2HH      TRP  75   4.217   5.203   6.565
  599    H    VAL  76           HN       VAL  76  -3.222   3.915   3.804
  600    HA   VAL  76           HA       VAL  76  -4.841   4.340   1.368
  601    HB   VAL  76           HB       VAL  76  -5.692   4.408   4.281
  602   1HG1  VAL  76          1HG1      VAL  76  -7.120   4.931   1.731
  603   2HG1  VAL  76          2HG1      VAL  76  -7.997   4.138   3.043
  604   3HG1  VAL  76          3HG1      VAL  76  -7.265   5.725   3.300
  605   1HG2  VAL  76          1HG2      VAL  76  -6.654   2.312   2.411
  606   2HG2  VAL  76          2HG2      VAL  76  -5.027   2.158   3.074
  607   3HG2  VAL  76          3HG2      VAL  76  -6.414   2.253   4.158
  608    H    ASP  77           HN       ASP  77  -4.671   6.390   0.592
  609    HA   ASP  77           HA       ASP  77  -4.343   8.660   0.484
  610   1HB   ASP  77          2HB       ASP  77  -6.389   8.581   1.882
  611   2HB   ASP  77          3HB       ASP  77  -5.351   8.535   3.298
  612    H    GLY  78           HN       GLY  78  -2.298   6.950   1.315
  613   1HA   GLY  78          1HA       GLY  78  -0.070   7.110   1.879
  614   2HA   GLY  78          2HA       GLY  78  -0.336   8.814   2.198
  615    H    GLU  79           HN       GLU  79  -2.190   6.316   3.784
  616    HA   GLU  79           HA       GLU  79  -0.634   6.755   6.224
  617   1HB   GLU  79          2HB       GLU  79  -3.644   6.645   6.039
  618   2HB   GLU  79          3HB       GLU  79  -2.723   6.731   7.537
  619   1HG   GLU  79          2HG       GLU  79  -1.799   8.889   6.832
  620   2HG   GLU  79          3HG       GLU  79  -2.757   8.810   5.359
  621    H    LEU  80           HN       LEU  80   0.004   5.008   7.230
  622    HA   LEU  80           HA       LEU  80  -0.175   2.559   5.930
  623   1HB   LEU  80          2HB       LEU  80   1.775   3.203   7.194
  624   2HB   LEU  80          3HB       LEU  80   0.851   3.233   8.689
  625    HG   LEU  80           HG       LEU  80   0.451   0.785   8.400
  626   1HD1  LEU  80          1HD1      LEU  80   2.397  -0.199   6.884
  627   2HD1  LEU  80          2HD1      LEU  80   0.782   0.137   6.260
  628   3HD1  LEU  80          3HD1      LEU  80   2.088   1.290   5.990
  629   1HD2  LEU  80          1HD2      LEU  80   3.322   1.678   8.601
  630   2HD2  LEU  80          2HD2      LEU  80   2.147   1.651   9.915
  631   3HD2  LEU  80          3HD2      LEU  80   2.674   0.139   9.172
  632    H    VAL  81           HN       VAL  81  -1.273   0.765   6.186
  633    HA   VAL  81           HA       VAL  81  -3.165   0.565   8.437
  634    HB   VAL  81           HB       VAL  81  -3.500  -0.544   5.639
  635   1HG1  VAL  81          1HG1      VAL  81  -5.086  -0.913   8.148
  636   2HG1  VAL  81          2HG1      VAL  81  -5.872  -0.995   6.570
  637   3HG1  VAL  81          3HG1      VAL  81  -4.567  -2.116   6.965
  638   1HG2  VAL  81          1HG2      VAL  81  -4.053   1.671   5.381
  639   2HG2  VAL  81          2HG2      VAL  81  -5.613   0.982   5.837
  640   3HG2  VAL  81          3HG2      VAL  81  -4.636   1.831   7.038
  641    H    GLY  82           HN       GLY  82  -1.367  -1.367   6.040
  642   1HA   GLY  82          1HA       GLY  82   0.277  -2.934   7.391
  643   2HA   GLY  82          2HA       GLY  82  -1.256  -3.655   7.868
  644    H    GLY  83           HN       GLY  83   1.091  -4.584   6.056
  645   1HA   GLY  83          1HA       GLY  83  -0.056  -4.408   3.453
  646   2HA   GLY  83          2HA       GLY  83   1.436  -5.222   3.866
  647    H    CYS  84           HN       CYS  84   1.003  -7.476   5.040
  648    HA   CYS  84           HA       CYS  84  -0.634  -8.861   3.126
  649   1HB   CYS  84          2HB       CYS  84   1.466  -9.860   3.648
  650   2HB   CYS  84          3HB       CYS  84   1.089  -9.922   5.368
  651    HG   CYS  84           HG       CYS  84  -1.122 -11.764   4.801
  652    H    ASP  85           HN       ASP  85  -0.533  -9.276   6.634
  653    HA   ASP  85           HA       ASP  85  -2.991 -10.646   6.707
  654   1HB   ASP  85          2HB       ASP  85  -1.190 -10.990   8.344
  655   2HB   ASP  85          3HB       ASP  85  -1.420  -9.355   8.951
  656    H    ILE  86           HN       ILE  86  -2.124  -7.370   7.695
  657    HA   ILE  86           HA       ILE  86  -4.546  -6.657   8.809
  658    HB   ILE  86           HB       ILE  86  -2.660  -4.807   7.345
  659   1HG1  ILE  86          2HG1      ILE  86  -1.507  -6.123   9.081
  660   2HG1  ILE  86          3HG1      ILE  86  -1.631  -4.427   9.536
  661   1HG2  ILE  86          1HG2      ILE  86  -4.539  -4.161   9.610
  662   2HG2  ILE  86          2HG2      ILE  86  -3.652  -3.042   8.574
  663   3HG2  ILE  86          3HG2      ILE  86  -4.987  -3.985   7.913
  664   1HD1  ILE  86          1HD1      ILE  86  -2.322  -6.609  11.075
  665   2HD1  ILE  86          2HD1      ILE  86  -2.739  -4.924  11.385
  666   3HD1  ILE  86          3HD1      ILE  86  -3.868  -5.966  10.521
  667    H    VAL  87           HN       VAL  87  -3.497  -6.328   5.417
  668    HA   VAL  87           HA       VAL  87  -5.790  -5.006   4.475
  669    HB   VAL  87           HB       VAL  87  -3.925  -6.879   3.012
  670   1HG1  VAL  87          1HG1      VAL  87  -6.442  -5.661   2.180
  671   2HG1  VAL  87          2HG1      VAL  87  -5.088  -5.233   1.135
  672   3HG1  VAL  87          3HG1      VAL  87  -5.491  -6.927   1.408
  673   1HG2  VAL  87          1HG2      VAL  87  -4.115  -3.926   2.633
  674   2HG2  VAL  87          2HG2      VAL  87  -3.205  -4.582   3.995
  675   3HG2  VAL  87          3HG2      VAL  87  -2.755  -5.011   2.345
  676    H    ILE  88           HN       ILE  88  -5.042  -8.505   4.600
  677    HA   ILE  88           HA       ILE  88  -7.467  -9.384   3.522
  678    HB   ILE  88           HB       ILE  88  -5.657 -10.743   5.513
  679   1HG1  ILE  88          2HG1      ILE  88  -4.658 -10.313   3.310
  680   2HG1  ILE  88          3HG1      ILE  88  -4.922 -12.038   3.559
  681   1HG2  ILE  88          1HG2      ILE  88  -7.835 -11.706   5.778
  682   2HG2  ILE  88          2HG2      ILE  88  -8.042 -11.833   4.029
  683   3HG2  ILE  88          3HG2      ILE  88  -6.840 -12.832   4.850
  684   1HD1  ILE  88          1HD1      ILE  88  -7.176 -11.542   2.303
  685   2HD1  ILE  88          2HD1      ILE  88  -6.267 -10.160   1.694
  686   3HD1  ILE  88          3HD1      ILE  88  -5.670 -11.795   1.420
  687    H    GLU  89           HN       GLU  89  -6.560  -8.902   6.955
  688    HA   GLU  89           HA       GLU  89  -9.055  -9.698   7.975
  689   1HB   GLU  89          2HB       GLU  89  -7.041  -9.423   9.383
  690   2HB   GLU  89          3HB       GLU  89  -7.156  -7.677   9.179
  691   1HG   GLU  89          2HG       GLU  89  -9.349  -7.696  10.270
  692   2HG   GLU  89          3HG       GLU  89  -9.219  -9.439  10.483
  693    H    MET  90           HN       MET  90  -7.837  -6.396   7.366
  694    HA   MET  90           HA       MET  90 -10.226  -5.061   7.972
  695   1HB   MET  90          2HB       MET  90  -7.924  -4.292   6.192
  696   2HB   MET  90          3HB       MET  90  -9.274  -3.214   6.525
  697   1HG   MET  90          2HG       MET  90  -7.412  -4.389   8.578
  698   2HG   MET  90          3HG       MET  90  -7.368  -2.738   7.959
  699   1HE   MET  90          1HE       MET  90  -7.094  -2.487  10.395
  700   2HE   MET  90          2HE       MET  90  -8.428  -1.659  11.198
  701   3HE   MET  90          3HE       MET  90  -8.110  -3.359  11.544
  702    H    TYR  91           HN       TYR  91  -9.163  -6.595   5.015
  703    HA   TYR  91           HA       TYR  91 -11.181  -5.678   3.274
  704   1HB   TYR  91          2HB       TYR  91  -9.481  -6.798   2.196
  705   2HB   TYR  91          3HB       TYR  91  -9.353  -8.027   3.443
  706    HD1  TYR  91           1HD      TYR  91 -11.731  -6.917   0.748
  707    HD2  TYR  91           2HD      TYR  91 -10.068 -10.110   3.002
  708    HE1  TYR  91           1HE      TYR  91 -12.944  -8.532  -0.652
  709    HE2  TYR  91           2HE      TYR  91 -11.260 -11.729   1.620
  710    HH   TYR  91           HH       TYR  91 -12.656 -11.008  -1.308
  711    H    GLN  92           HN       GLN  92 -10.992  -8.555   5.335
  712    HA   GLN  92           HA       GLN  92 -13.606  -9.492   4.812
  713   1HB   GLN  92          2HB       GLN  92 -11.914  -9.892   7.291
  714   2HB   GLN  92          3HB       GLN  92 -13.317 -10.852   6.840
  715   1HG   GLN  92          2HG       GLN  92 -12.150 -11.633   4.844
  716   2HG   GLN  92          3HG       GLN  92 -10.748 -10.654   5.280
  717   1HE2  GLN  92          1HE2      GLN  92 -11.890 -13.681   5.289
  718   2HE2  GLN  92          2HE2      GLN  92 -11.024 -14.338   6.628
  719    H    ARG  93           HN       ARG  93 -12.248  -7.346   7.235
  720    HA   ARG  93           HA       ARG  93 -14.479  -6.908   8.870
  721   1HB   ARG  93          2HB       ARG  93 -12.243  -5.011   8.133
  722   2HB   ARG  93          3HB       ARG  93 -13.347  -4.797   9.478
  723   1HG   ARG  93          2HG       ARG  93 -11.473  -7.120   9.175
  724   2HG   ARG  93          3HG       ARG  93 -11.133  -5.673  10.126
  725   1HD   ARG  93          2HD       ARG  93 -13.478  -7.510  10.572
  726   2HD   ARG  93          3HD       ARG  93 -11.972  -7.564  11.487
  727    HE   ARG  93           HE       ARG  93 -12.890  -4.946  11.629
  728   1HH1  ARG  93          2HH1      ARG  93 -14.145  -8.089  12.530
  729   2HH1  ARG  93          1HH1      ARG  93 -14.885  -7.514  13.995
  730   1HH2  ARG  93          2HH2      ARG  93 -13.836  -4.192  13.539
  731   2HH2  ARG  93          1HH2      ARG  93 -14.678  -5.289  14.592
  732    H    GLY  94           HN       GLY  94 -13.559  -5.498   5.794
  733   1HA   GLY  94          1HA       GLY  94 -15.013  -4.331   4.315
  734   2HA   GLY  94          2HA       GLY  94 -16.127  -4.082   5.654
  735    H    GLU  95           HN       GLU  95 -13.786  -3.335   7.371
  736    HA   GLU  95           HA       GLU  95 -13.990  -0.554   7.233
  737   1HB   GLU  95          2HB       GLU  95 -11.718  -2.176   8.413
  738   2HB   GLU  95          3HB       GLU  95 -12.144  -0.521   8.827
  739   1HG   GLU  95          2HG       GLU  95 -14.284  -1.295   9.718
  740   2HG   GLU  95          3HG       GLU  95 -13.858  -2.954   9.298
  741    H    LEU  96           HN       LEU  96 -11.590  -2.715   5.750
  742    HA   LEU  96           HA       LEU  96  -9.687  -0.772   5.070
  743   1HB   LEU  96          2HB       LEU  96  -9.420  -3.269   4.977
  744   2HB   LEU  96          3HB       LEU  96 -10.363  -3.261   3.506
  745    HG   LEU  96           HG       LEU  96  -7.723  -1.816   3.795
  746   1HD1  LEU  96          1HD1      LEU  96  -7.897  -4.445   3.998
  747   2HD1  LEU  96          2HD1      LEU  96  -8.019  -4.321   2.243
  748   3HD1  LEU  96          3HD1      LEU  96  -6.611  -3.663   3.076
  749   1HD2  LEU  96          1HD2      LEU  96  -7.949  -2.352   1.196
  750   2HD2  LEU  96          2HD2      LEU  96  -9.662  -2.225   1.593
  751   3HD2  LEU  96          3HD2      LEU  96  -8.579  -0.871   1.913
  752    H    GLN  97           HN       GLN  97 -12.240  -2.179   3.103
  753    HA   GLN  97           HA       GLN  97 -11.965  -0.383   0.933
  754   1HB   GLN  97          2HB       GLN  97 -14.253  -1.198   0.290
  755   2HB   GLN  97          3HB       GLN  97 -13.038  -2.453   0.477
  756   1HG   GLN  97          2HG       GLN  97 -13.934  -2.967   2.697
  757   2HG   GLN  97          3HG       GLN  97 -15.158  -1.718   2.485
  758   1HE2  GLN  97          1HE2      GLN  97 -14.586  -4.942   2.291
  759   2HE2  GLN  97          2HE2      GLN  97 -15.841  -5.399   1.185
  760    H    GLN  98           HN       GLN  98 -13.633  -0.249   3.948
  761    HA   GLN  98           HA       GLN  98 -15.437   1.812   3.416
  762   1HB   GLN  98          2HB       GLN  98 -15.766   0.406   5.283
  763   2HB   GLN  98          3HB       GLN  98 -14.119   0.621   5.843
  764   1HG   GLN  98          2HG       GLN  98 -15.585   1.776   7.280
  765   2HG   GLN  98          3HG       GLN  98 -14.615   2.900   6.351
  766   1HE2  GLN  98          1HE2      GLN  98 -16.963   1.594   4.384
  767   2HE2  GLN  98          2HE2      GLN  98 -18.165   2.831   4.514
  768    H    LEU  99           HN       LEU  99 -12.146   1.671   4.642
  769    HA   LEU  99           HA       LEU  99 -11.776   4.498   4.914
  770   1HB   LEU  99          2HB       LEU  99  -9.647   2.407   4.451
  771   2HB   LEU  99          3HB       LEU  99  -9.440   3.985   5.186
  772    HG   LEU  99           HG       LEU  99 -10.929   1.641   6.371
  773   1HD1  LEU  99          1HD1      LEU  99  -8.238   2.026   6.263
  774   2HD1  LEU  99          2HD1      LEU  99  -8.646   2.821   7.783
  775   3HD1  LEU  99          3HD1      LEU  99  -9.080   1.131   7.528
  776   1HD2  LEU  99          1HD2      LEU  99 -12.066   3.520   7.179
  777   2HD2  LEU  99          2HD2      LEU  99 -10.869   3.180   8.429
  778   3HD2  LEU  99          3HD2      LEU  99 -10.594   4.487   7.279
  779    H    ILE 100           HN       ILE 100 -10.902   2.072   2.483
  780    HA   ILE 100           HA       ILE 100  -9.565   3.755   0.704
  781    HB   ILE 100           HB       ILE 100 -11.220   1.306   0.062
  782   1HG1  ILE 100          2HG1      ILE 100  -9.337   0.863   1.584
  783   2HG1  ILE 100          3HG1      ILE 100  -9.081   0.121   0.010
  784   1HG2  ILE 100          1HG2      ILE 100 -10.001   3.214  -1.687
  785   2HG2  ILE 100          2HG2      ILE 100  -9.174   1.662  -1.842
  786   3HG2  ILE 100          3HG2      ILE 100 -10.919   1.761  -2.088
  787   1HD1  ILE 100          1HD1      ILE 100  -7.698   2.206  -0.528
  788   2HD1  ILE 100          2HD1      ILE 100  -7.719   2.492   1.213
  789   3HD1  ILE 100          3HD1      ILE 100  -7.013   1.007   0.573
  790    H    LYS 101           HN       LYS 101 -13.007   2.869   0.811
  791    HA   LYS 101           HA       LYS 101 -13.842   4.165  -1.470
  792   1HB   LYS 101          2HB       LYS 101 -15.271   2.675  -0.190
  793   2HB   LYS 101          3HB       LYS 101 -15.312   3.823   1.144
  794   1HG   LYS 101          2HG       LYS 101 -16.400   5.448  -0.316
  795   2HG   LYS 101          3HG       LYS 101 -16.405   4.263  -1.608
  796   1HD   LYS 101          2HD       LYS 101 -18.574   4.251  -0.578
  797   2HD   LYS 101          3HD       LYS 101 -17.746   2.756  -0.142
  798   1HE   LYS 101          2HE       LYS 101 -18.836   3.619   1.812
  799   2HE   LYS 101          3HE       LYS 101 -17.096   3.813   2.012
  800   1HZ   LYS 101          1HZ       LYS 101 -17.840   6.156   0.871
  801   2HZ   LYS 101          2HZ       LYS 101 -17.608   5.916   2.534
  802   3HZ   LYS 101          3HZ       LYS 101 -19.166   5.809   1.874
  803    H    GLU 102           HN       GLU 102 -13.762   5.454   1.833
  804    HA   GLU 102           HA       GLU 102 -14.755   7.993   1.204
  805   1HB   GLU 102          2HB       GLU 102 -14.634   7.149   3.496
  806   2HB   GLU 102          3HB       GLU 102 -12.878   7.176   3.429
  807   1HG   GLU 102          2HG       GLU 102 -12.890   9.581   3.225
  808   2HG   GLU 102          3HG       GLU 102 -14.652   9.589   3.193
  809    H    THR 103           HN       THR 103 -11.409   6.865   1.508
  810    HA   THR 103           HA       THR 103 -10.163   9.308   0.821
  811    HB   THR 103           HB       THR 103  -9.166   6.479   0.547
  812    HG1  THR 103           1HG      THR 103  -9.650   7.981   2.696
  813   1HG2  THR 103          1HG2      THR 103  -6.943   7.428   0.511
  814   2HG2  THR 103          2HG2      THR 103  -7.620   9.057   0.604
  815   3HG2  THR 103          3HG2      THR 103  -7.902   8.064  -0.826
  816    H    ALA 104           HN       ALA 104 -10.756   6.396  -1.074
  817    HA   ALA 104           HA       ALA 104  -9.632   7.327  -3.430
  818   1HB   ALA 104          1HB       ALA 104 -11.549   5.135  -2.788
  819   2HB   ALA 104          2HB       ALA 104 -11.116   5.492  -4.460
  820   3HB   ALA 104          3HB       ALA 104  -9.865   5.041  -3.302
  821    H    ALA 105           HN       ALA 105 -13.040   7.391  -2.373
  822    HA   ALA 105           HA       ALA 105 -14.171   8.239  -4.753
  823   1HB   ALA 105          1HB       ALA 105 -15.162   9.295  -2.130
  824   2HB   ALA 105          2HB       ALA 105 -16.078   8.817  -3.560
  825   3HB   ALA 105          3HB       ALA 105 -15.316   7.588  -2.551
  826    H    LYS 106           HN       LYS 106 -12.767  10.243  -2.169
  827    HA   LYS 106           HA       LYS 106 -13.369  12.664  -3.523
  828   1HB   LYS 106          2HB       LYS 106 -11.953  13.784  -1.880
  829   2HB   LYS 106          3HB       LYS 106 -13.105  12.701  -1.127
  830   1HG   LYS 106          2HG       LYS 106 -11.180  12.343   0.094
  831   2HG   LYS 106          3HG       LYS 106 -11.161  11.026  -1.069
  832   1HD   LYS 106          2HD       LYS 106  -8.952  12.084  -0.778
  833   2HD   LYS 106          3HD       LYS 106  -9.540  12.185  -2.435
  834   1HE   LYS 106          2HE       LYS 106  -8.542  14.292  -1.751
  835   2HE   LYS 106          3HE       LYS 106 -10.271  14.490  -2.023
  836   1HZ   LYS 106          1HZ       LYS 106  -9.826  13.825   0.678
  837   2HZ   LYS 106          2HZ       LYS 106 -10.499  15.238   0.033
  838   3HZ   LYS 106          3HZ       LYS 106  -8.821  15.127   0.263
  839    H    TYR 107           HN       TYR 107 -10.729  10.417  -3.714
  840    HA   TYR 107           HA       TYR 107  -9.086  12.274  -5.184
  841   1HB   TYR 107          2HB       TYR 107  -8.759   9.370  -4.496
  842   2HB   TYR 107          3HB       TYR 107  -7.680  10.172  -5.634
  843    HD1  TYR 107           1HD      TYR 107  -6.806  12.528  -4.716
  844    HD2  TYR 107           2HD      TYR 107  -8.010   9.252  -2.267
  845    HE1  TYR 107           1HE      TYR 107  -5.414  13.376  -2.889
  846    HE2  TYR 107           2HE      TYR 107  -6.643  10.092  -0.451
  847    HH   TYR 107           HH       TYR 107  -5.075  11.605   0.170
  848    H    LYS 108           HN       LYS 108 -11.057   9.426  -6.021
  849    HA   LYS 108           HA       LYS 108 -10.746   9.942  -8.858
  850   1HB   LYS 108          2HB       LYS 108 -12.259   7.924  -7.283
  851   2HB   LYS 108          3HB       LYS 108 -12.802   8.283  -8.904
  852   1HG   LYS 108          2HG       LYS 108 -11.448   6.387  -9.086
  853   2HG   LYS 108          3HG       LYS 108 -10.465   7.720  -9.680
  854   1HD   LYS 108          2HD       LYS 108  -9.203   6.178  -8.240
  855   2HD   LYS 108          3HD       LYS 108  -9.276   7.813  -7.574
  856   1HE   LYS 108          2HE       LYS 108  -9.661   6.180  -5.835
  857   2HE   LYS 108          3HE       LYS 108 -11.096   7.158  -6.127
  858   1HZ   LYS 108          1HZ       LYS 108 -10.806   4.328  -6.254
  859   2HZ   LYS 108          2HZ       LYS 108 -11.367   4.913  -7.741
  860   3HZ   LYS 108          3HZ       LYS 108 -12.219   5.255  -6.315
  861    H    SER 109           HN       SER 109 -13.368   9.596  -9.709
  862    HA   SER 109           HA       SER 109 -14.537  12.170  -9.075
  863   1HB   SER 109          2HB       SER 109 -16.133  11.533 -10.866
  864   2HB   SER 109          3HB       SER 109 -14.456  11.735 -11.340
  865    HG   SER 109           HG       SER 109 -16.015   9.426 -11.230
  866    H    GLU 110           HN       GLU 110 -14.738  11.055  -6.982
  867    HA   GLU 110           HA       GLU 110 -15.999  10.338  -5.230
  868   1HB   GLU 110          2HB       GLU 110 -18.252  11.093  -7.083
  869   2HB   GLU 110          3HB       GLU 110 -18.414  10.814  -5.356
  870   1HG   GLU 110          2HG       GLU 110 -16.883  12.693  -4.936
  871   2HG   GLU 110          3HG       GLU 110 -16.799  12.986  -6.672
  872    H    GLU 111           HN       GLU 111 -15.008   8.320  -6.647
  873    HA   GLU 111           HA       GLU 111 -16.856   6.470  -7.667
  874   1HB   GLU 111          2HB       GLU 111 -14.026   6.174  -6.689
  875   2HB   GLU 111          3HB       GLU 111 -14.934   4.846  -7.413
  876   1HG   GLU 111          2HG       GLU 111 -14.306   7.469  -8.749
  877   2HG   GLU 111          3HG       GLU 111 -13.444   5.956  -9.005
  878    HA   PRO 112           HA       PRO 112 -18.420   4.606  -3.946
  879   1HB   PRO 112          2HB       PRO 112 -19.527   2.572  -5.662
  880   2HB   PRO 112          3HB       PRO 112 -20.362   3.871  -4.827
  881   1HG   PRO 112          2HG       PRO 112 -20.172   3.797  -7.508
  882   2HG   PRO 112          3HG       PRO 112 -20.178   5.327  -6.603
  883   1HD   PRO 112          2HD       PRO 112 -17.846   3.749  -7.610
  884   2HD   PRO 112          3HD       PRO 112 -18.178   5.482  -7.833
  885    H    ASP 113           HN       ASP 113 -15.782   3.923  -4.295
  886    HA   ASP 113           HA       ASP 113 -14.947   1.492  -5.083
  887   1HB   ASP 113          2HB       ASP 113 -14.086   2.975  -2.598
  888   2HB   ASP 113          3HB       ASP 113 -13.224   1.579  -3.240
  889    H    ALA 114           HN       ALA 114 -15.966   1.995  -1.689
  890    HA   ALA 114           HA       ALA 114 -16.158  -0.882  -1.341
  891   1HB   ALA 114          1HB       ALA 114 -15.747   1.328   0.402
  892   2HB   ALA 114          2HB       ALA 114 -17.177   0.445   0.935
  893   3HB   ALA 114          3HB       ALA 114 -15.636  -0.398   0.757
  894    H    GLU 115           HN       GLU 115 -18.244   1.882  -1.613
  895    HA   GLU 115           HA       GLU 115 -20.629   0.184  -1.642
  896   1HB   GLU 115          2HB       GLU 115 -20.217   0.810   0.683
  897   2HB   GLU 115          3HB       GLU 115 -20.077   2.499   0.227
  898   1HG   GLU 115          2HG       GLU 115 -22.441   2.482  -0.446
  899   2HG   GLU 115          3HG       GLU 115 -22.558   0.807   0.100
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  14.109   6.499  -6.974
    2   2H    MET   1          2H        MET   1  13.043   5.191  -7.141
    3   3H    MET   1          3H        MET   1  14.441   5.271  -8.094
    4    HA   MET   1           HA       MET   1  14.173   3.927  -5.738
    5   1HB   MET   1          2HB       MET   1  16.600   3.575  -5.973
    6   2HB   MET   1          3HB       MET   1  15.776   3.447  -7.521
    7   1HG   MET   1          2HG       MET   1  16.515   5.655  -8.146
    8   2HG   MET   1          3HG       MET   1  17.237   5.896  -6.558
    9   1HE   MET   1          1HE       MET   1  18.496   2.369  -9.061
   10   2HE   MET   1          2HE       MET   1  16.898   3.113  -8.968
   11   3HE   MET   1          3HE       MET   1  18.086   3.713 -10.127
   12    H    SER   2           HN       SER   2  13.379   6.485  -4.919
   13    HA   SER   2           HA       SER   2  15.489   7.868  -3.602
   14   1HB   SER   2          2HB       SER   2  13.385   8.974  -4.248
   15   2HB   SER   2          3HB       SER   2  12.505   7.969  -3.098
   16    HG   SER   2           HG       SER   2  12.898   9.831  -2.036
   17    H    THR   3           HN       THR   3  16.446   7.439  -1.752
   18    HA   THR   3           HA       THR   3  15.520   5.260  -0.080
   19    HB   THR   3           HB       THR   3  17.647   5.734   1.182
   20    HG1  THR   3           1HG      THR   3  18.824   7.425   0.634
   21   1HG2  THR   3          1HG2      THR   3  17.310   4.230  -0.973
   22   2HG2  THR   3          2HG2      THR   3  18.907   4.483  -0.268
   23   3HG2  THR   3          3HG2      THR   3  18.406   5.416  -1.680
   24    H    THR   4           HN       THR   4  16.036   8.732   0.080
   25    HA   THR   4           HA       THR   4  15.649   9.151   2.790
   26    HB   THR   4           HB       THR   4  15.060  11.494   2.125
   27    HG1  THR   4           1HG      THR   4  14.350  10.302  -0.116
   28   1HG2  THR   4          1HG2      THR   4  17.267  11.804   2.037
   29   2HG2  THR   4          2HG2      THR   4  17.307  11.194   0.382
   30   3HG2  THR   4          3HG2      THR   4  17.479  10.078   1.738
   31    H    ILE   5           HN       ILE   5  13.971   9.050   4.077
   32    HA   ILE   5           HA       ILE   5  11.383   8.272   3.318
   33    HB   ILE   5           HB       ILE   5  12.458   9.459   5.870
   34   1HG1  ILE   5          2HG1      ILE   5  11.348   6.722   5.286
   35   2HG1  ILE   5          3HG1      ILE   5  13.063   7.105   5.152
   36   1HG2  ILE   5          1HG2      ILE   5  10.380   9.130   6.941
   37   2HG2  ILE   5          2HG2      ILE   5  10.027  10.032   5.466
   38   3HG2  ILE   5          3HG2      ILE   5   9.707   8.299   5.538
   39   1HD1  ILE   5          1HD1      ILE   5  13.359   7.006   7.366
   40   2HD1  ILE   5          2HD1      ILE   5  11.851   7.855   7.704
   41   3HD1  ILE   5          3HD1      ILE   5  11.831   6.125   7.364
   42    H    GLU   6           HN       GLU   6  12.776  11.456   3.974
   43    HA   GLU   6           HA       GLU   6  10.478  12.983   4.104
   44   1HB   GLU   6          2HB       GLU   6  11.875  14.859   3.212
   45   2HB   GLU   6          3HB       GLU   6  12.634  13.977   4.531
   46   1HG   GLU   6          2HG       GLU   6  14.049  12.793   2.986
   47   2HG   GLU   6          3HG       GLU   6  13.220  13.523   1.615
   48    H    LYS   7           HN       LYS   7  12.250  11.990   1.214
   49    HA   LYS   7           HA       LYS   7  10.373  13.172  -0.593
   50   1HB   LYS   7          2HB       LYS   7  12.590  11.167  -1.014
   51   2HB   LYS   7          3HB       LYS   7  11.631  11.867  -2.314
   52   1HG   LYS   7          2HG       LYS   7  13.312  13.451  -0.380
   53   2HG   LYS   7          3HG       LYS   7  13.816  12.973  -2.003
   54   1HD   LYS   7          2HD       LYS   7  12.003  14.245  -2.981
   55   2HD   LYS   7          3HD       LYS   7  11.385  14.649  -1.379
   56   1HE   LYS   7          2HE       LYS   7  14.105  15.447  -2.406
   57   2HE   LYS   7          3HE       LYS   7  12.678  16.480  -2.470
   58   1HZ   LYS   7          1HZ       LYS   7  12.546  16.218  -0.003
   59   2HZ   LYS   7          2HZ       LYS   7  13.895  17.085  -0.556
   60   3HZ   LYS   7          3HZ       LYS   7  14.072  15.478  -0.044
   61    H    ILE   8           HN       ILE   8  11.004   9.897   0.628
   62    HA   ILE   8           HA       ILE   8   9.213   8.472  -0.912
   63    HB   ILE   8           HB       ILE   8  10.080   8.072   1.940
   64   1HG1  ILE   8          2HG1      ILE   8  10.862   6.719  -0.653
   65   2HG1  ILE   8          3HG1      ILE   8  11.823   7.913   0.212
   66   1HG2  ILE   8          1HG2      ILE   8   7.883   6.870   0.650
   67   2HG2  ILE   8          2HG2      ILE   8   9.160   5.658   0.758
   68   3HG2  ILE   8          3HG2      ILE   8   8.590   6.473   2.216
   69   1HD1  ILE   8          1HD1      ILE   8  11.878   5.135   0.487
   70   2HD1  ILE   8          2HD1      ILE   8  12.731   6.336   1.459
   71   3HD1  ILE   8          3HD1      ILE   8  11.144   5.757   1.966
   72    H    GLN   9           HN       GLN   9   8.558  10.233   2.131
   73    HA   GLN   9           HA       GLN   9   5.871   9.398   2.277
   74   1HB   GLN   9          2HB       GLN   9   7.310  11.727   3.508
   75   2HB   GLN   9          3HB       GLN   9   5.583  11.485   3.743
   76   1HG   GLN   9          2HG       GLN   9   6.051   9.262   4.687
   77   2HG   GLN   9          3HG       GLN   9   7.778   9.573   4.504
   78   1HE2  GLN   9          1HE2      GLN   9   8.616   9.931   6.420
   79   2HE2  GLN   9          2HE2      GLN   9   7.947  10.946   7.653
   80    H    ARG  10           HN       ARG  10   7.380  12.005   0.537
   81    HA   ARG  10           HA       ARG  10   5.050  13.416  -0.189
   82   1HB   ARG  10          2HB       ARG  10   7.593  12.994  -1.766
   83   2HB   ARG  10          3HB       ARG  10   6.337  14.147  -2.179
   84   1HG   ARG  10          2HG       ARG  10   8.018  14.208   0.322
   85   2HG   ARG  10          3HG       ARG  10   8.252  15.202  -1.105
   86   1HD   ARG  10          2HD       ARG  10   7.133  16.568   0.432
   87   2HD   ARG  10          3HD       ARG  10   5.916  16.072  -0.742
   88    HE   ARG  10           HE       ARG  10   4.791  15.049   0.931
   89   1HH1  ARG  10          2HH1      ARG  10   8.091  15.550   2.003
   90   2HH1  ARG  10          1HH1      ARG  10   7.810  14.904   3.585
   91   1HH2  ARG  10          2HH2      ARG  10   4.422  14.185   3.033
   92   2HH2  ARG  10          1HH2      ARG  10   5.738  14.138   4.174
   93    H    GLN  11           HN       GLN  11   6.609  10.528  -1.525
   94    HA   GLN  11           HA       GLN  11   4.745  10.295  -3.705
   95   1HB   GLN  11          2HB       GLN  11   6.912   8.530  -2.655
   96   2HB   GLN  11          3HB       GLN  11   5.713   7.875  -3.763
   97   1HG   GLN  11          2HG       GLN  11   7.638   8.564  -5.004
   98   2HG   GLN  11          3HG       GLN  11   6.290   9.629  -5.387
   99   1HE2  GLN  11          1HE2      GLN  11   6.646  11.721  -5.323
  100   2HE2  GLN  11          2HE2      GLN  11   8.001  12.497  -4.570
  101    H    ILE  12           HN       ILE  12   5.073   8.631  -0.570
  102    HA   ILE  12           HA       ILE  12   2.976   6.835  -1.022
  103    HB   ILE  12           HB       ILE  12   3.781   8.023   1.637
  104   1HG1  ILE  12          2HG1      ILE  12   4.767   5.600   0.126
  105   2HG1  ILE  12          3HG1      ILE  12   5.704   6.993   0.672
  106   1HG2  ILE  12          1HG2      ILE  12   1.543   6.591   1.143
  107   2HG2  ILE  12          2HG2      ILE  12   2.691   5.297   1.505
  108   3HG2  ILE  12          3HG2      ILE  12   2.409   6.582   2.679
  109   1HD1  ILE  12          1HD1      ILE  12   6.164   5.961   2.558
  110   2HD1  ILE  12          2HD1      ILE  12   4.441   5.825   2.925
  111   3HD1  ILE  12          3HD1      ILE  12   5.253   4.552   2.008
  112    H    ALA  13           HN       ALA  13   2.970  10.044   0.391
  113    HA   ALA  13           HA       ALA  13   0.219  10.136   0.992
  114   1HB   ALA  13          1HB       ALA  13   2.174  11.676   1.741
  115   2HB   ALA  13          2HB       ALA  13   1.734  12.607   0.309
  116   3HB   ALA  13          3HB       ALA  13   0.542  12.328   1.579
  117    H    GLU  14           HN       GLU  14   2.041  11.108  -1.921
  118    HA   GLU  14           HA       GLU  14  -0.160  12.394  -3.126
  119   1HB   GLU  14          2HB       GLU  14   1.051  12.360  -5.230
  120   2HB   GLU  14          3HB       GLU  14   2.090  12.870  -3.910
  121   1HG   GLU  14          2HG       GLU  14   3.205  10.775  -3.880
  122   2HG   GLU  14          3HG       GLU  14   2.033  10.081  -5.000
  123    H    ASN  15           HN       ASN  15   0.807   9.036  -3.067
  124    HA   ASN  15           HA       ASN  15  -1.044   8.278  -5.152
  125   1HB   ASN  15          2HB       ASN  15   0.462   6.636  -3.104
  126   2HB   ASN  15          3HB       ASN  15  -0.562   5.946  -4.355
  127   1HD2  ASN  15          1HD2      ASN  15   2.530   6.662  -3.565
  128   2HD2  ASN  15          2HD2      ASN  15   3.225   6.769  -5.142
  129    HA   PRO  16           HA       PRO  16  -4.691   8.653  -2.685
  130   1HB   PRO  16          2HB       PRO  16  -5.704   6.694  -4.684
  131   2HB   PRO  16          3HB       PRO  16  -6.375   8.259  -4.217
  132   1HG   PRO  16          2HG       PRO  16  -5.132   7.967  -6.545
  133   2HG   PRO  16          3HG       PRO  16  -4.890   9.433  -5.573
  134   1HD   PRO  16          2HD       PRO  16  -3.097   7.065  -5.918
  135   2HD   PRO  16          3HD       PRO  16  -2.684   8.788  -5.814
  136    H    ILE  17           HN       ILE  17  -3.779   5.521  -3.955
  137    HA   ILE  17           HA       ILE  17  -4.382   4.248  -1.378
  138    HB   ILE  17           HB       ILE  17  -5.214   3.124  -4.076
  139   1HG1  ILE  17          2HG1      ILE  17  -6.607   5.091  -3.542
  140   2HG1  ILE  17          3HG1      ILE  17  -7.536   3.599  -3.508
  141   1HG2  ILE  17          1HG2      ILE  17  -6.494   1.504  -2.756
  142   2HG2  ILE  17          2HG2      ILE  17  -4.757   1.421  -2.440
  143   3HG2  ILE  17          3HG2      ILE  17  -5.827   2.210  -1.275
  144   1HD1  ILE  17          1HD1      ILE  17  -8.242   4.112  -1.473
  145   2HD1  ILE  17          2HD1      ILE  17  -6.580   4.114  -0.883
  146   3HD1  ILE  17          3HD1      ILE  17  -7.291   5.603  -1.520
  147    H    LEU  18           HN       LEU  18  -2.535   3.109  -0.843
  148    HA   LEU  18           HA       LEU  18  -0.776   2.436  -3.109
  149   1HB   LEU  18          2HB       LEU  18  -0.270   4.580  -1.914
  150   2HB   LEU  18          3HB       LEU  18   0.107   3.628  -0.493
  151    HG   LEU  18           HG       LEU  18   1.938   2.536  -1.683
  152   1HD1  LEU  18          1HD1      LEU  18   2.452   3.900  -3.942
  153   2HD1  LEU  18          2HD1      LEU  18   1.568   2.374  -3.907
  154   3HD1  LEU  18          3HD1      LEU  18   0.690   3.903  -3.980
  155   1HD2  LEU  18          1HD2      LEU  18   1.968   5.548  -1.903
  156   2HD2  LEU  18          2HD2      LEU  18   2.399   4.603  -0.478
  157   3HD2  LEU  18          3HD2      LEU  18   3.389   4.506  -1.932
  158    H    LEU  19           HN       LEU  19   0.503   0.705  -2.982
  159    HA   LEU  19           HA       LEU  19   0.330  -1.053  -0.631
  160   1HB   LEU  19          2HB       LEU  19  -1.293  -1.964  -2.052
  161   2HB   LEU  19          3HB       LEU  19  -0.391  -1.558  -3.497
  162    HG   LEU  19           HG       LEU  19   1.219  -3.343  -2.990
  163   1HD1  LEU  19          1HD1      LEU  19  -0.163  -3.356  -0.459
  164   2HD1  LEU  19          2HD1      LEU  19  -0.232  -4.958  -1.198
  165   3HD1  LEU  19          3HD1      LEU  19   1.328  -4.178  -0.918
  166   1HD2  LEU  19          1HD2      LEU  19  -1.651  -4.256  -3.091
  167   2HD2  LEU  19          2HD2      LEU  19  -0.675  -3.739  -4.467
  168   3HD2  LEU  19          3HD2      LEU  19  -0.239  -5.198  -3.573
  169    H    TYR  20           HN       TYR  20   2.381  -1.493   0.018
  170    HA   TYR  20           HA       TYR  20   4.509  -1.413  -2.003
  171   1HB   TYR  20          2HB       TYR  20   4.493  -1.217   0.985
  172   2HB   TYR  20          3HB       TYR  20   5.966  -1.694   0.142
  173    HD1  TYR  20           1HD      TYR  20   7.465  -0.031  -0.223
  174    HD2  TYR  20           2HD      TYR  20   3.329   0.966  -0.229
  175    HE1  TYR  20           1HE      TYR  20   8.052   2.312  -0.648
  176    HE2  TYR  20           2HE      TYR  20   3.902   3.317  -0.656
  177    HH   TYR  20           HH       TYR  20   6.868   4.609  -0.214
  178    H    MET  21           HN       MET  21   5.264  -3.216  -2.859
  179    HA   MET  21           HA       MET  21   5.586  -5.573  -1.199
  180   1HB   MET  21          2HB       MET  21   3.748  -5.454  -3.533
  181   2HB   MET  21          3HB       MET  21   4.655  -6.923  -3.221
  182   1HG   MET  21          2HG       MET  21   3.058  -5.566  -1.147
  183   2HG   MET  21          3HG       MET  21   2.398  -6.820  -2.207
  184   1HE   MET  21          1HE       MET  21   3.733  -8.928  -2.707
  185   2HE   MET  21          2HE       MET  21   5.428  -8.822  -2.227
  186   3HE   MET  21          3HE       MET  21   4.348  -9.951  -1.409
  187    H    LYS  22           HN       LYS  22   6.118  -7.386  -3.327
  188    HA   LYS  22           HA       LYS  22   8.682  -6.321  -4.261
  189   1HB   LYS  22          2HB       LYS  22   8.739  -8.462  -3.037
  190   2HB   LYS  22          3HB       LYS  22   7.630  -9.158  -4.204
  191   1HG   LYS  22          2HG       LYS  22   9.287  -9.014  -5.943
  192   2HG   LYS  22          3HG       LYS  22  10.395  -8.163  -4.860
  193   1HD   LYS  22          2HD       LYS  22  10.430 -10.124  -3.379
  194   2HD   LYS  22          3HD       LYS  22   9.354 -10.971  -4.488
  195   1HE   LYS  22          2HE       LYS  22  12.092  -9.937  -5.201
  196   2HE   LYS  22          3HE       LYS  22  11.738 -11.599  -4.735
  197   1HZ   LYS  22          1HZ       LYS  22  11.521 -10.407  -7.267
  198   2HZ   LYS  22          2HZ       LYS  22   9.980 -10.907  -6.776
  199   3HZ   LYS  22          3HZ       LYS  22  11.249 -12.023  -6.829
  200    H    GLY  23           HN       GLY  23   8.580  -5.429  -6.123
  201   1HA   GLY  23          1HA       GLY  23   6.372  -6.011  -7.913
  202   2HA   GLY  23          2HA       GLY  23   7.486  -4.657  -8.031
  203    H    SER  24           HN       SER  24   7.435  -8.186  -8.317
  204    HA   SER  24           HA       SER  24   9.696  -8.145 -10.105
  205   1HB   SER  24          2HB       SER  24   9.299 -10.588 -10.304
  206   2HB   SER  24          3HB       SER  24   9.434 -10.053  -8.632
  207    HG   SER  24           HG       SER  24   6.881  -9.893  -9.293
  208    HA   PRO  25           HA       PRO  25   7.687  -7.312 -13.916
  209   1HB   PRO  25          2HB       PRO  25   8.929  -9.298 -15.480
  210   2HB   PRO  25          3HB       PRO  25   9.494  -7.644 -15.244
  211   1HG   PRO  25          2HG       PRO  25  10.361 -10.153 -13.906
  212   2HG   PRO  25          3HG       PRO  25  11.304  -8.710 -14.318
  213   1HD   PRO  25          2HD       PRO  25  10.545  -9.223 -11.793
  214   2HD   PRO  25          3HD       PRO  25  10.607  -7.564 -12.428
  215    H    LYS  26           HN       LYS  26   8.047 -10.720 -13.065
  216    HA   LYS  26           HA       LYS  26   5.866 -11.689 -14.589
  217   1HB   LYS  26          2HB       LYS  26   6.107 -13.724 -13.190
  218   2HB   LYS  26          3HB       LYS  26   7.615 -13.188 -13.916
  219   1HG   LYS  26          2HG       LYS  26   8.232 -12.133 -11.771
  220   2HG   LYS  26          3HG       LYS  26   6.753 -12.785 -11.060
  221   1HD   LYS  26          2HD       LYS  26   7.509 -15.055 -11.568
  222   2HD   LYS  26          3HD       LYS  26   8.982 -14.405 -12.288
  223   1HE   LYS  26          2HE       LYS  26   9.582 -13.414 -10.119
  224   2HE   LYS  26          3HE       LYS  26   8.129 -14.120  -9.411
  225   1HZ   LYS  26          1HZ       LYS  26  10.549 -15.492 -10.403
  226   2HZ   LYS  26          2HZ       LYS  26   9.080 -16.321 -10.249
  227   3HZ   LYS  26          3HZ       LYS  26   9.800 -15.619  -8.884
  228    H    LEU  27           HN       LEU  27   6.093 -10.354 -11.342
  229    HA   LEU  27           HA       LEU  27   3.186 -10.239 -11.160
  230   1HB   LEU  27          2HB       LEU  27   4.195 -12.502 -10.280
  231   2HB   LEU  27          3HB       LEU  27   4.720 -11.525  -8.921
  232    HG   LEU  27           HG       LEU  27   1.849 -11.968  -9.783
  233   1HD1  LEU  27          1HD1      LEU  27   1.762 -13.141  -7.541
  234   2HD1  LEU  27          2HD1      LEU  27   2.625 -13.974  -8.836
  235   3HD1  LEU  27          3HD1      LEU  27   3.527 -13.126  -7.578
  236   1HD2  LEU  27          1HD2      LEU  27   1.126 -10.553  -8.174
  237   2HD2  LEU  27          2HD2      LEU  27   2.519 -10.844  -7.134
  238   3HD2  LEU  27          3HD2      LEU  27   2.667  -9.770  -8.523
  239    HA   PRO  28           HA       PRO  28   4.942  -6.445  -9.486
  240   1HB   PRO  28          2HB       PRO  28   2.552  -5.183  -9.109
  241   2HB   PRO  28          3HB       PRO  28   3.375  -5.279 -10.662
  242   1HG   PRO  28          2HG       PRO  28   1.111  -6.898  -9.587
  243   2HG   PRO  28          3HG       PRO  28   1.350  -6.244 -11.218
  244   1HD   PRO  28          2HD       PRO  28   1.817  -8.814 -10.613
  245   2HD   PRO  28          3HD       PRO  28   2.768  -7.943 -11.825
  246    H    SER  29           HN       SER  29   3.785  -8.812  -7.717
  247    HA   SER  29           HA       SER  29   4.339  -7.531  -5.273
  248   1HB   SER  29          2HB       SER  29   2.128  -8.025  -4.228
  249   2HB   SER  29          3HB       SER  29   2.137  -6.708  -5.395
  250    HG   SER  29           HG       SER  29   0.357  -8.232  -5.607
  251    H    CYS  30           HN       CYS  30   5.568  -9.589  -6.457
  252    HA   CYS  30           HA       CYS  30   4.655 -12.158  -5.654
  253   1HB   CYS  30          2HB       CYS  30   6.374 -11.773  -7.420
  254   2HB   CYS  30          3HB       CYS  30   7.488 -11.236  -6.171
  255    HG   CYS  30           HG       CYS  30   6.775 -14.305  -7.177
  256    H    GLY  31           HN       GLY  31   4.615 -12.988  -3.673
  257   1HA   GLY  31          1HA       GLY  31   6.259 -13.201  -1.640
  258   2HA   GLY  31          2HA       GLY  31   5.924 -11.476  -1.538
  259    H    PHE  32           HN       PHE  32   4.683 -11.261   0.239
  260    HA   PHE  32           HA       PHE  32   2.657 -13.235   0.834
  261   1HB   PHE  32          2HB       PHE  32   3.407 -10.673   2.195
  262   2HB   PHE  32          3HB       PHE  32   1.971 -11.578   2.655
  263    HD1  PHE  32           1HD      PHE  32   2.089 -13.327   4.103
  264    HD2  PHE  32           2HD      PHE  32   5.657 -11.907   2.268
  265    HE1  PHE  32           1HE      PHE  32   3.431 -14.745   5.613
  266    HE2  PHE  32           2HE      PHE  32   7.005 -13.334   3.759
  267    HZ   PHE  32           HZ       PHE  32   5.889 -14.752   5.435
  268    H    SER  33           HN       SER  33   2.574  -9.894  -0.362
  269    HA   SER  33           HA       SER  33  -0.099  -9.415  -0.020
  270   1HB   SER  33          2HB       SER  33   1.496  -7.706  -0.762
  271   2HB   SER  33          3HB       SER  33   1.524  -8.443  -2.362
  272    HG   SER  33           HG       SER  33  -0.442  -6.903  -1.140
  273    H    ALA  34           HN       ALA  34   1.134 -11.808  -2.035
  274    HA   ALA  34           HA       ALA  34  -0.481 -11.912  -4.247
  275   1HB   ALA  34          1HB       ALA  34   0.884 -13.887  -2.567
  276   2HB   ALA  34          2HB       ALA  34  -0.497 -14.525  -3.462
  277   3HB   ALA  34          3HB       ALA  34   0.824 -13.735  -4.323
  278    H    GLN  35           HN       GLN  35  -1.360 -12.836  -0.895
  279    HA   GLN  35           HA       GLN  35  -4.070 -13.412  -1.751
  280   1HB   GLN  35          2HB       GLN  35  -4.519 -14.260   0.347
  281   2HB   GLN  35          3HB       GLN  35  -2.790 -14.550   0.231
  282   1HG   GLN  35          2HG       GLN  35  -3.929 -12.157   1.620
  283   2HG   GLN  35          3HG       GLN  35  -3.657 -13.698   2.425
  284   1HE2  GLN  35          1HE2      GLN  35  -2.398 -10.757   1.774
  285   2HE2  GLN  35          2HE2      GLN  35  -0.724 -11.090   2.061
  286    H    ALA  36           HN       ALA  36  -2.327 -10.810  -0.162
  287    HA   ALA  36           HA       ALA  36  -4.530  -9.349   0.786
  288   1HB   ALA  36          1HB       ALA  36  -1.844  -8.179   0.076
  289   2HB   ALA  36          2HB       ALA  36  -2.993  -7.609   1.290
  290   3HB   ALA  36          3HB       ALA  36  -2.135  -9.133   1.533
  291    H    VAL  37           HN       VAL  37  -2.640  -9.010  -2.176
  292    HA   VAL  37           HA       VAL  37  -3.735  -6.672  -3.170
  293    HB   VAL  37           HB       VAL  37  -1.792  -7.773  -4.164
  294   1HG1  VAL  37          1HG1      VAL  37  -2.912  -9.621  -5.955
  295   2HG1  VAL  37          2HG1      VAL  37  -1.795  -9.930  -4.626
  296   3HG1  VAL  37          3HG1      VAL  37  -3.535 -10.020  -4.355
  297   1HG2  VAL  37          1HG2      VAL  37  -2.135  -6.957  -6.269
  298   2HG2  VAL  37          2HG2      VAL  37  -3.704  -7.749  -6.436
  299   3HG2  VAL  37          3HG2      VAL  37  -3.555  -6.275  -5.473
  300    H    GLN  38           HN       GLN  38  -4.952  -9.959  -3.336
  301    HA   GLN  38           HA       GLN  38  -7.032  -9.542  -5.172
  302   1HB   GLN  38          2HB       GLN  38  -7.199 -11.480  -2.870
  303   2HB   GLN  38          3HB       GLN  38  -7.876 -11.646  -4.484
  304   1HG   GLN  38          2HG       GLN  38  -4.963 -11.778  -3.728
  305   2HG   GLN  38          3HG       GLN  38  -5.997 -13.127  -4.191
  306   1HE2  GLN  38          1HE2      GLN  38  -7.008 -10.797  -6.204
  307   2HE2  GLN  38          2HE2      GLN  38  -5.909 -11.001  -7.521
  308    H    ALA  39           HN       ALA  39  -6.934  -9.356  -1.647
  309    HA   ALA  39           HA       ALA  39  -9.642  -8.774  -1.176
  310   1HB   ALA  39          1HB       ALA  39  -8.325  -9.410   0.672
  311   2HB   ALA  39          2HB       ALA  39  -7.139  -8.139   0.365
  312   3HB   ALA  39          3HB       ALA  39  -8.753  -7.720   0.947
  313    H    LEU  40           HN       LEU  40  -6.863  -6.627  -1.688
  314    HA   LEU  40           HA       LEU  40  -8.162  -4.211  -1.163
  315   1HB   LEU  40          2HB       LEU  40  -5.641  -4.934  -1.789
  316   2HB   LEU  40          3HB       LEU  40  -6.141  -4.230  -3.306
  317    HG   LEU  40           HG       LEU  40  -5.999  -2.856  -0.627
  318   1HD1  LEU  40          1HD1      LEU  40  -4.684  -1.497  -2.762
  319   2HD1  LEU  40          2HD1      LEU  40  -4.009  -2.161  -1.273
  320   3HD1  LEU  40          3HD1      LEU  40  -4.140  -3.177  -2.710
  321   1HD2  LEU  40          1HD2      LEU  40  -7.721  -2.252  -2.839
  322   2HD2  LEU  40          2HD2      LEU  40  -7.581  -1.450  -1.272
  323   3HD2  LEU  40          3HD2      LEU  40  -6.543  -0.959  -2.612
  324    H    ALA  41           HN       ALA  41  -7.360  -5.646  -4.310
  325    HA   ALA  41           HA       ALA  41  -8.706  -3.796  -5.902
  326   1HB   ALA  41          1HB       ALA  41  -7.518  -4.979  -7.368
  327   2HB   ALA  41          2HB       ALA  41  -7.394  -6.348  -6.264
  328   3HB   ALA  41          3HB       ALA  41  -8.803  -6.186  -7.312
  329    H    ALA  42           HN       ALA  42  -9.768  -6.621  -4.203
  330    HA   ALA  42           HA       ALA  42 -12.308  -6.848  -5.505
  331   1HB   ALA  42          1HB       ALA  42 -11.934  -7.833  -2.720
  332   2HB   ALA  42          2HB       ALA  42 -12.755  -8.589  -4.088
  333   3HB   ALA  42          3HB       ALA  42 -10.992  -8.574  -4.016
  334    H    CYS  43           HN       CYS  43 -11.270  -5.495  -2.409
  335    HA   CYS  43           HA       CYS  43 -13.862  -4.810  -1.602
  336   1HB   CYS  43          2HB       CYS  43 -12.786  -3.713   0.275
  337   2HB   CYS  43          3HB       CYS  43 -12.026  -5.247  -0.056
  338    HG   CYS  43           HG       CYS  43 -10.007  -3.701  -1.653
  339    H    GLY  44           HN       GLY  44 -11.209  -2.623  -2.635
  340   1HA   GLY  44          1HA       GLY  44 -13.231  -0.522  -2.974
  341   2HA   GLY  44          2HA       GLY  44 -11.500  -0.263  -2.822
  342    H    GLU  45           HN       GLU  45 -11.291   0.977  -4.599
  343    HA   GLU  45           HA       GLU  45 -11.841  -0.284  -7.193
  344   1HB   GLU  45          2HB       GLU  45 -11.402   2.605  -6.486
  345   2HB   GLU  45          3HB       GLU  45 -11.323   2.017  -8.140
  346   1HG   GLU  45          2HG       GLU  45 -13.634   1.147  -7.875
  347   2HG   GLU  45          3HG       GLU  45 -13.692   1.924  -6.293
  348    H    ARG  46           HN       ARG  46  -9.936   1.494  -8.534
  349    HA   ARG  46           HA       ARG  46  -7.750  -0.303  -8.370
  350   1HB   ARG  46          2HB       ARG  46  -6.694   0.938 -10.146
  351   2HB   ARG  46          3HB       ARG  46  -8.378   0.620 -10.519
  352   1HG   ARG  46          2HG       ARG  46  -8.032   2.786 -11.213
  353   2HG   ARG  46          3HG       ARG  46  -8.820   2.948  -9.649
  354   1HD   ARG  46          2HD       ARG  46  -6.697   3.398  -8.589
  355   2HD   ARG  46          3HD       ARG  46  -5.853   3.144 -10.115
  356    HE   ARG  46           HE       ARG  46  -7.797   5.154 -10.470
  357   1HH1  ARG  46          2HH1      ARG  46  -4.671   4.670  -8.921
  358   2HH1  ARG  46          1HH1      ARG  46  -4.246   6.359  -8.991
  359   1HH2  ARG  46          2HH2      ARG  46  -7.222   7.347 -10.562
  360   2HH2  ARG  46          1HH2      ARG  46  -5.706   7.876  -9.897
  361    H    PHE  47           HN       PHE  47  -5.615   0.066  -7.908
  362    HA   PHE  47           HA       PHE  47  -5.146   2.244  -5.994
  363   1HB   PHE  47          2HB       PHE  47  -4.401   0.666  -4.326
  364   2HB   PHE  47          3HB       PHE  47  -6.020   0.228  -4.840
  365    HD1  PHE  47           1HD      PHE  47  -2.429  -0.629  -5.423
  366    HD2  PHE  47           2HD      PHE  47  -6.495  -1.924  -5.510
  367    HE1  PHE  47           1HE      PHE  47  -1.687  -2.935  -5.862
  368    HE2  PHE  47           2HE      PHE  47  -5.752  -4.230  -5.945
  369    HZ   PHE  47           HZ       PHE  47  -3.349  -4.736  -6.131
  370    H    ALA  48           HN       ALA  48  -2.916   2.550  -5.451
  371    HA   ALA  48           HA       ALA  48  -1.143   1.796  -7.647
  372   1HB   ALA  48          1HB       ALA  48  -1.556   4.234  -6.450
  373   2HB   ALA  48          2HB       ALA  48  -0.062   3.670  -5.702
  374   3HB   ALA  48          3HB       ALA  48  -0.176   3.797  -7.456
  375    H    TYR  49           HN       TYR  49   0.962   1.014  -7.204
  376    HA   TYR  49           HA       TYR  49   1.310  -0.165  -4.525
  377   1HB   TYR  49          2HB       TYR  49   1.618  -2.323  -5.370
  378   2HB   TYR  49          3HB       TYR  49   0.319  -1.732  -6.402
  379    HD1  TYR  49           1HD      TYR  49   0.670  -1.465  -8.768
  380    HD2  TYR  49           2HD      TYR  49   3.900  -2.426  -6.184
  381    HE1  TYR  49           1HE      TYR  49   2.077  -1.976 -10.725
  382    HE2  TYR  49           2HE      TYR  49   5.329  -2.909  -8.112
  383    HH   TYR  49           HH       TYR  49   4.175  -3.449 -11.171
  384    H    VAL  50           HN       VAL  50   3.562  -0.637  -4.070
  385    HA   VAL  50           HA       VAL  50   5.487   0.538  -5.956
  386    HB   VAL  50           HB       VAL  50   5.590   0.907  -2.947
  387   1HG1  VAL  50          1HG1      VAL  50   7.446   1.544  -5.177
  388   2HG1  VAL  50          2HG1      VAL  50   7.330   2.693  -3.844
  389   3HG1  VAL  50          3HG1      VAL  50   7.790   1.019  -3.526
  390   1HG2  VAL  50          1HG2      VAL  50   5.443   3.388  -4.306
  391   2HG2  VAL  50          2HG2      VAL  50   4.130   2.372  -4.903
  392   3HG2  VAL  50          3HG2      VAL  50   4.287   2.683  -3.174
  393    H    ASP  51           HN       ASP  51   7.178  -0.718  -6.323
  394    HA   ASP  51           HA       ASP  51   7.410  -3.207  -4.879
  395   1HB   ASP  51          2HB       ASP  51   9.346  -3.630  -6.435
  396   2HB   ASP  51          3HB       ASP  51   7.792  -3.399  -7.219
  397    H    ILE  52           HN       ILE  52   8.842  -3.734  -3.415
  398    HA   ILE  52           HA       ILE  52  11.077  -2.046  -2.730
  399    HB   ILE  52           HB       ILE  52  10.128  -2.186  -0.241
  400   1HG1  ILE  52          2HG1      ILE  52   7.726  -1.385  -0.378
  401   2HG1  ILE  52          3HG1      ILE  52   7.733  -1.982  -2.032
  402   1HG2  ILE  52          1HG2      ILE  52  10.647  -0.220  -2.098
  403   2HG2  ILE  52          2HG2      ILE  52   9.020   0.145  -1.519
  404   3HG2  ILE  52          3HG2      ILE  52  10.352  -0.002  -0.371
  405   1HD1  ILE  52          1HD1      ILE  52   7.105  -3.385   0.261
  406   2HD1  ILE  52          2HD1      ILE  52   7.355  -4.036  -1.362
  407   3HD1  ILE  52          3HD1      ILE  52   8.697  -3.978  -0.220
  408    H    LEU  53           HN       LEU  53   9.239  -5.022  -2.160
  409    HA   LEU  53           HA       LEU  53  11.459  -6.223  -0.745
  410   1HB   LEU  53          2HB       LEU  53   9.115  -7.585  -2.105
  411   2HB   LEU  53          3HB       LEU  53  10.396  -8.420  -1.259
  412    HG   LEU  53           HG       LEU  53   8.836  -8.395   0.374
  413   1HD1  LEU  53          1HD1      LEU  53   9.192  -6.359   1.861
  414   2HD1  LEU  53          2HD1      LEU  53  10.597  -7.345   1.448
  415   3HD1  LEU  53          3HD1      LEU  53  10.314  -5.818   0.610
  416   1HD2  LEU  53          1HD2      LEU  53   7.416  -6.166   0.671
  417   2HD2  LEU  53          2HD2      LEU  53   7.753  -6.056  -1.056
  418   3HD2  LEU  53          3HD2      LEU  53   6.935  -7.476  -0.408
  419    H    GLN  54           HN       GLN  54  10.999  -5.098  -3.744
  420    HA   GLN  54           HA       GLN  54  12.774  -7.007  -5.061
  421   1HB   GLN  54          2HB       GLN  54  10.732  -6.402  -6.272
  422   2HB   GLN  54          3HB       GLN  54  11.155  -4.700  -6.172
  423   1HG   GLN  54          2HG       GLN  54  13.002  -6.606  -7.536
  424   2HG   GLN  54          3HG       GLN  54  11.554  -6.047  -8.363
  425   1HE2  GLN  54          1HE2      GLN  54  12.050  -3.482  -6.645
  426   2HE2  GLN  54          2HE2      GLN  54  13.176  -2.600  -7.610
  427    H    ASN  55           HN       ASN  55  12.531  -3.554  -4.197
  428    HA   ASN  55           HA       ASN  55  15.268  -3.013  -5.018
  429   1HB   ASN  55          2HB       ASN  55  13.305  -1.288  -3.485
  430   2HB   ASN  55          3HB       ASN  55  14.882  -0.763  -4.059
  431   1HD2  ASN  55          1HD2      ASN  55  11.716  -0.595  -4.676
  432   2HD2  ASN  55          2HD2      ASN  55  11.736  -0.385  -6.391
  433    HA   PRO  56           HA       PRO  56  16.867  -4.370  -1.063
  434   1HB   PRO  56          2HB       PRO  56  19.403  -3.419  -1.424
  435   2HB   PRO  56          3HB       PRO  56  18.822  -4.944  -2.101
  436   1HG   PRO  56          2HG       PRO  56  19.127  -2.279  -3.415
  437   2HG   PRO  56          3HG       PRO  56  19.475  -3.895  -4.058
  438   1HD   PRO  56          2HD       PRO  56  17.227  -2.510  -4.687
  439   2HD   PRO  56          3HD       PRO  56  17.277  -4.283  -4.615
  440    H    ASP  57           HN       ASP  57  17.654  -1.134  -2.326
  441    HA   ASP  57           HA       ASP  57  18.348  -0.048   0.191
  442   1HB   ASP  57          2HB       ASP  57  17.493   1.395  -2.330
  443   2HB   ASP  57          3HB       ASP  57  18.294   2.138  -0.952
  444    H    ILE  58           HN       ILE  58  15.498   0.575  -1.824
  445    HA   ILE  58           HA       ILE  58  14.201   2.268  -0.026
  446    HB   ILE  58           HB       ILE  58  12.805   0.517  -2.051
  447   1HG1  ILE  58          2HG1      ILE  58  14.157   3.201  -2.455
  448   2HG1  ILE  58          3HG1      ILE  58  14.745   1.665  -3.081
  449   1HG2  ILE  58          1HG2      ILE  58  11.152   2.238  -2.094
  450   2HG2  ILE  58          2HG2      ILE  58  11.457   1.853  -0.400
  451   3HG2  ILE  58          3HG2      ILE  58  12.155   3.306  -1.114
  452   1HD1  ILE  58          1HD1      ILE  58  13.189   3.425  -4.444
  453   2HD1  ILE  58          2HD1      ILE  58  13.339   1.706  -4.815
  454   3HD1  ILE  58          3HD1      ILE  58  11.991   2.283  -3.834
  455    H    ARG  59           HN       ARG  59  14.193  -1.198  -0.334
  456    HA   ARG  59           HA       ARG  59  12.032  -1.964   1.199
  457   1HB   ARG  59          2HB       ARG  59  13.517  -3.481  -0.083
  458   2HB   ARG  59          3HB       ARG  59  14.765  -3.252   1.131
  459   1HG   ARG  59          2HG       ARG  59  13.277  -4.258   2.815
  460   2HG   ARG  59          3HG       ARG  59  12.079  -4.547   1.551
  461   1HD   ARG  59          2HD       ARG  59  13.356  -6.564   1.945
  462   2HD   ARG  59          3HD       ARG  59  13.728  -5.928   0.343
  463    HE   ARG  59           HE       ARG  59  15.589  -4.914   2.199
  464   1HH1  ARG  59          2HH1      ARG  59  14.751  -7.918   0.596
  465   2HH1  ARG  59          1HH1      ARG  59  16.349  -8.580   0.738
  466   1HH2  ARG  59          2HH2      ARG  59  17.669  -5.774   2.379
  467   2HH2  ARG  59          1HH2      ARG  59  18.012  -7.358   1.743
  468    H    ALA  60           HN       ALA  60  15.170  -0.773   2.262
  469    HA   ALA  60           HA       ALA  60  14.738  -1.653   4.955
  470   1HB   ALA  60          1HB       ALA  60  16.937  -1.746   4.844
  471   2HB   ALA  60          2HB       ALA  60  16.956  -0.798   3.356
  472   3HB   ALA  60          3HB       ALA  60  16.972   0.014   4.922
  473    H    GLU  61           HN       GLU  61  14.809   1.535   3.408
  474    HA   GLU  61           HA       GLU  61  15.031   2.901   5.827
  475   1HB   GLU  61          2HB       GLU  61  14.722   3.671   3.001
  476   2HB   GLU  61          3HB       GLU  61  14.285   4.885   4.184
  477   1HG   GLU  61          2HG       GLU  61  16.544   5.223   3.516
  478   2HG   GLU  61          3HG       GLU  61  16.527   4.671   5.183
  479    H    LEU  62           HN       LEU  62  12.234   3.175   3.573
  480    HA   LEU  62           HA       LEU  62  10.872   4.757   5.458
  481   1HB   LEU  62          2HB       LEU  62   8.959   4.781   4.046
  482   2HB   LEU  62          3HB       LEU  62  10.403   4.964   3.063
  483    HG   LEU  62           HG       LEU  62   9.109   2.270   3.396
  484   1HD1  LEU  62          1HD1      LEU  62   7.906   4.562   2.209
  485   2HD1  LEU  62          2HD1      LEU  62   8.356   3.429   0.934
  486   3HD1  LEU  62          3HD1      LEU  62   7.315   2.901   2.255
  487   1HD2  LEU  62          1HD2      LEU  62  10.900   1.782   2.181
  488   2HD2  LEU  62          2HD2      LEU  62  10.085   2.607   0.850
  489   3HD2  LEU  62          3HD2      LEU  62  11.239   3.482   1.856
  490    HA   PRO  63           HA       PRO  63   8.121   0.734   6.184
  491   1HB   PRO  63          2HB       PRO  63   9.802  -1.335   6.909
  492   2HB   PRO  63          3HB       PRO  63   9.003  -1.193   5.339
  493   1HG   PRO  63          2HG       PRO  63  11.779  -0.383   6.126
  494   2HG   PRO  63          3HG       PRO  63  11.236  -1.250   4.675
  495   1HD   PRO  63          2HD       PRO  63  11.780   1.324   4.525
  496   2HD   PRO  63          3HD       PRO  63  10.325   0.681   3.722
  497    H    LYS  64           HN       LYS  64  11.323   1.229   7.519
  498    HA   LYS  64           HA       LYS  64  10.868   0.704  10.216
  499   1HB   LYS  64          2HB       LYS  64  12.608   2.932   9.156
  500   2HB   LYS  64          3HB       LYS  64  12.792   2.060  10.669
  501   1HG   LYS  64          2HG       LYS  64  13.211  -0.007   9.262
  502   2HG   LYS  64          3HG       LYS  64  13.296   1.071   7.886
  503   1HD   LYS  64          2HD       LYS  64  15.017   1.389  10.332
  504   2HD   LYS  64          3HD       LYS  64  15.504   0.453   8.922
  505   1HE   LYS  64          2HE       LYS  64  16.488   2.626   8.762
  506   2HE   LYS  64          3HE       LYS  64  15.230   2.501   7.540
  507   1HZ   LYS  64          1HZ       LYS  64  15.422   4.616   8.983
  508   2HZ   LYS  64          2HZ       LYS  64  14.611   3.702  10.157
  509   3HZ   LYS  64          3HZ       LYS  64  13.889   3.983   8.650
  510    H    TYR  65           HN       TYR  65  10.261   3.560   8.244
  511    HA   TYR  65           HA       TYR  65   9.537   5.199  10.429
  512   1HB   TYR  65          2HB       TYR  65   9.497   6.896   8.949
  513   2HB   TYR  65          3HB       TYR  65  10.214   5.743   7.847
  514    HD1  TYR  65           1HD      TYR  65   6.706   6.556   8.931
  515    HD2  TYR  65           2HD      TYR  65   9.409   5.957   5.686
  516    HE1  TYR  65           1HE      TYR  65   4.899   7.016   7.345
  517    HE2  TYR  65           2HE      TYR  65   7.580   6.427   4.094
  518    HH   TYR  65           HH       TYR  65   4.644   6.239   4.547
  519    H    ALA  66           HN       ALA  66   7.629   3.092   8.224
  520    HA   ALA  66           HA       ALA  66   5.141   4.187   9.065
  521   1HB   ALA  66          1HB       ALA  66   4.976   1.409   8.295
  522   2HB   ALA  66          2HB       ALA  66   4.370   2.856   7.465
  523   3HB   ALA  66          3HB       ALA  66   6.031   2.317   7.203
  524    H    ASN  67           HN       ASN  67   6.784   1.168   9.863
  525    HA   ASN  67           HA       ASN  67   6.482   1.467  12.591
  526   1HB   ASN  67          2HB       ASN  67   4.092   0.959  12.220
  527   2HB   ASN  67          3HB       ASN  67   4.535  -0.552  11.438
  528   1HD2  ASN  67          1HD2      ASN  67   3.336   0.654  14.174
  529   2HD2  ASN  67          2HD2      ASN  67   3.901  -0.528  15.318
  530    H    TRP  68           HN       TRP  68   6.327  -1.071  10.153
  531    HA   TRP  68           HA       TRP  68   8.249  -2.530  11.685
  532   1HB   TRP  68          2HB       TRP  68   7.450  -4.507  10.614
  533   2HB   TRP  68          3HB       TRP  68   6.227  -3.629  11.479
  534    HD1  TRP  68           1HD      TRP  68   7.054  -5.078   8.161
  535    HE1  TRP  68           1HE      TRP  68   4.924  -4.921   6.669
  536    HE3  TRP  68           3HE      TRP  68   4.480  -1.739  10.908
  537    HZ2  TRP  68           2HZ      TRP  68   2.435  -3.538   6.741
  538    HZ3  TRP  68           3HZ      TRP  68   2.226  -1.059  10.193
  539    HH2  TRP  68           2HH      TRP  68   1.250  -1.915   8.133
  540    HA   PRO  69           HA       PRO  69  11.933  -2.364   9.615
  541   1HB   PRO  69          2HB       PRO  69  11.608  -5.333   9.353
  542   2HB   PRO  69          3HB       PRO  69  13.039  -4.400   9.809
  543   1HG   PRO  69          2HG       PRO  69  11.502  -5.542  11.665
  544   2HG   PRO  69          3HG       PRO  69  12.237  -3.952  11.933
  545   1HD   PRO  69          2HD       PRO  69   9.413  -4.657  11.475
  546   2HD   PRO  69          3HD       PRO  69  10.107  -3.201  12.212
  547    H    THR  70           HN       THR  70   9.608  -4.489   7.906
  548    HA   THR  70           HA       THR  70  10.594  -3.300   5.423
  549    HB   THR  70           HB       THR  70  10.479  -5.573   4.322
  550    HG1  THR  70           1HG      THR  70  10.935  -6.665   6.884
  551   1HG2  THR  70          1HG2      THR  70  12.599  -4.998   6.384
  552   2HG2  THR  70          2HG2      THR  70  12.612  -4.567   4.673
  553   3HG2  THR  70          3HG2      THR  70  12.740  -6.259   5.160
  554    H    PHE  71           HN       PHE  71   8.895  -5.709   4.288
  555    HA   PHE  71           HA       PHE  71   6.282  -4.400   4.596
  556   1HB   PHE  71          2HB       PHE  71   7.618  -5.026   1.946
  557   2HB   PHE  71          3HB       PHE  71   6.073  -4.222   2.169
  558    HD1  PHE  71           1HD      PHE  71   9.720  -3.850   2.441
  559    HD2  PHE  71           2HD      PHE  71   5.958  -1.878   2.682
  560    HE1  PHE  71           1HE      PHE  71  10.856  -1.676   2.391
  561    HE2  PHE  71           2HE      PHE  71   7.095   0.304   2.644
  562    HZ   PHE  71           HZ       PHE  71   9.540   0.399   2.469
  563    HA   PRO  72           HA       PRO  72   4.925  -5.030   1.821
  564   1HB   PRO  72          2HB       PRO  72   2.322  -5.808   1.930
  565   2HB   PRO  72          3HB       PRO  72   3.514  -6.535   0.825
  566   1HG   PRO  72          2HG       PRO  72   2.536  -7.514   3.497
  567   2HG   PRO  72          3HG       PRO  72   2.776  -8.422   1.991
  568   1HD   PRO  72          2HD       PRO  72   4.576  -8.501   3.977
  569   2HD   PRO  72          3HD       PRO  72   5.072  -8.524   2.273
  570    H    GLN  73           HN       GLN  73   3.108  -3.481   2.014
  571    HA   GLN  73           HA       GLN  73   1.826  -3.135   4.507
  572   1HB   GLN  73          2HB       GLN  73   2.718  -0.964   5.106
  573   2HB   GLN  73          3HB       GLN  73   3.958  -2.178   5.157
  574   1HG   GLN  73          2HG       GLN  73   4.794  -1.421   3.002
  575   2HG   GLN  73          3HG       GLN  73   3.564  -0.153   3.002
  576   1HE2  GLN  73          1HE2      GLN  73   4.727  -0.884   6.095
  577   2HE2  GLN  73          2HE2      GLN  73   5.828   0.434   6.260
  578    H    LEU  74           HN       LEU  74   0.026  -2.140   4.238
  579    HA   LEU  74           HA       LEU  74  -0.606  -1.003   1.624
  580   1HB   LEU  74          2HB       LEU  74  -1.958  -2.854   2.530
  581   2HB   LEU  74          3HB       LEU  74  -2.382  -1.871   3.910
  582    HG   LEU  74           HG       LEU  74  -4.183  -2.119   2.194
  583   1HD1  LEU  74          1HD1      LEU  74  -5.018  -0.227   2.973
  584   2HD1  LEU  74          2HD1      LEU  74  -3.419   0.196   3.582
  585   3HD1  LEU  74          3HD1      LEU  74  -3.919   0.722   1.973
  586   1HD2  LEU  74          1HD2      LEU  74  -2.326  -0.444   0.524
  587   2HD2  LEU  74          2HD2      LEU  74  -2.811  -2.111   0.211
  588   3HD2  LEU  74          3HD2      LEU  74  -4.006  -0.815   0.134
  589    H    TRP  75           HN       TRP  75  -1.220   1.084   1.349
  590    HA   TRP  75           HA       TRP  75  -1.387   2.767   3.760
  591   1HB   TRP  75          2HB       TRP  75  -0.028   3.450   1.157
  592   2HB   TRP  75          3HB       TRP  75  -0.303   4.578   2.474
  593    HD1  TRP  75           1HD      TRP  75   1.630   1.262   1.865
  594    HE1  TRP  75           1HE      TRP  75   3.691   1.277   3.420
  595    HE3  TRP  75           3HE      TRP  75   0.673   5.573   4.365
  596    HZ2  TRP  75           2HZ      TRP  75   4.738   2.949   5.464
  597    HZ3  TRP  75           3HZ      TRP  75   2.238   6.313   6.116
  598    HH2  TRP  75           2HH      TRP  75   4.226   5.021   6.647
  599    H    VAL  76           HN       VAL  76  -3.162   3.862   3.906
  600    HA   VAL  76           HA       VAL  76  -4.848   4.279   1.515
  601    HB   VAL  76           HB       VAL  76  -5.613   4.343   4.453
  602   1HG1  VAL  76          1HG1      VAL  76  -7.956   4.123   3.246
  603   2HG1  VAL  76          2HG1      VAL  76  -7.206   5.686   3.585
  604   3HG1  VAL  76          3HG1      VAL  76  -7.089   4.986   1.972
  605   1HG2  VAL  76          1HG2      VAL  76  -6.670   2.253   4.161
  606   2HG2  VAL  76          2HG2      VAL  76  -6.422   2.288   2.417
  607   3HG2  VAL  76          3HG2      VAL  76  -5.045   2.088   3.499
  608    H    ASP  77           HN       ASP  77  -4.769   6.339   0.746
  609    HA   ASP  77           HA       ASP  77  -4.435   8.602   0.613
  610   1HB   ASP  77          2HB       ASP  77  -6.430   8.593   2.025
  611   2HB   ASP  77          3HB       ASP  77  -5.402   8.423   3.442
  612    H    GLY  78           HN       GLY  78  -2.344   6.849   1.537
  613   1HA   GLY  78          1HA       GLY  78  -0.081   7.141   1.953
  614   2HA   GLY  78          2HA       GLY  78  -0.406   8.833   2.285
  615    H    GLU  79           HN       GLU  79  -2.095   6.247   3.925
  616    HA   GLU  79           HA       GLU  79  -0.476   6.727   6.312
  617   1HB   GLU  79          2HB       GLU  79  -3.477   6.513   6.215
  618   2HB   GLU  79          3HB       GLU  79  -2.536   6.420   7.697
  619   1HG   GLU  79          2HG       GLU  79  -1.632   8.686   7.172
  620   2HG   GLU  79          3HG       GLU  79  -2.780   8.768   5.835
  621    H    LEU  80           HN       LEU  80   0.188   5.006   7.404
  622    HA   LEU  80           HA       LEU  80   0.201   2.521   6.162
  623   1HB   LEU  80          2HB       LEU  80   1.996   3.234   7.597
  624   2HB   LEU  80          3HB       LEU  80   0.917   3.319   8.982
  625    HG   LEU  80           HG       LEU  80   0.573   0.808   8.644
  626   1HD1  LEU  80          1HD1      LEU  80   1.455   0.002   6.756
  627   2HD1  LEU  80          2HD1      LEU  80   2.600   1.342   6.600
  628   3HD1  LEU  80          3HD1      LEU  80   2.964  -0.010   7.683
  629   1HD2  LEU  80          1HD2      LEU  80   2.930   2.219   9.748
  630   2HD2  LEU  80          2HD2      LEU  80   1.714   1.234  10.557
  631   3HD2  LEU  80          3HD2      LEU  80   3.014   0.459   9.648
  632    H    VAL  81           HN       VAL  81  -0.911   0.715   6.362
  633    HA   VAL  81           HA       VAL  81  -2.961   0.518   8.462
  634    HB   VAL  81           HB       VAL  81  -3.196  -0.392   5.580
  635   1HG1  VAL  81          1HG1      VAL  81  -4.919  -0.919   7.973
  636   2HG1  VAL  81          2HG1      VAL  81  -5.606  -0.894   6.348
  637   3HG1  VAL  81          3HG1      VAL  81  -4.335  -2.049   6.751
  638   1HG2  VAL  81          1HG2      VAL  81  -3.616   1.921   5.637
  639   2HG2  VAL  81          2HG2      VAL  81  -5.208   1.158   5.654
  640   3HG2  VAL  81          3HG2      VAL  81  -4.522   1.801   7.146
  641    H    GLY  82           HN       GLY  82  -1.086  -1.308   6.070
  642   1HA   GLY  82          1HA       GLY  82   0.522  -2.936   7.195
  643   2HA   GLY  82          2HA       GLY  82  -0.926  -3.622   7.910
  644    H    GLY  83           HN       GLY  83   1.174  -4.500   5.847
  645   1HA   GLY  83          1HA       GLY  83  -0.248  -4.514   3.390
  646   2HA   GLY  83          2HA       GLY  83   1.320  -5.227   3.679
  647    H    CYS  84           HN       CYS  84   1.059  -7.353   5.141
  648    HA   CYS  84           HA       CYS  84  -0.285  -9.013   3.272
  649   1HB   CYS  84          2HB       CYS  84   0.687 -10.894   4.601
  650   2HB   CYS  84          3HB       CYS  84   1.853  -9.703   4.045
  651    HG   CYS  84           HG       CYS  84   2.944  -9.463   6.343
  652    H    ASP  85           HN       ASP  85  -0.531  -9.199   6.802
  653    HA   ASP  85           HA       ASP  85  -2.931 -10.755   6.700
  654   1HB   ASP  85          2HB       ASP  85  -1.133 -10.926   8.446
  655   2HB   ASP  85          3HB       ASP  85  -1.633  -9.356   9.055
  656    H    ILE  86           HN       ILE  86  -2.148  -7.481   7.637
  657    HA   ILE  86           HA       ILE  86  -4.539  -6.702   8.711
  658    HB   ILE  86           HB       ILE  86  -2.606  -4.979   7.146
  659   1HG1  ILE  86          2HG1      ILE  86  -1.518  -6.217   8.968
  660   2HG1  ILE  86          3HG1      ILE  86  -1.606  -4.498   9.337
  661   1HG2  ILE  86          1HG2      ILE  86  -3.538  -3.113   8.286
  662   2HG2  ILE  86          2HG2      ILE  86  -4.886  -4.017   7.600
  663   3HG2  ILE  86          3HG2      ILE  86  -4.522  -4.150   9.319
  664   1HD1  ILE  86          1HD1      ILE  86  -2.206  -6.366  11.107
  665   2HD1  ILE  86          2HD1      ILE  86  -3.028  -4.806  11.069
  666   3HD1  ILE  86          3HD1      ILE  86  -3.788  -6.222  10.344
  667    H    VAL  87           HN       VAL  87  -3.549  -6.437   5.296
  668    HA   VAL  87           HA       VAL  87  -5.798  -5.077   4.373
  669    HB   VAL  87           HB       VAL  87  -4.035  -7.039   2.901
  670   1HG1  VAL  87          1HG1      VAL  87  -4.922  -5.848   0.855
  671   2HG1  VAL  87          2HG1      VAL  87  -6.060  -6.935   1.650
  672   3HG1  VAL  87          3HG1      VAL  87  -6.191  -5.193   1.889
  673   1HG2  VAL  87          1HG2      VAL  87  -2.598  -5.358   2.646
  674   2HG2  VAL  87          2HG2      VAL  87  -3.881  -4.248   2.166
  675   3HG2  VAL  87          3HG2      VAL  87  -3.522  -4.493   3.874
  676    H    ILE  88           HN       ILE  88  -5.244  -8.615   4.497
  677    HA   ILE  88           HA       ILE  88  -7.714  -9.313   3.369
  678    HB   ILE  88           HB       ILE  88  -5.993 -10.869   5.295
  679   1HG1  ILE  88          2HG1      ILE  88  -4.991 -10.383   3.096
  680   2HG1  ILE  88          3HG1      ILE  88  -5.327 -12.102   3.289
  681   1HG2  ILE  88          1HG2      ILE  88  -8.431 -11.517   5.326
  682   2HG2  ILE  88          2HG2      ILE  88  -8.255 -11.961   3.627
  683   3HG2  ILE  88          3HG2      ILE  88  -7.310 -12.799   4.861
  684   1HD1  ILE  88          1HD1      ILE  88  -6.374 -10.195   1.358
  685   2HD1  ILE  88          2HD1      ILE  88  -6.282 -11.956   1.286
  686   3HD1  ILE  88          3HD1      ILE  88  -7.626 -11.177   2.124
  687    H    GLU  89           HN       GLU  89  -6.785  -9.066   6.820
  688    HA   GLU  89           HA       GLU  89  -9.329  -9.788   7.756
  689   1HB   GLU  89          2HB       GLU  89  -7.407  -9.754   9.244
  690   2HB   GLU  89          3HB       GLU  89  -7.301  -8.003   9.099
  691   1HG   GLU  89          2HG       GLU  89  -9.466  -7.750  10.168
  692   2HG   GLU  89          3HG       GLU  89  -9.646  -9.502  10.251
  693    H    MET  90           HN       MET  90  -7.975  -6.505   7.310
  694    HA   MET  90           HA       MET  90 -10.349  -5.186   8.037
  695   1HB   MET  90          2HB       MET  90  -8.018  -4.251   6.381
  696   2HB   MET  90          3HB       MET  90  -9.356  -3.201   6.834
  697   1HG   MET  90          2HG       MET  90  -8.888  -3.800   9.224
  698   2HG   MET  90          3HG       MET  90  -7.425  -4.601   8.657
  699   1HE   MET  90          1HE       MET  90  -7.454  -2.298  10.881
  700   2HE   MET  90          2HE       MET  90  -6.011  -3.148  10.326
  701   3HE   MET  90          3HE       MET  90  -6.032  -1.385  10.370
  702    H    TYR  91           HN       TYR  91  -9.336  -6.580   5.038
  703    HA   TYR  91           HA       TYR  91 -11.301  -5.515   3.311
  704   1HB   TYR  91          2HB       TYR  91  -9.623  -6.702   2.243
  705   2HB   TYR  91          3HB       TYR  91  -9.628  -7.986   3.441
  706    HD1  TYR  91           1HD      TYR  91 -11.923  -6.591   0.791
  707    HD2  TYR  91           2HD      TYR  91 -10.402  -9.993   2.825
  708    HE1  TYR  91           1HE      TYR  91 -13.199  -8.053  -0.711
  709    HE2  TYR  91           2HE      TYR  91 -11.649 -11.466   1.336
  710    HH   TYR  91           HH       TYR  91 -12.608 -11.065  -1.279
  711    H    GLN  92           HN       GLN  92 -11.238  -8.468   5.275
  712    HA   GLN  92           HA       GLN  92 -13.903  -9.224   4.722
  713   1HB   GLN  92          2HB       GLN  92 -12.199  -9.921   7.121
  714   2HB   GLN  92          3HB       GLN  92 -13.670 -10.752   6.634
  715   1HG   GLN  92          2HG       GLN  92 -12.580 -11.396   4.526
  716   2HG   GLN  92          3HG       GLN  92 -11.101 -10.610   5.067
  717   1HE2  GLN  92          1HE2      GLN  92 -12.421 -13.488   4.653
  718   2HE2  GLN  92          2HE2      GLN  92 -11.654 -14.380   5.926
  719    H    ARG  93           HN       ARG  93 -12.407  -7.312   7.268
  720    HA   ARG  93           HA       ARG  93 -14.610  -6.895   8.958
  721   1HB   ARG  93          2HB       ARG  93 -12.350  -4.992   8.295
  722   2HB   ARG  93          3HB       ARG  93 -13.434  -4.845   9.664
  723   1HG   ARG  93          2HG       ARG  93 -11.525  -7.115   9.202
  724   2HG   ARG  93          3HG       ARG  93 -11.244  -5.744  10.279
  725   1HD   ARG  93          2HD       ARG  93 -13.449  -7.788  10.532
  726   2HD   ARG  93          3HD       ARG  93 -12.003  -7.691  11.533
  727    HE   ARG  93           HE       ARG  93 -14.394  -6.235  11.890
  728   1HH1  ARG  93          2HH1      ARG  93 -10.916  -5.919  12.187
  729   2HH1  ARG  93          1HH1      ARG  93 -10.986  -4.544  13.243
  730   1HH2  ARG  93          2HH2      ARG  93 -14.501  -4.417  13.290
  731   2HH2  ARG  93          1HH2      ARG  93 -13.037  -3.693  13.867
  732    H    GLY  94           HN       GLY  94 -13.651  -5.432   5.950
  733   1HA   GLY  94          1HA       GLY  94 -15.098  -4.279   4.468
  734   2HA   GLY  94          2HA       GLY  94 -16.172  -3.945   5.818
  735    H    GLU  95           HN       GLU  95 -13.812  -3.181   7.497
  736    HA   GLU  95           HA       GLU  95 -13.936  -0.435   7.243
  737   1HB   GLU  95          2HB       GLU  95 -11.689  -2.081   8.406
  738   2HB   GLU  95          3HB       GLU  95 -11.906  -0.357   8.655
  739   1HG   GLU  95          2HG       GLU  95 -14.055  -0.803   9.755
  740   2HG   GLU  95          3HG       GLU  95 -13.786  -2.533   9.539
  741    H    LEU  96           HN       LEU  96 -11.661  -2.648   5.746
  742    HA   LEU  96           HA       LEU  96  -9.728  -0.821   4.900
  743   1HB   LEU  96          2HB       LEU  96  -9.412  -3.250   4.816
  744   2HB   LEU  96          3HB       LEU  96 -10.609  -3.368   3.542
  745    HG   LEU  96           HG       LEU  96  -9.141  -2.011   2.075
  746   1HD1  LEU  96          1HD1      LEU  96  -6.813  -2.455   3.835
  747   2HD1  LEU  96          2HD1      LEU  96  -7.154  -1.146   2.704
  748   3HD1  LEU  96          3HD1      LEU  96  -7.916  -1.158   4.293
  749   1HD2  LEU  96          1HD2      LEU  96  -8.913  -4.232   1.580
  750   2HD2  LEU  96          2HD2      LEU  96  -7.258  -3.849   2.053
  751   3HD2  LEU  96          3HD2      LEU  96  -8.339  -4.647   3.195
  752    H    GLN  97           HN       GLN  97 -12.425  -2.155   3.089
  753    HA   GLN  97           HA       GLN  97 -12.179  -0.388   0.888
  754   1HB   GLN  97          2HB       GLN  97 -14.578  -1.127   0.420
  755   2HB   GLN  97          3HB       GLN  97 -13.309  -2.325   0.340
  756   1HG   GLN  97          2HG       GLN  97 -13.933  -3.048   2.636
  757   2HG   GLN  97          3HG       GLN  97 -15.273  -1.904   2.574
  758   1HE2  GLN  97          1HE2      GLN  97 -14.477  -5.050   2.182
  759   2HE2  GLN  97          2HE2      GLN  97 -15.744  -5.552   1.115
  760    H    GLN  98           HN       GLN  98 -13.641  -0.113   3.980
  761    HA   GLN  98           HA       GLN  98 -15.385   2.066   3.401
  762   1HB   GLN  98          2HB       GLN  98 -14.064   1.166   5.965
  763   2HB   GLN  98          3HB       GLN  98 -15.204   2.486   5.884
  764   1HG   GLN  98          2HG       GLN  98 -15.734  -0.397   5.241
  765   2HG   GLN  98          3HG       GLN  98 -16.317   0.500   6.640
  766   1HE2  GLN  98          1HE2      GLN  98 -17.340  -0.816   3.916
  767   2HE2  GLN  98          2HE2      GLN  98 -18.616   0.275   3.486
  768    H    LEU  99           HN       LEU  99 -12.066   1.753   4.533
  769    HA   LEU  99           HA       LEU  99 -11.511   4.546   4.681
  770   1HB   LEU  99          2HB       LEU  99  -9.539   2.301   4.247
  771   2HB   LEU  99          3HB       LEU  99  -9.210   3.881   4.929
  772    HG   LEU  99           HG       LEU  99 -10.851   1.694   6.207
  773   1HD1  LEU  99          1HD1      LEU  99  -9.055   1.368   7.691
  774   2HD1  LEU  99          2HD1      LEU  99  -8.326   1.437   6.085
  775   3HD1  LEU  99          3HD1      LEU  99  -8.233   2.836   7.157
  776   1HD2  LEU  99          1HD2      LEU  99 -10.798   3.201   8.196
  777   2HD2  LEU  99          2HD2      LEU  99 -10.145   4.473   7.164
  778   3HD2  LEU  99          3HD2      LEU  99 -11.756   3.824   6.852
  779    H    ILE 100           HN       ILE 100 -10.847   2.001   2.307
  780    HA   ILE 100           HA       ILE 100  -9.454   3.616   0.477
  781    HB   ILE 100           HB       ILE 100 -11.103   1.157  -0.176
  782   1HG1  ILE 100          2HG1      ILE 100  -9.400   0.703   1.566
  783   2HG1  ILE 100          3HG1      ILE 100  -9.027  -0.112   0.053
  784   1HG2  ILE 100          1HG2      ILE 100  -8.752   1.520  -1.777
  785   2HG2  ILE 100          2HG2      ILE 100 -10.437   1.397  -2.282
  786   3HG2  ILE 100          3HG2      ILE 100  -9.759   2.970  -1.853
  787   1HD1  ILE 100          1HD1      ILE 100  -6.983   0.725   0.267
  788   2HD1  ILE 100          2HD1      ILE 100  -7.685   2.289  -0.150
  789   3HD1  ILE 100          3HD1      ILE 100  -7.494   1.834   1.542
  790    H    LYS 101           HN       LYS 101 -12.899   2.843   0.775
  791    HA   LYS 101           HA       LYS 101 -13.963   4.022  -1.489
  792   1HB   LYS 101          2HB       LYS 101 -15.311   2.793   0.126
  793   2HB   LYS 101          3HB       LYS 101 -15.009   4.021   1.349
  794   1HG   LYS 101          2HG       LYS 101 -16.094   5.614  -0.383
  795   2HG   LYS 101          3HG       LYS 101 -16.763   4.132  -1.048
  796   1HD   LYS 101          2HD       LYS 101 -17.096   5.140   1.776
  797   2HD   LYS 101          3HD       LYS 101 -18.329   5.128   0.518
  798   1HE   LYS 101          2HE       LYS 101 -18.293   2.700   0.478
  799   2HE   LYS 101          3HE       LYS 101 -17.007   2.683   1.686
  800   1HZ   LYS 101          1HZ       LYS 101 -19.382   2.316   2.483
  801   2HZ   LYS 101          2HZ       LYS 101 -19.614   3.979   2.226
  802   3HZ   LYS 101          3HZ       LYS 101 -18.446   3.448   3.335
  803    H    GLU 102           HN       GLU 102 -13.627   5.513   1.697
  804    HA   GLU 102           HA       GLU 102 -14.473   8.053   0.938
  805   1HB   GLU 102          2HB       GLU 102 -14.376   7.184   3.258
  806   2HB   GLU 102          3HB       GLU 102 -12.625   7.317   3.213
  807   1HG   GLU 102          2HG       GLU 102 -12.815   9.734   2.923
  808   2HG   GLU 102          3HG       GLU 102 -14.573   9.598   2.974
  809    H    THR 103           HN       THR 103 -11.244   6.698   1.204
  810    HA   THR 103           HA       THR 103  -9.829   9.071   0.594
  811    HB   THR 103           HB       THR 103  -8.981   6.195   0.320
  812    HG1  THR 103           1HG      THR 103  -9.384   6.445   2.436
  813   1HG2  THR 103          1HG2      THR 103  -6.709   7.109   0.573
  814   2HG2  THR 103          2HG2      THR 103  -7.381   8.740   0.492
  815   3HG2  THR 103          3HG2      THR 103  -7.504   7.663  -0.900
  816    H    ALA 104           HN       ALA 104 -10.717   6.245  -1.385
  817    HA   ALA 104           HA       ALA 104  -9.516   7.128  -3.754
  818   1HB   ALA 104          1HB       ALA 104 -11.667   5.670  -4.619
  819   2HB   ALA 104          2HB       ALA 104 -10.102   5.010  -4.142
  820   3HB   ALA 104          3HB       ALA 104 -11.427   5.064  -2.980
  821    H    ALA 105           HN       ALA 105 -12.830   7.550  -2.524
  822    HA   ALA 105           HA       ALA 105 -13.892   8.874  -4.730
  823   1HB   ALA 105          1HB       ALA 105 -15.013   7.979  -2.541
  824   2HB   ALA 105          2HB       ALA 105 -14.779   9.640  -1.988
  825   3HB   ALA 105          3HB       ALA 105 -15.735   9.320  -3.437
  826    H    LYS 106           HN       LYS 106 -12.101  10.204  -1.959
  827    HA   LYS 106           HA       LYS 106 -12.508  12.866  -2.892
  828   1HB   LYS 106          2HB       LYS 106 -10.977  13.602  -1.154
  829   2HB   LYS 106          3HB       LYS 106 -12.218  12.537  -0.528
  830   1HG   LYS 106          2HG       LYS 106 -10.326  11.858   0.591
  831   2HG   LYS 106          3HG       LYS 106 -10.436  10.701  -0.732
  832   1HD   LYS 106          2HD       LYS 106  -8.142  11.470  -0.422
  833   2HD   LYS 106          3HD       LYS 106  -8.771  11.968  -1.992
  834   1HE   LYS 106          2HE       LYS 106  -7.529  13.785  -0.966
  835   2HE   LYS 106          3HE       LYS 106  -9.237  14.205  -1.079
  836   1HZ   LYS 106          1HZ       LYS 106  -7.750  13.344   1.345
  837   2HZ   LYS 106          2HZ       LYS 106  -9.439  13.487   1.291
  838   3HZ   LYS 106          3HZ       LYS 106  -8.466  14.853   1.057
  839    H    TYR 107           HN       TYR 107 -10.177  10.396  -3.614
  840    HA   TYR 107           HA       TYR 107  -8.387  12.317  -4.841
  841   1HB   TYR 107          2HB       TYR 107  -8.280   9.336  -4.586
  842   2HB   TYR 107          3HB       TYR 107  -7.214  10.187  -5.697
  843    HD1  TYR 107           1HD      TYR 107  -7.743   9.185  -2.254
  844    HD2  TYR 107           2HD      TYR 107  -5.701  11.967  -4.763
  845    HE1  TYR 107           1HE      TYR 107  -6.183   9.651  -0.459
  846    HE2  TYR 107           2HE      TYR 107  -4.115  12.435  -2.953
  847    HH   TYR 107           HH       TYR 107  -4.585  11.163   0.273
  848    H    LYS 108           HN       LYS 108 -10.597   9.760  -6.058
  849    HA   LYS 108           HA       LYS 108 -10.248  10.775  -8.771
  850   1HB   LYS 108          2HB       LYS 108 -11.834   8.500  -7.643
  851   2HB   LYS 108          3HB       LYS 108 -12.159   9.095  -9.252
  852   1HG   LYS 108          2HG       LYS 108 -10.763   7.213  -9.479
  853   2HG   LYS 108          3HG       LYS 108  -9.773   8.627  -9.828
  854   1HD   LYS 108          2HD       LYS 108  -8.605   6.967  -8.439
  855   2HD   LYS 108          3HD       LYS 108  -8.793   8.520  -7.617
  856   1HE   LYS 108          2HE       LYS 108  -9.294   6.670  -6.118
  857   2HE   LYS 108          3HE       LYS 108 -10.709   7.677  -6.419
  858   1HZ   LYS 108          1HZ       LYS 108 -10.851   5.067  -6.508
  859   2HZ   LYS 108          2HZ       LYS 108 -10.329   5.296  -8.100
  860   3HZ   LYS 108          3HZ       LYS 108 -11.760   6.023  -7.564
  861    H    SER 109           HN       SER 109 -13.007  10.382  -9.486
  862    HA   SER 109           HA       SER 109 -14.192  12.861  -8.590
  863   1HB   SER 109          2HB       SER 109 -15.348  10.624 -10.276
  864   2HB   SER 109          3HB       SER 109 -16.041  12.233 -10.066
  865    HG   SER 109           HG       SER 109 -14.881  12.177 -11.993
  866    H    GLU 110           HN       GLU 110 -16.872  11.750  -8.485
  867    HA   GLU 110           HA       GLU 110 -16.916  10.866  -5.750
  868   1HB   GLU 110          2HB       GLU 110 -19.385  10.721  -6.117
  869   2HB   GLU 110          3HB       GLU 110 -18.683  12.301  -6.432
  870   1HG   GLU 110          2HG       GLU 110 -18.687  11.769  -8.847
  871   2HG   GLU 110          3HG       GLU 110 -19.507  10.252  -8.471
  872    H    GLU 111           HN       GLU 111 -15.394   9.090  -7.069
  873    HA   GLU 111           HA       GLU 111 -16.845   6.749  -7.902
  874   1HB   GLU 111          2HB       GLU 111 -13.924   7.126  -7.166
  875   2HB   GLU 111          3HB       GLU 111 -14.582   5.700  -7.985
  876   1HG   GLU 111          2HG       GLU 111 -14.433   8.527  -9.039
  877   2HG   GLU 111          3HG       GLU 111 -13.525   7.123  -9.598
  878    HA   PRO 112           HA       PRO 112 -17.147   5.465  -3.591
  879   1HB   PRO 112          2HB       PRO 112 -19.433   3.942  -4.107
  880   2HB   PRO 112          3HB       PRO 112 -19.407   5.621  -3.570
  881   1HG   PRO 112          2HG       PRO 112 -20.309   4.656  -6.072
  882   2HG   PRO 112          3HG       PRO 112 -20.070   6.348  -5.608
  883   1HD   PRO 112          2HD       PRO 112 -18.282   4.537  -7.158
  884   2HD   PRO 112          3HD       PRO 112 -18.502   6.297  -7.290
  885    H    ASP 113           HN       ASP 113 -15.835   3.863  -2.927
  886    HA   ASP 113           HA       ASP 113 -15.393   1.562  -4.605
  887   1HB   ASP 113          2HB       ASP 113 -14.239   2.337  -1.929
  888   2HB   ASP 113          3HB       ASP 113 -13.771   0.891  -2.818
  889    H    ALA 114           HN       ALA 114 -15.961   1.678  -1.114
  890    HA   ALA 114           HA       ALA 114 -17.198  -0.931  -1.152
  891   1HB   ALA 114          1HB       ALA 114 -17.242   0.834   1.245
  892   2HB   ALA 114          2HB       ALA 114 -16.997  -0.913   1.141
  893   3HB   ALA 114          3HB       ALA 114 -15.694   0.189   0.685
  894    H    GLU 115           HN       GLU 115 -18.739   0.657  -2.734
  895    HA   GLU 115           HA       GLU 115 -21.229   0.923  -1.256
  896   1HB   GLU 115          2HB       GLU 115 -19.919   2.986  -0.796
  897   2HB   GLU 115          3HB       GLU 115 -19.815   3.284  -2.526
  898   1HG   GLU 115          2HG       GLU 115 -21.500   4.700  -1.642
  899   2HG   GLU 115          3HG       GLU 115 -22.293   3.447  -2.591
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  24.318  12.825   2.866
    2   2H    MET   1          2H        MET   1  23.203  14.013   2.407
    3   3H    MET   1          3H        MET   1  22.666  12.453   2.789
    4    HA   MET   1           HA       MET   1  23.014  12.701   5.034
    5   1HB   MET   1          2HB       MET   1  24.730  15.082   4.298
    6   2HB   MET   1          3HB       MET   1  24.329  14.630   5.946
    7   1HG   MET   1          2HG       MET   1  26.536  13.865   5.440
    8   2HG   MET   1          3HG       MET   1  25.473  12.471   5.598
    9   1HE   MET   1          1HE       MET   1  28.534  12.106   3.301
   10   2HE   MET   1          2HE       MET   1  27.809  11.791   4.879
   11   3HE   MET   1          3HE       MET   1  27.469  10.716   3.521
   12    H    SER   2           HN       SER   2  20.826  13.377   3.533
   13    HA   SER   2           HA       SER   2  19.510  15.177   5.255
   14   1HB   SER   2          2HB       SER   2  18.947  16.962   3.600
   15   2HB   SER   2          3HB       SER   2  20.650  16.940   4.056
   16    HG   SER   2           HG       SER   2  21.134  15.929   2.106
   17    H    THR   3           HN       THR   3  19.454  13.873   1.944
   18    HA   THR   3           HA       THR   3  16.626  13.774   1.817
   19    HB   THR   3           HB       THR   3  18.011  13.826  -0.222
   20    HG1  THR   3           1HG      THR   3  15.902  12.980  -0.355
   21   1HG2  THR   3          1HG2      THR   3  19.162  11.843  -1.017
   22   2HG2  THR   3          2HG2      THR   3  18.713  10.966   0.449
   23   3HG2  THR   3          3HG2      THR   3  19.824  12.335   0.544
   24    H    THR   4           HN       THR   4  15.216  12.117   2.195
   25    HA   THR   4           HA       THR   4  16.095   9.529   3.103
   26    HB   THR   4           HB       THR   4  16.570  10.858   5.082
   27    HG1  THR   4           1HG      THR   4  15.847   8.874   5.648
   28   1HG2  THR   4          1HG2      THR   4  13.895  11.577   5.878
   29   2HG2  THR   4          2HG2      THR   4  14.326  12.352   4.354
   30   3HG2  THR   4          3HG2      THR   4  15.344  12.575   5.777
   31    H    ILE   5           HN       ILE   5  13.398   9.765   4.809
   32    HA   ILE   5           HA       ILE   5  11.742   8.370   3.076
   33    HB   ILE   5           HB       ILE   5  10.870  10.129   5.367
   34   1HG1  ILE   5          2HG1      ILE   5  12.258   8.397   6.250
   35   2HG1  ILE   5          3HG1      ILE   5  10.580   7.952   6.551
   36   1HG2  ILE   5          1HG2      ILE   5   8.949   8.363   5.293
   37   2HG2  ILE   5          2HG2      ILE   5   8.907   9.811   4.283
   38   3HG2  ILE   5          3HG2      ILE   5   9.408   8.268   3.590
   39   1HD1  ILE   5          1HD1      ILE   5  10.923   6.638   4.304
   40   2HD1  ILE   5          2HD1      ILE   5  12.603   6.665   4.843
   41   3HD1  ILE   5          3HD1      ILE   5  11.354   5.973   5.887
   42    H    GLU   6           HN       GLU   6  12.137  11.822   3.433
   43    HA   GLU   6           HA       GLU   6   9.900  12.991   2.630
   44   1HB   GLU   6          2HB       GLU   6  11.260  14.747   1.515
   45   2HB   GLU   6          3HB       GLU   6  11.899  14.266   3.082
   46   1HG   GLU   6          2HG       GLU   6  13.585  12.906   2.024
   47   2HG   GLU   6          3HG       GLU   6  12.903  13.246   0.437
   48    H    LYS   7           HN       LYS   7  12.204  11.646   0.258
   49    HA   LYS   7           HA       LYS   7  10.730  12.304  -2.055
   50   1HB   LYS   7          2HB       LYS   7  12.647  10.005  -1.622
   51   2HB   LYS   7          3HB       LYS   7  12.117  10.614  -3.181
   52   1HG   LYS   7          2HG       LYS   7  13.743  12.139  -1.156
   53   2HG   LYS   7          3HG       LYS   7  14.356  11.387  -2.628
   54   1HD   LYS   7          2HD       LYS   7  12.904  12.857  -3.962
   55   2HD   LYS   7          3HD       LYS   7  12.344  13.631  -2.478
   56   1HE   LYS   7          2HE       LYS   7  14.632  14.348  -1.992
   57   2HE   LYS   7          3HE       LYS   7  15.194  13.561  -3.466
   58   1HZ   LYS   7          1HZ       LYS   7  13.423  15.090  -4.566
   59   2HZ   LYS   7          2HZ       LYS   7  14.945  15.717  -4.156
   60   3HZ   LYS   7          3HZ       LYS   7  13.606  16.012  -3.152
   61    H    ILE   8           HN       ILE   8  10.842   9.441  -0.033
   62    HA   ILE   8           HA       ILE   8   9.101   7.839  -1.542
   63    HB   ILE   8           HB       ILE   8   9.755   7.735   1.400
   64   1HG1  ILE   8          2HG1      ILE   8  10.935   6.252  -0.961
   65   2HG1  ILE   8          3HG1      ILE   8  11.706   7.590  -0.118
   66   1HG2  ILE   8          1HG2      ILE   8   7.673   6.526   0.685
   67   2HG2  ILE   8          2HG2      ILE   8   8.699   5.519  -0.341
   68   3HG2  ILE   8          3HG2      ILE   8   8.924   5.515   1.409
   69   1HD1  ILE   8          1HD1      ILE   8  11.072   5.723   1.856
   70   2HD1  ILE   8          2HD1      ILE   8  11.713   4.795   0.498
   71   3HD1  ILE   8          3HD1      ILE   8  12.665   6.104   1.199
   72    H    GLN   9           HN       GLN   9   8.486   9.822   1.389
   73    HA   GLN   9           HA       GLN   9   5.768   9.252   1.598
   74   1HB   GLN   9          2HB       GLN   9   7.292  11.716   2.396
   75   2HB   GLN   9          3HB       GLN   9   5.561  11.585   2.652
   76   1HG   GLN   9          2HG       GLN   9   5.958   9.577   4.028
   77   2HG   GLN   9          3HG       GLN   9   7.692   9.819   3.826
   78   1HE2  GLN   9          1HE2      GLN   9   8.643  10.868   5.427
   79   2HE2  GLN   9          2HE2      GLN   9   7.899  12.036   6.469
   80    H    ARG  10           HN       ARG  10   7.363  11.713  -0.374
   81    HA   ARG  10           HA       ARG  10   4.992  12.973  -1.221
   82   1HB   ARG  10          2HB       ARG  10   7.626  12.702  -2.671
   83   2HB   ARG  10          3HB       ARG  10   6.311  13.748  -3.181
   84   1HG   ARG  10          2HG       ARG  10   7.895  13.974  -0.627
   85   2HG   ARG  10          3HG       ARG  10   8.005  15.030  -2.034
   86   1HD   ARG  10          2HD       ARG  10   6.688  16.182  -0.442
   87   2HD   ARG  10          3HD       ARG  10   5.568  15.580  -1.659
   88    HE   ARG  10           HE       ARG  10   5.781  13.729   0.466
   89   1HH1  ARG  10          2HH1      ARG  10   4.342  16.808  -0.361
   90   2HH1  ARG  10          1HH1      ARG  10   3.114  16.710   0.863
   91   1HH2  ARG  10          2HH2      ARG  10   4.157  13.601   2.101
   92   2HH2  ARG  10          1HH2      ARG  10   3.034  14.911   2.273
   93    H    GLN  11           HN       GLN  11   6.632  10.079  -2.237
   94    HA   GLN  11           HA       GLN  11   4.970   9.614  -4.542
   95   1HB   GLN  11          2HB       GLN  11   7.200   8.601  -4.400
   96   2HB   GLN  11          3HB       GLN  11   6.708   7.698  -2.972
   97   1HG   GLN  11          2HG       GLN  11   5.053   6.492  -4.295
   98   2HG   GLN  11          3HG       GLN  11   5.522   7.409  -5.724
   99   1HE2  GLN  11          1HE2      GLN  11   8.282   6.949  -4.023
  100   2HE2  GLN  11          2HE2      GLN  11   8.853   5.499  -4.781
  101    H    ILE  12           HN       ILE  12   5.016   8.521  -1.160
  102    HA   ILE  12           HA       ILE  12   2.866   6.734  -1.435
  103    HB   ILE  12           HB       ILE  12   3.640   8.223   1.081
  104   1HG1  ILE  12          2HG1      ILE  12   4.637   5.602  -0.056
  105   2HG1  ILE  12          3HG1      ILE  12   5.583   7.050   0.293
  106   1HG2  ILE  12          1HG2      ILE  12   2.380   5.512   0.979
  107   2HG2  ILE  12          2HG2      ILE  12   2.399   6.691   2.293
  108   3HG2  ILE  12          3HG2      ILE  12   1.384   6.969   0.875
  109   1HD1  ILE  12          1HD1      ILE  12   4.438   6.448   2.715
  110   2HD1  ILE  12          2HD1      ILE  12   4.825   4.865   2.032
  111   3HD1  ILE  12          3HD1      ILE  12   6.092   6.082   2.214
  112    H    ALA  13           HN       ALA  13   2.999  10.106  -0.473
  113    HA   ALA  13           HA       ALA  13   0.254  10.426   0.054
  114   1HB   ALA  13          1HB       ALA  13   1.028  12.351   0.827
  115   2HB   ALA  13          2HB       ALA  13   2.581  12.067   0.041
  116   3HB   ALA  13          3HB       ALA  13   1.291  12.899  -0.827
  117    H    GLU  14           HN       GLU  14   2.147  10.902  -2.931
  118    HA   GLU  14           HA       GLU  14   0.059  12.121  -4.378
  119   1HB   GLU  14          2HB       GLU  14   1.300  11.651  -6.412
  120   2HB   GLU  14          3HB       GLU  14   2.378  12.252  -5.162
  121   1HG   GLU  14          2HG       GLU  14   3.221  10.052  -4.753
  122   2HG   GLU  14          3HG       GLU  14   2.024   9.354  -5.841
  123    H    ASN  15           HN       ASN  15   0.903   8.725  -3.909
  124    HA   ASN  15           HA       ASN  15  -1.135   7.847  -5.761
  125   1HB   ASN  15          2HB       ASN  15   0.455   6.333  -3.674
  126   2HB   ASN  15          3HB       ASN  15  -0.661   5.575  -4.806
  127   1HD2  ASN  15          1HD2      ASN  15   2.475   6.050  -4.254
  128   2HD2  ASN  15          2HD2      ASN  15   3.083   6.051  -5.869
  129    HA   PRO  16           HA       PRO  16  -4.420   8.734  -2.891
  130   1HB   PRO  16          2HB       PRO  16  -5.903   6.926  -4.730
  131   2HB   PRO  16          3HB       PRO  16  -6.303   8.571  -4.224
  132   1HG   PRO  16          2HG       PRO  16  -5.386   8.108  -6.670
  133   2HG   PRO  16          3HG       PRO  16  -4.829   9.525  -5.759
  134   1HD   PRO  16          2HD       PRO  16  -3.441   6.917  -6.240
  135   2HD   PRO  16          3HD       PRO  16  -2.782   8.565  -6.259
  136    H    ILE  17           HN       ILE  17  -4.000   5.526  -4.216
  137    HA   ILE  17           HA       ILE  17  -4.547   4.366  -1.574
  138    HB   ILE  17           HB       ILE  17  -5.375   3.158  -4.224
  139   1HG1  ILE  17          2HG1      ILE  17  -6.709   5.178  -3.874
  140   2HG1  ILE  17          3HG1      ILE  17  -7.700   3.743  -3.666
  141   1HG2  ILE  17          1HG2      ILE  17  -6.037   2.418  -1.384
  142   2HG2  ILE  17          2HG2      ILE  17  -6.738   1.665  -2.822
  143   3HG2  ILE  17          3HG2      ILE  17  -5.005   1.525  -2.506
  144   1HD1  ILE  17          1HD1      ILE  17  -6.691   4.460  -1.123
  145   2HD1  ILE  17          2HD1      ILE  17  -7.295   5.935  -1.894
  146   3HD1  ILE  17          3HD1      ILE  17  -8.355   4.529  -1.701
  147    H    LEU  18           HN       LEU  18  -2.801   3.154  -0.977
  148    HA   LEU  18           HA       LEU  18  -0.990   2.370  -3.156
  149   1HB   LEU  18          2HB       LEU  18  -0.607   4.355  -1.244
  150   2HB   LEU  18          3HB       LEU  18   0.395   3.018  -0.717
  151    HG   LEU  18           HG       LEU  18   0.509   4.448  -3.352
  152   1HD1  LEU  18          1HD1      LEU  18   2.285   4.320  -0.956
  153   2HD1  LEU  18          2HD1      LEU  18   2.894   4.799  -2.542
  154   3HD1  LEU  18          3HD1      LEU  18   1.610   5.730  -1.769
  155   1HD2  LEU  18          1HD2      LEU  18   2.656   2.821  -3.362
  156   2HD2  LEU  18          2HD2      LEU  18   1.436   1.788  -2.614
  157   3HD2  LEU  18          3HD2      LEU  18   1.133   2.501  -4.204
  158    H    LEU  19           HN       LEU  19   0.186   0.621  -2.965
  159    HA   LEU  19           HA       LEU  19  -0.063  -1.054  -0.584
  160   1HB   LEU  19          2HB       LEU  19  -1.723  -1.942  -1.997
  161   2HB   LEU  19          3HB       LEU  19  -0.751  -1.704  -3.434
  162    HG   LEU  19           HG       LEU  19   0.717  -3.526  -2.773
  163   1HD1  LEU  19          1HD1      LEU  19  -0.513  -3.158  -0.226
  164   2HD1  LEU  19          2HD1      LEU  19  -0.858  -4.800  -0.772
  165   3HD1  LEU  19          3HD1      LEU  19   0.812  -4.239  -0.657
  166   1HD2  LEU  19          1HD2      LEU  19  -2.193  -4.303  -2.700
  167   2HD2  LEU  19          2HD2      LEU  19  -1.267  -3.924  -4.155
  168   3HD2  LEU  19          3HD2      LEU  19  -0.838  -5.328  -3.175
  169    H    TYR  20           HN       TYR  20   2.004  -1.305   0.076
  170    HA   TYR  20           HA       TYR  20   4.105  -1.456  -1.968
  171   1HB   TYR  20          2HB       TYR  20   4.135  -0.905   0.974
  172   2HB   TYR  20          3HB       TYR  20   5.588  -1.510   0.186
  173    HD1  TYR  20           1HD      TYR  20   7.114   0.088  -0.275
  174    HD2  TYR  20           2HD      TYR  20   2.999   1.118  -0.557
  175    HE1  TYR  20           1HE      TYR  20   7.744   2.356  -0.935
  176    HE2  TYR  20           2HE      TYR  20   3.617   3.401  -1.230
  177    HH   TYR  20           HH       TYR  20   6.506   4.268  -2.357
  178    H    MET  21           HN       MET  21   4.572  -3.374  -2.686
  179    HA   MET  21           HA       MET  21   4.724  -5.602  -0.816
  180   1HB   MET  21          2HB       MET  21   3.381  -6.993  -2.312
  181   2HB   MET  21          3HB       MET  21   2.468  -5.676  -1.609
  182   1HG   MET  21          2HG       MET  21   2.611  -4.446  -3.705
  183   2HG   MET  21          3HG       MET  21   3.570  -5.750  -4.411
  184   1HE   MET  21          1HE       MET  21   1.599  -6.118  -6.524
  185   2HE   MET  21          2HE       MET  21  -0.075  -5.818  -6.058
  186   3HE   MET  21          3HE       MET  21   1.155  -4.591  -5.759
  187    H    LYS  22           HN       LYS  22   4.882  -7.566  -2.874
  188    HA   LYS  22           HA       LYS  22   7.571  -6.939  -3.820
  189   1HB   LYS  22          2HB       LYS  22   7.120  -9.013  -2.428
  190   2HB   LYS  22          3HB       LYS  22   6.243  -9.647  -3.813
  191   1HG   LYS  22          2HG       LYS  22   8.205  -9.687  -5.149
  192   2HG   LYS  22          3HG       LYS  22   9.115  -8.764  -3.949
  193   1HD   LYS  22          2HD       LYS  22   8.930 -10.600  -2.372
  194   2HD   LYS  22          3HD       LYS  22   7.968 -11.519  -3.528
  195   1HE   LYS  22          2HE       LYS  22   9.873 -11.538  -5.072
  196   2HE   LYS  22          3HE       LYS  22  10.832 -10.654  -3.885
  197   1HZ   LYS  22          1HZ       LYS  22  10.535 -13.391  -4.089
  198   2HZ   LYS  22          2HZ       LYS  22   9.657 -12.945  -2.708
  199   3HZ   LYS  22          3HZ       LYS  22  11.295 -12.534  -2.836
  200    H    GLY  23           HN       GLY  23   8.114  -7.115  -5.952
  201   1HA   GLY  23          1HA       GLY  23   5.855  -7.404  -7.818
  202   2HA   GLY  23          2HA       GLY  23   6.780  -5.913  -7.770
  203    H    SER  24           HN       SER  24   6.304  -8.398  -9.606
  204    HA   SER  24           HA       SER  24   8.962  -8.208 -10.768
  205   1HB   SER  24          2HB       SER  24   9.027 -10.232  -9.306
  206   2HB   SER  24          3HB       SER  24   7.665 -10.889 -10.211
  207    HG   SER  24           HG       SER  24  10.283 -10.341 -11.143
  208    HA   PRO  25           HA       PRO  25   6.562  -7.719 -14.450
  209   1HB   PRO  25          2HB       PRO  25   8.200  -9.174 -16.203
  210   2HB   PRO  25          3HB       PRO  25   8.332  -7.450 -15.848
  211   1HG   PRO  25          2HG       PRO  25   9.882  -9.737 -14.740
  212   2HG   PRO  25          3HG       PRO  25  10.413  -8.082 -15.087
  213   1HD   PRO  25          2HD       PRO  25   9.950  -8.908 -12.579
  214   2HD   PRO  25          3HD       PRO  25   9.555  -7.255 -13.100
  215    H    LYS  26           HN       LYS  26   7.871 -10.892 -13.700
  216    HA   LYS  26           HA       LYS  26   6.044 -12.439 -15.215
  217   1HB   LYS  26          2HB       LYS  26   6.808 -14.326 -13.864
  218   2HB   LYS  26          3HB       LYS  26   8.171 -13.353 -14.402
  219   1HG   LYS  26          2HG       LYS  26   8.241 -12.277 -12.184
  220   2HG   LYS  26          3HG       LYS  26   6.928 -13.329 -11.657
  221   1HD   LYS  26          2HD       LYS  26   9.058 -14.209 -10.905
  222   2HD   LYS  26          3HD       LYS  26   8.350 -15.290 -12.105
  223   1HE   LYS  26          2HE       LYS  26   9.788 -14.335 -13.826
  224   2HE   LYS  26          3HE       LYS  26  10.475 -13.220 -12.645
  225   1HZ   LYS  26          1HZ       LYS  26  11.664 -14.867 -11.639
  226   2HZ   LYS  26          2HZ       LYS  26  11.678 -15.433 -13.234
  227   3HZ   LYS  26          3HZ       LYS  26  10.602 -16.101 -12.108
  228    H    LEU  27           HN       LEU  27   5.951 -11.078 -11.966
  229    HA   LEU  27           HA       LEU  27   3.090 -11.547 -11.756
  230   1HB   LEU  27          2HB       LEU  27   4.499 -13.624 -10.964
  231   2HB   LEU  27          3HB       LEU  27   4.862 -12.606  -9.580
  232    HG   LEU  27           HG       LEU  27   2.096 -13.518 -10.420
  233   1HD1  LEU  27          1HD1      LEU  27   3.545 -15.314  -9.559
  234   2HD1  LEU  27          2HD1      LEU  27   3.785 -14.383  -8.080
  235   3HD1  LEU  27          3HD1      LEU  27   2.176 -14.971  -8.501
  236   1HD2  LEU  27          1HD2      LEU  27   2.686 -12.364  -7.745
  237   2HD2  LEU  27          2HD2      LEU  27   2.481 -11.265  -9.109
  238   3HD2  LEU  27          3HD2      LEU  27   1.183 -12.375  -8.669
  239    HA   PRO  28           HA       PRO  28   4.284  -7.614  -9.913
  240   1HB   PRO  28          2HB       PRO  28   1.760  -6.626  -9.670
  241   2HB   PRO  28          3HB       PRO  28   2.684  -6.595 -11.168
  242   1HG   PRO  28          2HG       PRO  28   0.515  -8.437 -10.286
  243   2HG   PRO  28          3HG       PRO  28   0.831  -7.759 -11.893
  244   1HD   PRO  28          2HD       PRO  28   1.479 -10.286 -11.189
  245   2HD   PRO  28          3HD       PRO  28   2.382  -9.355 -12.394
  246    H    SER  29           HN       SER  29   3.421 -10.113  -8.211
  247    HA   SER  29           HA       SER  29   3.633  -8.751  -5.760
  248   1HB   SER  29          2HB       SER  29   1.492  -9.669  -4.798
  249   2HB   SER  29          3HB       SER  29   1.351  -8.300  -5.893
  250    HG   SER  29           HG       SER  29   0.688  -9.722  -7.513
  251    H    CYS  30           HN       CYS  30   5.262 -10.488  -6.798
  252    HA   CYS  30           HA       CYS  30   4.817 -13.202  -6.211
  253   1HB   CYS  30          2HB       CYS  30   7.372 -13.238  -6.427
  254   2HB   CYS  30          3HB       CYS  30   6.413 -12.818  -7.841
  255    HG   CYS  30           HG       CYS  30   8.889 -11.303  -7.374
  256    H    GLY  31           HN       GLY  31   4.095 -12.095  -3.852
  257   1HA   GLY  31          1HA       GLY  31   5.994 -13.305  -2.012
  258   2HA   GLY  31          2HA       GLY  31   5.736 -11.575  -1.788
  259    H    PHE  32           HN       PHE  32   4.623 -11.481   0.091
  260    HA   PHE  32           HA       PHE  32   2.574 -13.348   0.812
  261   1HB   PHE  32          2HB       PHE  32   3.308 -10.659   1.979
  262   2HB   PHE  32          3HB       PHE  32   2.098 -11.734   2.659
  263    HD1  PHE  32           1HD      PHE  32   2.736 -12.836   4.497
  264    HD2  PHE  32           2HD      PHE  32   5.649 -12.020   1.510
  265    HE1  PHE  32           1HE      PHE  32   4.461 -13.922   5.890
  266    HE2  PHE  32           2HE      PHE  32   7.379 -13.112   2.885
  267    HZ   PHE  32           HZ       PHE  32   6.785 -14.063   5.081
  268    H    SER  33           HN       SER  33   2.764 -10.121  -0.415
  269    HA   SER  33           HA       SER  33   0.190  -9.262  -0.185
  270   1HB   SER  33          2HB       SER  33   0.766  -7.763  -2.085
  271   2HB   SER  33          3HB       SER  33   1.958  -7.800  -0.782
  272    HG   SER  33           HG       SER  33   2.291  -8.386  -3.370
  273    H    ALA  34           HN       ALA  34   1.291 -11.747  -2.302
  274    HA   ALA  34           HA       ALA  34  -0.420 -11.575  -4.468
  275   1HB   ALA  34          1HB       ALA  34  -0.352 -14.084  -4.477
  276   2HB   ALA  34          2HB       ALA  34   1.226 -13.298  -4.406
  277   3HB   ALA  34          3HB       ALA  34   0.524 -13.998  -2.949
  278    H    GLN  35           HN       GLN  35  -1.065 -12.705  -1.201
  279    HA   GLN  35           HA       GLN  35  -3.820 -13.288  -1.799
  280   1HB   GLN  35          2HB       GLN  35  -3.479 -14.709  -0.152
  281   2HB   GLN  35          3HB       GLN  35  -1.967 -13.946   0.296
  282   1HG   GLN  35          2HG       GLN  35  -4.558 -12.815   1.259
  283   2HG   GLN  35          3HG       GLN  35  -3.896 -14.265   2.008
  284   1HE2  GLN  35          1HE2      GLN  35  -1.493 -12.251   0.818
  285   2HE2  GLN  35          2HE2      GLN  35  -1.034 -11.494   2.297
  286    H    ALA  36           HN       ALA  36  -2.060 -10.665  -0.224
  287    HA   ALA  36           HA       ALA  36  -4.322  -9.303   0.783
  288   1HB   ALA  36          1HB       ALA  36  -2.303  -8.737   1.787
  289   2HB   ALA  36          2HB       ALA  36  -1.490  -8.498   0.241
  290   3HB   ALA  36          3HB       ALA  36  -2.687  -7.329   0.798
  291    H    VAL  37           HN       VAL  37  -2.471  -8.919  -2.203
  292    HA   VAL  37           HA       VAL  37  -3.577  -6.580  -3.178
  293    HB   VAL  37           HB       VAL  37  -1.637  -7.685  -4.196
  294   1HG1  VAL  37          1HG1      VAL  37  -3.525  -9.857  -4.594
  295   2HG1  VAL  37          2HG1      VAL  37  -2.600  -9.466  -6.043
  296   3HG1  VAL  37          3HG1      VAL  37  -1.763  -9.877  -4.546
  297   1HG2  VAL  37          1HG2      VAL  37  -1.982  -6.898  -6.329
  298   2HG2  VAL  37          2HG2      VAL  37  -3.627  -7.536  -6.411
  299   3HG2  VAL  37          3HG2      VAL  37  -3.285  -6.091  -5.453
  300    H    GLN  38           HN       GLN  38  -4.814  -9.875  -3.444
  301    HA   GLN  38           HA       GLN  38  -6.859  -9.313  -5.282
  302   1HB   GLN  38          2HB       GLN  38  -7.001 -11.442  -3.154
  303   2HB   GLN  38          3HB       GLN  38  -7.755 -11.455  -4.740
  304   1HG   GLN  38          2HG       GLN  38  -4.816 -11.678  -4.144
  305   2HG   GLN  38          3HG       GLN  38  -5.881 -12.972  -4.667
  306   1HE2  GLN  38          1HE2      GLN  38  -6.940 -10.469  -6.444
  307   2HE2  GLN  38          2HE2      GLN  38  -5.891 -10.587  -7.815
  308    H    ALA  39           HN       ALA  39  -6.811  -9.347  -1.744
  309    HA   ALA  39           HA       ALA  39  -9.530  -8.857  -1.255
  310   1HB   ALA  39          1HB       ALA  39  -7.279  -7.790   0.437
  311   2HB   ALA  39          2HB       ALA  39  -8.905  -8.253   0.944
  312   3HB   ALA  39          3HB       ALA  39  -7.755  -9.489   0.430
  313    H    LEU  40           HN       LEU  40  -6.853  -6.599  -1.820
  314    HA   LEU  40           HA       LEU  40  -8.204  -4.233  -1.169
  315   1HB   LEU  40          2HB       LEU  40  -5.694  -4.866  -1.917
  316   2HB   LEU  40          3HB       LEU  40  -6.277  -4.176  -3.407
  317    HG   LEU  40           HG       LEU  40  -6.112  -2.789  -0.737
  318   1HD1  LEU  40          1HD1      LEU  40  -4.249  -3.123  -2.813
  319   2HD1  LEU  40          2HD1      LEU  40  -4.799  -1.446  -2.883
  320   3HD1  LEU  40          3HD1      LEU  40  -4.120  -2.093  -1.388
  321   1HD2  LEU  40          1HD2      LEU  40  -7.719  -1.422  -1.409
  322   2HD2  LEU  40          2HD2      LEU  40  -6.669  -0.917  -2.732
  323   3HD2  LEU  40          3HD2      LEU  40  -7.820  -2.231  -2.972
  324    H    ALA  41           HN       ALA  41  -7.526  -5.625  -4.351
  325    HA   ALA  41           HA       ALA  41  -9.096  -3.852  -5.853
  326   1HB   ALA  41          1HB       ALA  41  -8.106  -6.638  -6.409
  327   2HB   ALA  41          2HB       ALA  41  -9.018  -5.696  -7.590
  328   3HB   ALA  41          3HB       ALA  41  -7.458  -5.109  -7.006
  329    H    ALA  42           HN       ALA  42  -9.821  -6.720  -4.058
  330    HA   ALA  42           HA       ALA  42 -12.367  -7.227  -5.263
  331   1HB   ALA  42          1HB       ALA  42 -11.694  -8.131  -2.494
  332   2HB   ALA  42          2HB       ALA  42 -12.632  -8.952  -3.742
  333   3HB   ALA  42          3HB       ALA  42 -10.879  -8.832  -3.890
  334    H    CYS  43           HN       CYS  43 -11.391  -5.618  -2.245
  335    HA   CYS  43           HA       CYS  43 -14.098  -5.110  -1.511
  336   1HB   CYS  43          2HB       CYS  43 -13.130  -3.843   0.364
  337   2HB   CYS  43          3HB       CYS  43 -12.430  -5.438   0.198
  338    HG   CYS  43           HG       CYS  43 -10.042  -4.584  -0.889
  339    H    GLY  44           HN       GLY  44 -11.451  -2.914  -2.483
  340   1HA   GLY  44          1HA       GLY  44 -13.484  -0.860  -3.000
  341   2HA   GLY  44          2HA       GLY  44 -11.764  -0.566  -2.799
  342    H    GLU  45           HN       GLU  45 -11.185   0.383  -4.601
  343    HA   GLU  45           HA       GLU  45 -11.436  -1.132  -7.072
  344   1HB   GLU  45          2HB       GLU  45 -12.054   1.807  -6.836
  345   2HB   GLU  45          3HB       GLU  45 -11.682   1.022  -8.362
  346   1HG   GLU  45          2HG       GLU  45 -13.609  -0.570  -7.760
  347   2HG   GLU  45          3HG       GLU  45 -14.065   0.676  -6.596
  348    H    ARG  46           HN       ARG  46 -10.209   1.175  -8.466
  349    HA   ARG  46           HA       ARG  46  -7.727   0.145  -8.725
  350   1HB   ARG  46          2HB       ARG  46  -8.419   3.056  -9.141
  351   2HB   ARG  46          3HB       ARG  46  -7.049   2.213  -9.846
  352   1HG   ARG  46          2HG       ARG  46  -9.949   1.627 -10.387
  353   2HG   ARG  46          3HG       ARG  46  -8.837   2.496 -11.440
  354   1HD   ARG  46          2HD       ARG  46  -8.541  -0.372 -10.579
  355   2HD   ARG  46          3HD       ARG  46  -9.145   0.169 -12.144
  356    HE   ARG  46           HE       ARG  46  -6.599   1.298 -11.679
  357   1HH1  ARG  46          2HH1      ARG  46  -8.133  -1.755 -12.452
  358   2HH1  ARG  46          1HH1      ARG  46  -6.714  -2.430 -13.197
  359   1HH2  ARG  46          2HH2      ARG  46  -4.746   0.443 -12.690
  360   2HH2  ARG  46          1HH2      ARG  46  -4.787  -1.161 -13.365
  361    H    PHE  47           HN       PHE  47  -5.697   0.569  -8.121
  362    HA   PHE  47           HA       PHE  47  -5.102   2.415  -5.975
  363   1HB   PHE  47          2HB       PHE  47  -4.492   0.739  -4.362
  364   2HB   PHE  47          3HB       PHE  47  -6.150   0.448  -4.857
  365    HD1  PHE  47           1HD      PHE  47  -6.807  -1.624  -5.723
  366    HD2  PHE  47           2HD      PHE  47  -2.657  -0.708  -5.335
  367    HE1  PHE  47           1HE      PHE  47  -6.242  -4.001  -6.082
  368    HE2  PHE  47           2HE      PHE  47  -2.097  -3.082  -5.710
  369    HZ   PHE  47           HZ       PHE  47  -3.891  -4.721  -6.096
  370    H    ALA  48           HN       ALA  48  -2.840   2.535  -5.551
  371    HA   ALA  48           HA       ALA  48  -1.207   1.503  -7.752
  372   1HB   ALA  48          1HB       ALA  48   0.477   3.201  -6.663
  373   2HB   ALA  48          2HB       ALA  48  -0.794   3.757  -7.753
  374   3HB   ALA  48          3HB       ALA  48  -1.003   3.903  -6.008
  375    H    TYR  49           HN       TYR  49   0.636   0.330  -7.395
  376    HA   TYR  49           HA       TYR  49   1.048  -0.521  -4.600
  377   1HB   TYR  49          2HB       TYR  49   1.173  -2.759  -5.194
  378   2HB   TYR  49          3HB       TYR  49  -0.046  -2.211  -6.336
  379    HD1  TYR  49           1HD      TYR  49   3.515  -3.038  -5.926
  380    HD2  TYR  49           2HD      TYR  49   0.349  -2.384  -8.686
  381    HE1  TYR  49           1HE      TYR  49   4.946  -3.855  -7.732
  382    HE2  TYR  49           2HE      TYR  49   1.768  -3.213 -10.516
  383    HH   TYR  49           HH       TYR  49   4.206  -3.445 -11.006
  384    H    VAL  50           HN       VAL  50   3.270  -0.898  -4.069
  385    HA   VAL  50           HA       VAL  50   5.187  -0.075  -6.147
  386    HB   VAL  50           HB       VAL  50   5.398   0.619  -3.199
  387   1HG1  VAL  50          1HG1      VAL  50   7.252   0.822  -5.505
  388   2HG1  VAL  50          2HG1      VAL  50   7.231   2.158  -4.353
  389   3HG1  VAL  50          3HG1      VAL  50   7.587   0.523  -3.798
  390   1HG2  VAL  50          1HG2      VAL  50   3.681   1.909  -4.486
  391   2HG2  VAL  50          2HG2      VAL  50   4.978   2.885  -3.796
  392   3HG2  VAL  50          3HG2      VAL  50   4.982   2.499  -5.518
  393    H    ASP  51           HN       ASP  51   6.819  -1.421  -6.461
  394    HA   ASP  51           HA       ASP  51   6.982  -3.802  -4.850
  395   1HB   ASP  51          2HB       ASP  51   8.806  -4.472  -6.411
  396   2HB   ASP  51          3HB       ASP  51   7.276  -4.140  -7.204
  397    H    ILE  52           HN       ILE  52   8.361  -4.231  -3.329
  398    HA   ILE  52           HA       ILE  52  10.642  -2.502  -2.809
  399    HB   ILE  52           HB       ILE  52   9.696  -2.505  -0.329
  400   1HG1  ILE  52          2HG1      ILE  52   7.192  -1.846  -0.620
  401   2HG1  ILE  52          3HG1      ILE  52   7.306  -2.788  -2.105
  402   1HG2  ILE  52          1HG2      ILE  52   8.388  -0.346  -1.632
  403   2HG2  ILE  52          2HG2      ILE  52   9.864  -0.351  -0.664
  404   3HG2  ILE  52          3HG2      ILE  52   9.947  -0.651  -2.402
  405   1HD1  ILE  52          1HD1      ILE  52   8.008  -3.896   0.567
  406   2HD1  ILE  52          2HD1      ILE  52   6.405  -4.000  -0.166
  407   3HD1  ILE  52          3HD1      ILE  52   7.788  -4.754  -0.960
  408    H    LEU  53           HN       LEU  53   8.781  -5.293  -2.112
  409    HA   LEU  53           HA       LEU  53  10.715  -6.693  -0.564
  410   1HB   LEU  53          2HB       LEU  53   8.439  -7.663  -2.264
  411   2HB   LEU  53          3HB       LEU  53   9.282  -8.591  -1.027
  412    HG   LEU  53           HG       LEU  53   7.853  -6.011  -0.455
  413   1HD1  LEU  53          1HD1      LEU  53   6.366  -7.961   0.706
  414   2HD1  LEU  53          2HD1      LEU  53   5.980  -7.085  -0.786
  415   3HD1  LEU  53          3HD1      LEU  53   6.778  -8.661  -0.862
  416   1HD2  LEU  53          1HD2      LEU  53   9.603  -6.643   1.094
  417   2HD2  LEU  53          2HD2      LEU  53   8.008  -6.729   1.839
  418   3HD2  LEU  53          3HD2      LEU  53   8.826  -8.208   1.339
  419    H    GLN  54           HN       GLN  54  10.445  -5.732  -3.765
  420    HA   GLN  54           HA       GLN  54  12.317  -7.747  -4.745
  421   1HB   GLN  54          2HB       GLN  54  10.375  -7.400  -6.183
  422   2HB   GLN  54          3HB       GLN  54  10.683  -5.672  -6.229
  423   1HG   GLN  54          2HG       GLN  54  12.766  -7.559  -7.232
  424   2HG   GLN  54          3HG       GLN  54  11.361  -7.198  -8.232
  425   1HE2  GLN  54          1HE2      GLN  54  11.436  -4.464  -6.804
  426   2HE2  GLN  54          2HE2      GLN  54  12.613  -3.569  -7.691
  427    H    ASN  55           HN       ASN  55  11.954  -4.188  -4.440
  428    HA   ASN  55           HA       ASN  55  14.683  -3.676  -5.234
  429   1HB   ASN  55          2HB       ASN  55  12.641  -1.869  -3.915
  430   2HB   ASN  55          3HB       ASN  55  14.227  -1.346  -4.472
  431   1HD2  ASN  55          1HD2      ASN  55  11.098  -1.246  -5.236
  432   2HD2  ASN  55          2HD2      ASN  55  11.200  -1.207  -6.964
  433    HA   PRO  56           HA       PRO  56  16.300  -4.740  -1.217
  434   1HB   PRO  56          2HB       PRO  56  18.854  -3.868  -1.703
  435   2HB   PRO  56          3HB       PRO  56  18.230  -5.443  -2.200
  436   1HG   PRO  56          2HG       PRO  56  18.552  -2.940  -3.798
  437   2HG   PRO  56          3HG       PRO  56  18.858  -4.620  -4.275
  438   1HD   PRO  56          2HD       PRO  56  16.628  -3.286  -5.019
  439   2HD   PRO  56          3HD       PRO  56  16.629  -5.034  -4.709
  440    H    ASP  57           HN       ASP  57  17.161  -1.614  -2.714
  441    HA   ASP  57           HA       ASP  57  17.919  -0.420  -0.264
  442   1HB   ASP  57          2HB       ASP  57  17.162   0.855  -2.897
  443   2HB   ASP  57          3HB       ASP  57  17.825   1.742  -1.530
  444    H    ILE  58           HN       ILE  58  15.023   0.115  -2.238
  445    HA   ILE  58           HA       ILE  58  13.799   1.937  -0.505
  446    HB   ILE  58           HB       ILE  58  12.367   0.044  -2.381
  447   1HG1  ILE  58          2HG1      ILE  58  13.566   2.767  -2.945
  448   2HG1  ILE  58          3HG1      ILE  58  14.204   1.234  -3.531
  449   1HG2  ILE  58          1HG2      ILE  58  10.609   1.619  -2.404
  450   2HG2  ILE  58          2HG2      ILE  58  11.043   1.417  -0.705
  451   3HG2  ILE  58          3HG2      ILE  58  11.592   2.840  -1.591
  452   1HD1  ILE  58          1HD1      ILE  58  11.409   1.623  -4.216
  453   2HD1  ILE  58          2HD1      ILE  58  12.461   2.883  -4.863
  454   3HD1  ILE  58          3HD1      ILE  58  12.780   1.188  -5.238
  455    H    ARG  59           HN       ARG  59  13.733  -1.540  -0.646
  456    HA   ARG  59           HA       ARG  59  11.652  -2.240   1.011
  457   1HB   ARG  59          2HB       ARG  59  13.061  -3.814  -0.250
  458   2HB   ARG  59          3HB       ARG  59  14.391  -3.504   0.853
  459   1HG   ARG  59          2HG       ARG  59  12.984  -4.407   2.697
  460   2HG   ARG  59          3HG       ARG  59  11.779  -4.855   1.484
  461   1HD   ARG  59          2HD       ARG  59  13.190  -6.761   1.987
  462   2HD   ARG  59          3HD       ARG  59  13.481  -6.216   0.335
  463    HE   ARG  59           HE       ARG  59  15.297  -4.984   2.121
  464   1HH1  ARG  59          2HH1      ARG  59  14.666  -8.005   0.480
  465   2HH1  ARG  59          1HH1      ARG  59  16.314  -8.553   0.593
  466   1HH2  ARG  59          2HH2      ARG  59  17.468  -5.690   2.263
  467   2HH2  ARG  59          1HH2      ARG  59  17.914  -7.216   1.568
  468    H    ALA  60           HN       ALA  60  14.812  -0.976   1.921
  469    HA   ALA  60           HA       ALA  60  14.475  -1.857   4.638
  470   1HB   ALA  60          1HB       ALA  60  16.755  -0.173   4.329
  471   2HB   ALA  60          2HB       ALA  60  16.683  -1.916   4.592
  472   3HB   ALA  60          3HB       ALA  60  16.649  -1.270   2.951
  473    H    GLU  61           HN       GLU  61  14.535   1.182   2.955
  474    HA   GLU  61           HA       GLU  61  14.940   2.701   5.244
  475   1HB   GLU  61          2HB       GLU  61  15.799   3.391   3.144
  476   2HB   GLU  61          3HB       GLU  61  14.192   3.421   2.429
  477   1HG   GLU  61          2HG       GLU  61  15.023   5.637   2.873
  478   2HG   GLU  61          3HG       GLU  61  13.574   5.275   3.798
  479    H    LEU  62           HN       LEU  62  12.028   2.913   3.100
  480    HA   LEU  62           HA       LEU  62  10.841   4.567   5.054
  481   1HB   LEU  62          2HB       LEU  62   8.999   4.933   3.659
  482   2HB   LEU  62          3HB       LEU  62  10.423   4.880   2.655
  483    HG   LEU  62           HG       LEU  62   8.660   3.875   1.460
  484   1HD1  LEU  62          1HD1      LEU  62  10.433   1.726   2.523
  485   2HD1  LEU  62          2HD1      LEU  62   9.454   1.631   1.056
  486   3HD1  LEU  62          3HD1      LEU  62  10.765   2.804   1.169
  487   1HD2  LEU  62          1HD2      LEU  62   7.462   3.345   3.731
  488   2HD2  LEU  62          2HD2      LEU  62   7.051   2.538   2.219
  489   3HD2  LEU  62          3HD2      LEU  62   8.099   1.734   3.389
  490    HA   PRO  63           HA       PRO  63   8.052   0.664   6.023
  491   1HB   PRO  63          2HB       PRO  63   9.672  -1.398   6.812
  492   2HB   PRO  63          3HB       PRO  63   8.925  -1.298   5.212
  493   1HG   PRO  63          2HG       PRO  63  11.692  -0.509   6.058
  494   2HG   PRO  63          3HG       PRO  63  11.180  -1.446   4.638
  495   1HD   PRO  63          2HD       PRO  63  11.774   1.129   4.401
  496   2HD   PRO  63          3HD       PRO  63  10.384   0.441   3.530
  497    H    LYS  64           HN       LYS  64  11.326   1.131   7.217
  498    HA   LYS  64           HA       LYS  64  10.919   0.756   9.950
  499   1HB   LYS  64          2HB       LYS  64  12.787   2.811   8.774
  500   2HB   LYS  64          3HB       LYS  64  12.962   1.935  10.288
  501   1HG   LYS  64          2HG       LYS  64  13.158  -0.167   8.890
  502   2HG   LYS  64          3HG       LYS  64  13.267   0.890   7.496
  503   1HD   LYS  64          2HD       LYS  64  15.126   1.019   9.860
  504   2HD   LYS  64          3HD       LYS  64  15.471   0.139   8.374
  505   1HE   LYS  64          2HE       LYS  64  16.595   2.223   8.216
  506   2HE   LYS  64          3HE       LYS  64  15.205   2.314   7.142
  507   1HZ   LYS  64          1HZ       LYS  64  15.037   3.352   9.900
  508   2HZ   LYS  64          2HZ       LYS  64  14.114   3.780   8.543
  509   3HZ   LYS  64          3HZ       LYS  64  15.726   4.288   8.667
  510    H    TYR  65           HN       TYR  65  10.482   3.543   7.855
  511    HA   TYR  65           HA       TYR  65   9.944   5.381   9.897
  512   1HB   TYR  65          2HB       TYR  65   9.948   6.870   8.257
  513   2HB   TYR  65          3HB       TYR  65  10.293   5.543   7.172
  514    HD1  TYR  65           1HD      TYR  65   7.113   6.823   8.757
  515    HD2  TYR  65           2HD      TYR  65   9.233   5.842   5.202
  516    HE1  TYR  65           1HE      TYR  65   5.148   7.432   7.425
  517    HE2  TYR  65           2HE      TYR  65   7.257   6.449   3.857
  518    HH   TYR  65           HH       TYR  65   4.313   7.743   5.392
  519    H    ALA  66           HN       ALA  66   7.778   3.280   7.953
  520    HA   ALA  66           HA       ALA  66   5.430   4.412   9.153
  521   1HB   ALA  66          1HB       ALA  66   6.080   2.511   7.104
  522   2HB   ALA  66          2HB       ALA  66   4.758   1.926   8.111
  523   3HB   ALA  66          3HB       ALA  66   4.631   3.492   7.312
  524    H    ASN  67           HN       ASN  67   6.866   1.130   9.420
  525    HA   ASN  67           HA       ASN  67   6.890   1.100  12.183
  526   1HB   ASN  67          2HB       ASN  67   4.437   0.988  12.114
  527   2HB   ASN  67          3HB       ASN  67   4.521  -0.447  11.096
  528   1HD2  ASN  67          1HD2      ASN  67   4.110  -2.241  12.196
  529   2HD2  ASN  67          2HD2      ASN  67   4.561  -2.558  13.832
  530    H    TRP  68           HN       TRP  68   6.047  -1.073   9.578
  531    HA   TRP  68           HA       TRP  68   7.194  -3.414  10.411
  532   1HB   TRP  68          2HB       TRP  68   6.585  -2.298   7.699
  533   2HB   TRP  68          3HB       TRP  68   7.374  -3.863   7.859
  534    HD1  TRP  68           1HD      TRP  68   5.752  -5.685   7.492
  535    HE1  TRP  68           1HE      TRP  68   3.287  -6.167   8.017
  536    HE3  TRP  68           3HE      TRP  68   4.550  -1.325   9.877
  537    HZ2  TRP  68           2HZ      TRP  68   1.127  -4.897   9.287
  538    HZ3  TRP  68           3HZ      TRP  68   2.255  -1.047  10.718
  539    HH2  TRP  68           2HH      TRP  68   0.579  -2.794  10.428
  540    HA   PRO  69           HA       PRO  69  11.634  -3.117   9.742
  541   1HB   PRO  69          2HB       PRO  69  12.076  -5.728   9.066
  542   2HB   PRO  69          3HB       PRO  69  11.881  -5.185  10.735
  543   1HG   PRO  69          2HG       PRO  69   9.896  -6.484   8.918
  544   2HG   PRO  69          3HG       PRO  69  10.174  -6.753  10.648
  545   1HD   PRO  69          2HD       PRO  69   8.124  -5.244   9.709
  546   2HD   PRO  69          3HD       PRO  69   8.921  -4.919  11.262
  547    H    THR  70           HN       THR  70   9.452  -4.761   7.581
  548    HA   THR  70           HA       THR  70  10.606  -3.446   5.263
  549    HB   THR  70           HB       THR  70  10.491  -5.562   3.927
  550    HG1  THR  70           1HG      THR  70  10.615  -7.541   5.244
  551   1HG2  THR  70          1HG2      THR  70  12.561  -6.606   5.179
  552   2HG2  THR  70          2HG2      THR  70  12.435  -5.135   6.152
  553   3HG2  THR  70          3HG2      THR  70  12.675  -5.023   4.404
  554    H    PHE  71           HN       PHE  71   8.642  -5.787   4.055
  555    HA   PHE  71           HA       PHE  71   6.120  -4.471   4.751
  556   1HB   PHE  71          2HB       PHE  71   6.973  -4.833   1.861
  557   2HB   PHE  71          3HB       PHE  71   5.515  -4.042   2.432
  558    HD1  PHE  71           1HD      PHE  71   5.507  -1.682   2.672
  559    HD2  PHE  71           2HD      PHE  71   9.213  -3.782   2.493
  560    HE1  PHE  71           1HE      PHE  71   6.738   0.482   2.530
  561    HE2  PHE  71           2HE      PHE  71  10.411  -1.653   2.357
  562    HZ   PHE  71           HZ       PHE  71   9.171   0.450   2.374
  563    HA   PRO  72           HA       PRO  72   4.624  -5.135   1.827
  564   1HB   PRO  72          2HB       PRO  72   2.096  -6.120   1.841
  565   2HB   PRO  72          3HB       PRO  72   3.371  -6.744   0.789
  566   1HG   PRO  72          2HG       PRO  72   2.367  -7.816   3.395
  567   2HG   PRO  72          3HG       PRO  72   2.761  -8.690   1.902
  568   1HD   PRO  72          2HD       PRO  72   4.451  -8.599   4.004
  569   2HD   PRO  72          3HD       PRO  72   5.028  -8.653   2.327
  570    H    GLN  73           HN       GLN  73   3.184  -3.427   2.089
  571    HA   GLN  73           HA       GLN  73   1.739  -3.174   4.629
  572   1HB   GLN  73          2HB       GLN  73   3.538  -0.978   3.581
  573   2HB   GLN  73          3HB       GLN  73   2.545  -0.921   5.020
  574   1HG   GLN  73          2HG       GLN  73   3.957  -2.571   6.091
  575   2HG   GLN  73          3HG       GLN  73   4.947  -2.682   4.631
  576   1HE2  GLN  73          1HE2      GLN  73   3.970   0.430   4.796
  577   2HE2  GLN  73          2HE2      GLN  73   5.311   1.121   5.634
  578    H    LEU  74           HN       LEU  74  -0.174  -2.196   4.320
  579    HA   LEU  74           HA       LEU  74  -0.854  -1.166   1.675
  580   1HB   LEU  74          2HB       LEU  74  -2.285  -2.852   2.876
  581   2HB   LEU  74          3HB       LEU  74  -2.621  -1.636   4.084
  582    HG   LEU  74           HG       LEU  74  -4.458  -1.994   2.445
  583   1HD1  LEU  74          1HD1      LEU  74  -3.342   0.510   3.270
  584   2HD1  LEU  74          2HD1      LEU  74  -4.126   0.679   1.698
  585   3HD1  LEU  74          3HD1      LEU  74  -5.030   0.039   3.074
  586   1HD2  LEU  74          1HD2      LEU  74  -2.272  -1.440   0.584
  587   2HD2  LEU  74          2HD2      LEU  74  -3.774  -2.335   0.348
  588   3HD2  LEU  74          3HD2      LEU  74  -3.771  -0.576   0.235
  589    H    TRP  75           HN       TRP  75  -1.337   0.972   1.307
  590    HA   TRP  75           HA       TRP  75  -1.368   2.770   3.632
  591   1HB   TRP  75          2HB       TRP  75  -0.065   3.317   0.965
  592   2HB   TRP  75          3HB       TRP  75  -0.303   4.513   2.225
  593    HD1  TRP  75           1HD      TRP  75   1.717   1.257   1.612
  594    HE1  TRP  75           1HE      TRP  75   3.814   1.374   3.115
  595    HE3  TRP  75           3HE      TRP  75   0.632   5.518   4.204
  596    HZ2  TRP  75           2HZ      TRP  75   4.830   3.031   5.162
  597    HZ3  TRP  75           3HZ      TRP  75   2.221   6.297   5.921
  598    HH2  TRP  75           2HH      TRP  75   4.271   5.074   6.381
  599    H    VAL  76           HN       VAL  76  -3.083   4.019   3.745
  600    HA   VAL  76           HA       VAL  76  -4.776   4.373   1.341
  601    HB   VAL  76           HB       VAL  76  -5.573   4.431   4.272
  602   1HG1  VAL  76          1HG1      VAL  76  -7.912   4.298   3.043
  603   2HG1  VAL  76          2HG1      VAL  76  -7.126   5.836   3.414
  604   3HG1  VAL  76          3HG1      VAL  76  -7.014   5.158   1.791
  605   1HG2  VAL  76          1HG2      VAL  76  -6.425   2.441   2.186
  606   2HG2  VAL  76          2HG2      VAL  76  -5.063   2.178   3.278
  607   3HG2  VAL  76          3HG2      VAL  76  -6.691   2.375   3.929
  608    H    ASP  77           HN       ASP  77  -4.506   6.425   0.535
  609    HA   ASP  77           HA       ASP  77  -4.105   8.683   0.405
  610   1HB   ASP  77          2HB       ASP  77  -6.192   8.665   1.780
  611   2HB   ASP  77          3HB       ASP  77  -5.169   8.664   3.212
  612    H    GLY  78           HN       GLY  78  -2.199   6.838   1.363
  613   1HA   GLY  78          1HA       GLY  78   0.032   6.887   1.945
  614   2HA   GLY  78          2HA       GLY  78  -0.130   8.610   2.210
  615    H    GLU  79           HN       GLU  79  -2.174   6.295   3.813
  616    HA   GLU  79           HA       GLU  79  -0.677   6.736   6.299
  617   1HB   GLU  79          2HB       GLU  79  -3.640   6.274   5.999
  618   2HB   GLU  79          3HB       GLU  79  -2.783   6.393   7.529
  619   1HG   GLU  79          2HG       GLU  79  -2.124   8.699   6.932
  620   2HG   GLU  79          3HG       GLU  79  -3.101   8.562   5.471
  621    H    LEU  80           HN       LEU  80   0.072   4.967   7.301
  622    HA   LEU  80           HA       LEU  80  -0.026   2.485   5.970
  623   1HB   LEU  80          2HB       LEU  80   1.934   3.129   7.199
  624   2HB   LEU  80          3HB       LEU  80   1.015   3.257   8.694
  625    HG   LEU  80           HG       LEU  80   0.562   0.788   8.503
  626   1HD1  LEU  80          1HD1      LEU  80   1.151  -0.324   6.693
  627   2HD1  LEU  80          2HD1      LEU  80   1.790   1.161   5.986
  628   3HD1  LEU  80          3HD1      LEU  80   2.840   0.119   6.948
  629   1HD2  LEU  80          1HD2      LEU  80   2.099   1.293  10.124
  630   2HD2  LEU  80          2HD2      LEU  80   3.056   0.257   9.065
  631   3HD2  LEU  80          3HD2      LEU  80   3.235   2.010   8.981
  632    H    VAL  81           HN       VAL  81  -1.191   0.707   6.260
  633    HA   VAL  81           HA       VAL  81  -3.101   0.623   8.508
  634    HB   VAL  81           HB       VAL  81  -3.485  -0.493   5.716
  635   1HG1  VAL  81          1HG1      VAL  81  -5.915  -0.713   6.772
  636   2HG1  VAL  81          2HG1      VAL  81  -4.715  -2.001   6.897
  637   3HG1  VAL  81          3HG1      VAL  81  -4.973  -0.899   8.251
  638   1HG2  VAL  81          1HG2      VAL  81  -3.952   1.731   5.426
  639   2HG2  VAL  81          2HG2      VAL  81  -5.534   1.128   5.925
  640   3HG2  VAL  81          3HG2      VAL  81  -4.494   1.949   7.091
  641    H    GLY  82           HN       GLY  82  -1.307  -1.362   6.166
  642   1HA   GLY  82          1HA       GLY  82   0.218  -3.035   7.469
  643   2HA   GLY  82          2HA       GLY  82  -1.338  -3.645   8.017
  644    H    GLY  83           HN       GLY  83   0.956  -4.548   6.043
  645   1HA   GLY  83          1HA       GLY  83  -0.393  -4.482   3.544
  646   2HA   GLY  83          2HA       GLY  83   1.161  -5.218   3.858
  647    H    CYS  84           HN       CYS  84   0.880  -7.432   5.173
  648    HA   CYS  84           HA       CYS  84  -0.586  -8.935   3.247
  649   1HB   CYS  84          2HB       CYS  84   1.601  -9.693   4.035
  650   2HB   CYS  84          3HB       CYS  84   0.945  -9.969   5.639
  651    HG   CYS  84           HG       CYS  84   0.353 -12.418   5.190
  652    H    ASP  85           HN       ASP  85  -0.715  -9.301   6.786
  653    HA   ASP  85           HA       ASP  85  -3.176 -10.720   6.692
  654   1HB   ASP  85          2HB       ASP  85  -1.827  -9.376   9.046
  655   2HB   ASP  85          3HB       ASP  85  -3.171 -10.504   9.158
  656    H    ILE  86           HN       ILE  86  -2.342  -7.434   7.571
  657    HA   ILE  86           HA       ILE  86  -4.790  -6.735   8.627
  658    HB   ILE  86           HB       ILE  86  -2.763  -4.903   7.335
  659   1HG1  ILE  86          2HG1      ILE  86  -2.206  -4.381   9.744
  660   2HG1  ILE  86          3HG1      ILE  86  -3.218  -5.737  10.212
  661   1HG2  ILE  86          1HG2      ILE  86  -3.854  -3.104   8.566
  662   2HG2  ILE  86          2HG2      ILE  86  -4.984  -3.881   7.453
  663   3HG2  ILE  86          3HG2      ILE  86  -5.056  -4.244   9.178
  664   1HD1  ILE  86          1HD1      ILE  86  -1.708  -7.292   9.459
  665   2HD1  ILE  86          2HD1      ILE  86  -0.965  -6.176   8.311
  666   3HD1  ILE  86          3HD1      ILE  86  -0.645  -6.009  10.038
  667    H    VAL  87           HN       VAL  87  -3.645  -6.354   5.273
  668    HA   VAL  87           HA       VAL  87  -5.882  -4.996   4.276
  669    HB   VAL  87           HB       VAL  87  -4.054  -6.947   2.867
  670   1HG1  VAL  87          1HG1      VAL  87  -5.080  -6.551   0.870
  671   2HG1  VAL  87          2HG1      VAL  87  -6.488  -6.418   1.925
  672   3HG1  VAL  87          3HG1      VAL  87  -5.667  -4.961   1.361
  673   1HG2  VAL  87          1HG2      VAL  87  -3.838  -4.202   3.660
  674   2HG2  VAL  87          2HG2      VAL  87  -2.638  -5.241   2.890
  675   3HG2  VAL  87          3HG2      VAL  87  -3.785  -4.333   1.902
  676    H    ILE  88           HN       ILE  88  -5.258  -8.506   4.448
  677    HA   ILE  88           HA       ILE  88  -7.703  -9.318   3.324
  678    HB   ILE  88           HB       ILE  88  -5.992 -10.726   5.372
  679   1HG1  ILE  88          2HG1      ILE  88  -4.894 -10.238   3.193
  680   2HG1  ILE  88          3HG1      ILE  88  -5.080 -11.957   3.509
  681   1HG2  ILE  88          1HG2      ILE  88  -7.740 -12.311   3.623
  682   2HG2  ILE  88          2HG2      ILE  88  -7.344 -12.517   5.329
  683   3HG2  ILE  88          3HG2      ILE  88  -8.571 -11.343   4.844
  684   1HD1  ILE  88          1HD1      ILE  88  -5.643 -11.805   1.298
  685   2HD1  ILE  88          2HD1      ILE  88  -7.236 -11.713   2.076
  686   3HD1  ILE  88          3HD1      ILE  88  -6.448 -10.241   1.498
  687    H    GLU  89           HN       GLU  89  -6.769  -8.899   6.750
  688    HA   GLU  89           HA       GLU  89  -9.275  -9.644   7.772
  689   1HB   GLU  89          2HB       GLU  89  -7.255  -9.511   9.166
  690   2HB   GLU  89          3HB       GLU  89  -7.267  -7.757   9.017
  691   1HG   GLU  89          2HG       GLU  89  -9.419  -7.666  10.160
  692   2HG   GLU  89          3HG       GLU  89  -9.431  -9.423  10.285
  693    H    MET  90           HN       MET  90  -7.976  -6.369   7.164
  694    HA   MET  90           HA       MET  90 -10.309  -4.962   7.859
  695   1HB   MET  90          2HB       MET  90  -8.083  -4.240   5.955
  696   2HB   MET  90          3HB       MET  90  -9.367  -3.130   6.412
  697   1HG   MET  90          2HG       MET  90  -7.383  -4.402   8.281
  698   2HG   MET  90          3HG       MET  90  -7.359  -2.734   7.711
  699   1HE   MET  90          1HE       MET  90  -8.341  -2.227  11.434
  700   2HE   MET  90          2HE       MET  90  -7.319  -3.555  10.885
  701   3HE   MET  90          3HE       MET  90  -7.145  -1.952  10.169
  702    H    TYR  91           HN       TYR  91  -9.355  -6.538   4.899
  703    HA   TYR  91           HA       TYR  91 -11.394  -5.651   3.162
  704   1HB   TYR  91          2HB       TYR  91  -9.646  -6.800   2.156
  705   2HB   TYR  91          3HB       TYR  91  -9.599  -8.027   3.408
  706    HD1  TYR  91           1HD      TYR  91 -11.915  -6.874   0.674
  707    HD2  TYR  91           2HD      TYR  91 -10.270 -10.088   2.899
  708    HE1  TYR  91           1HE      TYR  91 -13.081  -8.473  -0.782
  709    HE2  TYR  91           2HE      TYR  91 -11.406 -11.695   1.459
  710    HH   TYR  91           HH       TYR  91 -13.836 -10.739  -0.797
  711    H    GLN  92           HN       GLN  92 -11.191  -8.500   5.265
  712    HA   GLN  92           HA       GLN  92 -13.814  -9.405   4.742
  713   1HB   GLN  92          2HB       GLN  92 -12.066  -9.900   7.162
  714   2HB   GLN  92          3HB       GLN  92 -13.509 -10.815   6.744
  715   1HG   GLN  92          2HG       GLN  92 -12.429 -11.550   4.663
  716   2HG   GLN  92          3HG       GLN  92 -10.980 -10.651   5.116
  717   1HE2  GLN  92          1HE2      GLN  92 -12.262 -13.626   5.024
  718   2HE2  GLN  92          2HE2      GLN  92 -11.389 -14.380   6.315
  719    H    ARG  93           HN       ARG  93 -12.422  -7.315   7.215
  720    HA   ARG  93           HA       ARG  93 -14.700  -6.903   8.826
  721   1HB   ARG  93          2HB       ARG  93 -12.470  -4.952   8.207
  722   2HB   ARG  93          3HB       ARG  93 -13.582  -4.852   9.557
  723   1HG   ARG  93          2HG       ARG  93 -11.556  -7.023   9.115
  724   2HG   ARG  93          3HG       ARG  93 -11.388  -5.664  10.229
  725   1HD   ARG  93          2HD       ARG  93 -13.444  -7.868  10.372
  726   2HD   ARG  93          3HD       ARG  93 -12.059  -7.646  11.441
  727    HE   ARG  93           HE       ARG  93 -14.587  -6.446  11.715
  728   1HH1  ARG  93          2HH1      ARG  93 -11.177  -5.645  12.054
  729   2HH1  ARG  93          1HH1      ARG  93 -11.478  -4.288  13.096
  730   1HH2  ARG  93          2HH2      ARG  93 -14.964  -4.712  13.103
  731   2HH2  ARG  93          1HH2      ARG  93 -13.638  -3.767  13.699
  732    H    GLY  94           HN       GLY  94 -13.604  -5.459   5.843
  733   1HA   GLY  94          1HA       GLY  94 -15.022  -4.391   4.261
  734   2HA   GLY  94          2HA       GLY  94 -16.161  -4.045   5.556
  735    H    GLU  95           HN       GLU  95 -13.846  -3.169   7.285
  736    HA   GLU  95           HA       GLU  95 -14.089  -0.432   6.838
  737   1HB   GLU  95          2HB       GLU  95 -11.928  -1.900   8.367
  738   2HB   GLU  95          3HB       GLU  95 -12.214  -0.168   8.449
  739   1HG   GLU  95          2HG       GLU  95 -14.498  -0.634   9.291
  740   2HG   GLU  95          3HG       GLU  95 -14.089  -2.350   9.324
  741    H    LEU  96           HN       LEU  96 -11.755  -2.663   5.527
  742    HA   LEU  96           HA       LEU  96  -9.714  -0.891   4.797
  743   1HB   LEU  96          2HB       LEU  96  -9.487  -3.327   4.655
  744   2HB   LEU  96          3HB       LEU  96 -10.646  -3.362   3.340
  745    HG   LEU  96           HG       LEU  96  -9.079  -2.017   1.962
  746   1HD1  LEU  96          1HD1      LEU  96  -7.548  -2.054   4.490
  747   2HD1  LEU  96          2HD1      LEU  96  -6.627  -2.257   3.000
  748   3HD1  LEU  96          3HD1      LEU  96  -7.634  -0.826   3.230
  749   1HD2  LEU  96          1HD2      LEU  96  -7.851  -3.840   1.285
  750   2HD2  LEU  96          2HD2      LEU  96  -7.584  -4.408   2.935
  751   3HD2  LEU  96          3HD2      LEU  96  -9.165  -4.609   2.175
  752    H    GLN  97           HN       GLN  97 -12.404  -2.084   2.846
  753    HA   GLN  97           HA       GLN  97 -11.992  -0.313   0.674
  754   1HB   GLN  97          2HB       GLN  97 -14.381  -0.889   0.087
  755   2HB   GLN  97          3HB       GLN  97 -13.261  -2.238   0.189
  756   1HG   GLN  97          2HG       GLN  97 -14.102  -2.690   2.472
  757   2HG   GLN  97          3HG       GLN  97 -15.291  -1.408   2.243
  758   1HE2  GLN  97          1HE2      GLN  97 -14.753  -4.647   2.055
  759   2HE2  GLN  97          2HE2      GLN  97 -16.076  -5.089   1.030
  760    H    GLN  98           HN       GLN  98 -13.568  -0.001   3.725
  761    HA   GLN  98           HA       GLN  98 -15.137   2.295   3.184
  762   1HB   GLN  98          2HB       GLN  98 -13.854   1.372   5.763
  763   2HB   GLN  98          3HB       GLN  98 -15.032   2.655   5.646
  764   1HG   GLN  98          2HG       GLN  98 -16.608   0.959   4.670
  765   2HG   GLN  98          3HG       GLN  98 -15.432  -0.262   5.116
  766   1HE2  GLN  98          1HE2      GLN  98 -18.230   0.995   6.042
  767   2HE2  GLN  98          2HE2      GLN  98 -18.104   0.832   7.767
  768    H    LEU  99           HN       LEU  99 -11.864   1.792   4.375
  769    HA   LEU  99           HA       LEU  99 -11.138   4.526   4.589
  770   1HB   LEU  99          2HB       LEU  99  -9.322   2.181   4.014
  771   2HB   LEU  99          3HB       LEU  99  -8.870   3.713   4.736
  772    HG   LEU  99           HG       LEU  99 -10.622   1.601   5.996
  773   1HD1  LEU  99          1HD1      LEU  99  -7.740   2.306   6.204
  774   2HD1  LEU  99          2HD1      LEU  99  -8.584   1.790   7.662
  775   3HD1  LEU  99          3HD1      LEU  99  -8.527   0.730   6.254
  776   1HD2  LEU  99          1HD2      LEU  99  -9.549   4.080   7.320
  777   2HD2  LEU  99          2HD2      LEU  99 -11.133   4.042   6.541
  778   3HD2  LEU  99          3HD2      LEU  99 -10.791   2.970   7.901
  779    H    ILE 100           HN       ILE 100 -10.776   2.067   2.082
  780    HA   ILE 100           HA       ILE 100  -9.287   3.600   0.278
  781    HB   ILE 100           HB       ILE 100 -11.242   1.395  -0.396
  782   1HG1  ILE 100          2HG1      ILE 100  -9.571   0.598   1.175
  783   2HG1  ILE 100          3HG1      ILE 100  -9.235  -0.059  -0.421
  784   1HG2  ILE 100          1HG2      ILE 100 -10.679   1.627  -2.536
  785   2HG2  ILE 100          2HG2      ILE 100  -9.873   3.137  -2.101
  786   3HG2  ILE 100          3HG2      ILE 100  -8.961   1.626  -2.142
  787   1HD1  ILE 100          1HD1      ILE 100  -7.706   1.915   1.182
  788   2HD1  ILE 100          2HD1      ILE 100  -7.140   0.541   0.234
  789   3HD1  ILE 100          3HD1      ILE 100  -7.640   2.025  -0.576
  790    H    LYS 101           HN       LYS 101 -12.827   3.144   0.525
  791    HA   LYS 101           HA       LYS 101 -13.518   4.676  -1.704
  792   1HB   LYS 101          2HB       LYS 101 -15.161   3.284  -0.529
  793   2HB   LYS 101          3HB       LYS 101 -15.068   4.347   0.876
  794   1HG   LYS 101          2HG       LYS 101 -15.841   6.199  -0.493
  795   2HG   LYS 101          3HG       LYS 101 -15.969   5.130  -1.869
  796   1HD   LYS 101          2HD       LYS 101 -18.156   5.428  -0.968
  797   2HD   LYS 101          3HD       LYS 101 -17.636   3.789  -0.580
  798   1HE   LYS 101          2HE       LYS 101 -17.152   4.407   1.678
  799   2HE   LYS 101          3HE       LYS 101 -17.404   6.116   1.318
  800   1HZ   LYS 101          1HZ       LYS 101 -19.713   4.694   0.578
  801   2HZ   LYS 101          2HZ       LYS 101 -19.539   5.876   1.782
  802   3HZ   LYS 101          3HZ       LYS 101 -19.301   4.245   2.165
  803    H    GLU 102           HN       GLU 102 -13.273   5.608   1.686
  804    HA   GLU 102           HA       GLU 102 -13.998   8.259   1.550
  805   1HB   GLU 102          2HB       GLU 102 -13.522   6.941   3.601
  806   2HB   GLU 102          3HB       GLU 102 -11.807   7.073   3.251
  807   1HG   GLU 102          2HG       GLU 102 -12.424   8.656   4.928
  808   2HG   GLU 102          3HG       GLU 102 -11.970   9.512   3.462
  809    H    THR 103           HN       THR 103 -10.826   6.818   1.072
  810    HA   THR 103           HA       THR 103  -9.508   9.287   0.482
  811    HB   THR 103           HB       THR 103  -8.614   6.437   0.128
  812    HG1  THR 103           1HG      THR 103  -8.894   6.796   2.283
  813   1HG2  THR 103          1HG2      THR 103  -7.250   9.071  -0.173
  814   2HG2  THR 103          2HG2      THR 103  -7.177   7.653  -1.214
  815   3HG2  THR 103          3HG2      THR 103  -6.344   7.648   0.341
  816    H    ALA 104           HN       ALA 104 -10.480   6.483  -1.504
  817    HA   ALA 104           HA       ALA 104  -9.459   7.419  -3.934
  818   1HB   ALA 104          1HB       ALA 104 -10.407   5.099  -3.341
  819   2HB   ALA 104          2HB       ALA 104 -11.972   5.784  -3.786
  820   3HB   ALA 104          3HB       ALA 104 -10.668   5.717  -4.973
  821    H    ALA 105           HN       ALA 105 -12.646   7.850  -2.432
  822    HA   ALA 105           HA       ALA 105 -13.862   9.233  -4.543
  823   1HB   ALA 105          1HB       ALA 105 -14.986   8.247  -2.506
  824   2HB   ALA 105          2HB       ALA 105 -14.487   9.702  -1.641
  825   3HB   ALA 105          3HB       ALA 105 -15.568   9.828  -3.030
  826    H    LYS 106           HN       LYS 106 -11.919  10.448  -1.793
  827    HA   LYS 106           HA       LYS 106 -12.430  13.141  -2.541
  828   1HB   LYS 106          2HB       LYS 106 -10.808  13.823  -0.857
  829   2HB   LYS 106          3HB       LYS 106 -11.984  12.693  -0.224
  830   1HG   LYS 106          2HG       LYS 106  -9.976  12.058   0.746
  831   2HG   LYS 106          3HG       LYS 106 -10.211  10.914  -0.569
  832   1HD   LYS 106          2HD       LYS 106  -7.884  11.729  -0.388
  833   2HD   LYS 106          3HD       LYS 106  -8.618  12.081  -1.948
  834   1HE   LYS 106          2HE       LYS 106  -7.352  13.993  -1.154
  835   2HE   LYS 106          3HE       LYS 106  -9.070  14.375  -1.209
  836   1HZ   LYS 106          1HZ       LYS 106  -9.108  14.768   0.963
  837   2HZ   LYS 106          2HZ       LYS 106  -7.413  14.769   0.906
  838   3HZ   LYS 106          3HZ       LYS 106  -8.243  13.357   1.342
  839    H    TYR 107           HN       TYR 107  -9.937  10.837  -3.409
  840    HA   TYR 107           HA       TYR 107  -8.346  12.870  -4.726
  841   1HB   TYR 107          2HB       TYR 107  -8.164   9.870  -4.697
  842   2HB   TYR 107          3HB       TYR 107  -7.198  10.835  -5.797
  843    HD1  TYR 107           1HD      TYR 107  -7.577   9.648  -2.358
  844    HD2  TYR 107           2HD      TYR 107  -5.468  12.327  -4.920
  845    HE1  TYR 107           1HE      TYR 107  -5.835   9.877  -0.680
  846    HE2  TYR 107           2HE      TYR 107  -3.703  12.554  -3.233
  847    HH   TYR 107           HH       TYR 107  -2.805  11.127  -1.315
  848    H    LYS 108           HN       LYS 108 -10.528  10.250  -5.790
  849    HA   LYS 108           HA       LYS 108 -10.495  11.278  -8.528
  850   1HB   LYS 108          2HB       LYS 108 -11.942   8.937  -7.292
  851   2HB   LYS 108          3HB       LYS 108 -12.102   9.407  -8.965
  852   1HG   LYS 108          2HG       LYS 108 -10.681   7.538  -8.886
  853   2HG   LYS 108          3HG       LYS 108  -9.691   8.935  -9.282
  854   1HD   LYS 108          2HD       LYS 108  -9.839   8.361  -6.421
  855   2HD   LYS 108          3HD       LYS 108  -9.118   7.064  -7.376
  856   1HE   LYS 108          2HE       LYS 108  -8.272   9.955  -7.371
  857   2HE   LYS 108          3HE       LYS 108  -7.427   8.624  -6.580
  858   1HZ   LYS 108          1HZ       LYS 108  -6.278   8.764  -8.547
  859   2HZ   LYS 108          2HZ       LYS 108  -7.626   9.278  -9.435
  860   3HZ   LYS 108          3HZ       LYS 108  -7.475   7.643  -8.999
  861    H    SER 109           HN       SER 109 -13.247  10.474  -8.917
  862    HA   SER 109           HA       SER 109 -14.632  12.780  -7.813
  863   1HB   SER 109          2HB       SER 109 -16.469  12.019  -9.380
  864   2HB   SER 109          3HB       SER 109 -14.976  12.533 -10.152
  865    HG   SER 109           HG       SER 109 -15.218   9.815  -9.520
  866    H    GLU 110           HN       GLU 110 -17.194  11.334  -7.975
  867    HA   GLU 110           HA       GLU 110 -17.327  10.529  -5.265
  868   1HB   GLU 110          2HB       GLU 110 -19.367  10.190  -7.466
  869   2HB   GLU 110          3HB       GLU 110 -19.683  10.017  -5.745
  870   1HG   GLU 110          2HG       GLU 110 -18.765  12.537  -7.104
  871   2HG   GLU 110          3HG       GLU 110 -20.422  12.175  -6.632
  872    H    GLU 111           HN       GLU 111 -15.450   8.796  -6.040
  873    HA   GLU 111           HA       GLU 111 -16.426   6.332  -7.083
  874   1HB   GLU 111          2HB       GLU 111 -13.954   6.740  -5.381
  875   2HB   GLU 111          3HB       GLU 111 -14.249   5.425  -6.525
  876   1HG   GLU 111          2HG       GLU 111 -13.789   8.333  -7.128
  877   2HG   GLU 111          3HG       GLU 111 -12.759   6.964  -7.541
  878    HA   PRO 112           HA       PRO 112 -18.202   5.105  -3.179
  879   1HB   PRO 112          2HB       PRO 112 -19.996   3.417  -4.165
  880   2HB   PRO 112          3HB       PRO 112 -20.182   5.163  -4.346
  881   1HG   PRO 112          2HG       PRO 112 -19.393   3.119  -6.342
  882   2HG   PRO 112          3HG       PRO 112 -20.232   4.659  -6.581
  883   1HD   PRO 112          2HD       PRO 112 -17.476   4.137  -6.991
  884   2HD   PRO 112          3HD       PRO 112 -18.285   5.712  -7.021
  885    H    ASP 113           HN       ASP 113 -15.794   3.929  -3.567
  886    HA   ASP 113           HA       ASP 113 -15.517   1.326  -4.258
  887   1HB   ASP 113          2HB       ASP 113 -14.145   2.746  -1.972
  888   2HB   ASP 113          3HB       ASP 113 -13.614   1.200  -2.632
  889    H    ALA 114           HN       ALA 114 -16.075   2.312  -0.872
  890    HA   ALA 114           HA       ALA 114 -16.493  -0.381  -0.030
  891   1HB   ALA 114          1HB       ALA 114 -16.920   0.523   2.137
  892   2HB   ALA 114          2HB       ALA 114 -15.587   1.431   1.422
  893   3HB   ALA 114          3HB       ALA 114 -17.205   2.130   1.467
  894    H    GLU 115           HN       GLU 115 -18.597   2.406  -0.486
  895    HA   GLU 115           HA       GLU 115 -20.930   0.754  -0.922
  896   1HB   GLU 115          2HB       GLU 115 -20.668   0.775   1.538
  897   2HB   GLU 115          3HB       GLU 115 -20.662   2.531   1.515
  898   1HG   GLU 115          2HG       GLU 115 -22.967   2.470   0.601
  899   2HG   GLU 115          3HG       GLU 115 -22.949   0.715   0.810
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  22.782  12.702   8.026
    2   2H    MET   1          2H        MET   1  23.054  13.104   9.650
    3   3H    MET   1          3H        MET   1  22.169  14.154   8.658
    4    HA   MET   1           HA       MET   1  21.358  11.674   9.959
    5   1HB   MET   1          2HB       MET   1  20.682  13.901  10.775
    6   2HB   MET   1          3HB       MET   1  19.934  14.244   9.221
    7   1HG   MET   1          2HG       MET   1  18.359  12.408   9.580
    8   2HG   MET   1          3HG       MET   1  19.106  12.081  11.143
    9   1HE   MET   1          1HE       MET   1  16.394  12.937  12.765
   10   2HE   MET   1          2HE       MET   1  15.488  13.461  11.346
   11   3HE   MET   1          3HE       MET   1  16.528  12.040  11.252
   12    H    SER   2           HN       SER   2  20.778  13.520   7.009
   13    HA   SER   2           HA       SER   2  20.004  12.987   4.967
   14   1HB   SER   2          2HB       SER   2  21.439  11.003   5.079
   15   2HB   SER   2          3HB       SER   2  20.162  10.115   5.905
   16    HG   SER   2           HG       SER   2  19.724  11.304   3.374
   17    H    THR   3           HN       THR   3  18.061  13.459   4.353
   18    HA   THR   3           HA       THR   3  15.773  12.594   5.934
   19    HB   THR   3           HB       THR   3  14.561  14.342   4.585
   20    HG1  THR   3           1HG      THR   3  15.598  15.344   3.042
   21   1HG2  THR   3          1HG2      THR   3  15.581  16.236   5.794
   22   2HG2  THR   3          2HG2      THR   3  16.963  15.219   6.194
   23   3HG2  THR   3          3HG2      THR   3  15.367  14.827   6.830
   24    H    THR   4           HN       THR   4  16.556  10.476   4.686
   25    HA   THR   4           HA       THR   4  15.993  10.050   2.028
   26    HB   THR   4           HB       THR   4  15.721   7.629   2.717
   27    HG1  THR   4           1HG      THR   4  16.153   7.191   4.924
   28   1HG2  THR   4          1HG2      THR   4  18.022   7.350   3.092
   29   2HG2  THR   4          2HG2      THR   4  18.157   8.887   3.948
   30   3HG2  THR   4          3HG2      THR   4  17.909   8.868   2.202
   31    H    ILE   5           HN       ILE   5  13.762   9.641   4.788
   32    HA   ILE   5           HA       ILE   5  11.757   8.427   3.259
   33    HB   ILE   5           HB       ILE   5  11.708   9.652   5.968
   34   1HG1  ILE   5          2HG1      ILE   5  10.754   7.242   6.335
   35   2HG1  ILE   5          3HG1      ILE   5  11.426   6.942   4.741
   36   1HG2  ILE   5          1HG2      ILE   5   9.336   8.928   6.177
   37   2HG2  ILE   5          2HG2      ILE   5   9.585  10.338   5.146
   38   3HG2  ILE   5          3HG2      ILE   5   9.294   8.756   4.419
   39   1HD1  ILE   5          1HD1      ILE   5  13.382   8.238   6.388
   40   2HD1  ILE   5          2HD1      ILE   5  12.758   6.783   7.175
   41   3HD1  ILE   5          3HD1      ILE   5  13.455   6.683   5.555
   42    H    GLU   6           HN       GLU   6  12.140  11.883   4.081
   43    HA   GLU   6           HA       GLU   6   9.649  12.710   3.174
   44   1HB   GLU   6          2HB       GLU   6  10.594  14.913   2.833
   45   2HB   GLU   6          3HB       GLU   6  11.212  14.221   4.323
   46   1HG   GLU   6          2HG       GLU   6  13.307  13.702   3.243
   47   2HG   GLU   6          3HG       GLU   6  12.684  14.292   1.699
   48    H    LYS   7           HN       LYS   7  12.590  12.109   1.373
   49    HA   LYS   7           HA       LYS   7  11.771  12.901  -1.201
   50   1HB   LYS   7          2HB       LYS   7  13.639  10.660  -0.390
   51   2HB   LYS   7          3HB       LYS   7  13.524  11.354  -1.999
   52   1HG   LYS   7          2HG       LYS   7  14.321  13.485  -1.170
   53   2HG   LYS   7          3HG       LYS   7  14.361  12.849   0.474
   54   1HD   LYS   7          2HD       LYS   7  16.592  12.859  -0.520
   55   2HD   LYS   7          3HD       LYS   7  16.051  11.214  -0.190
   56   1HE   LYS   7          2HE       LYS   7  17.140  11.332  -2.356
   57   2HE   LYS   7          3HE       LYS   7  15.429  10.953  -2.548
   58   1HZ   LYS   7          1HZ       LYS   7  16.674  13.626  -2.934
   59   2HZ   LYS   7          2HZ       LYS   7  15.022  13.283  -3.095
   60   3HZ   LYS   7          3HZ       LYS   7  16.137  12.590  -4.162
   61    H    ILE   8           HN       ILE   8  11.455   9.851   0.549
   62    HA   ILE   8           HA       ILE   8  10.190   8.343  -1.488
   63    HB   ILE   8           HB       ILE   8  10.049   8.079   1.518
   64   1HG1  ILE   8          2HG1      ILE   8  11.830   6.641  -0.456
   65   2HG1  ILE   8          3HG1      ILE   8  12.344   7.958   0.595
   66   1HG2  ILE   8          1HG2      ILE   8   8.427   6.842  -0.279
   67   2HG2  ILE   8          2HG2      ILE   8   9.736   5.670  -0.100
   68   3HG2  ILE   8          3HG2      ILE   8   8.845   6.224   1.321
   69   1HD1  ILE   8          1HD1      ILE   8  11.118   6.078   2.265
   70   2HD1  ILE   8          2HD1      ILE   8  12.142   5.163   1.154
   71   3HD1  ILE   8          3HD1      ILE   8  12.841   6.454   2.133
   72    H    GLN   9           HN       GLN   9   8.983  10.166   1.296
   73    HA   GLN   9           HA       GLN   9   6.343   9.445   1.032
   74   1HB   GLN   9          2HB       GLN   9   7.522  11.889   2.320
   75   2HB   GLN   9          3HB       GLN   9   5.849  11.347   2.517
   76   1HG   GLN   9          2HG       GLN   9   8.370   9.984   3.355
   77   2HG   GLN   9          3HG       GLN   9   6.948  10.368   4.313
   78   1HE2  GLN   9          1HE2      GLN   9   8.563   8.008   2.736
   79   2HE2  GLN   9          2HE2      GLN   9   7.280   6.865   2.536
   80    H    ARG  10           HN       ARG  10   8.132  11.834  -0.678
   81    HA   ARG  10           HA       ARG  10   6.139  13.502  -1.710
   82   1HB   ARG  10          2HB       ARG  10   8.536  12.338  -3.152
   83   2HB   ARG  10          3HB       ARG  10   7.599  13.718  -3.692
   84   1HG   ARG  10          2HG       ARG  10   9.177  13.633  -1.128
   85   2HG   ARG  10          3HG       ARG  10   9.765  14.301  -2.649
   86   1HD   ARG  10          2HD       ARG  10   8.987  16.098  -1.274
   87   2HD   ARG  10          3HD       ARG  10   7.875  15.899  -2.625
   88    HE   ARG  10           HE       ARG  10   6.913  14.440  -0.421
   89   1HH1  ARG  10          2HH1      ARG  10   7.422  17.746  -1.444
   90   2HH1  ARG  10          1HH1      ARG  10   6.104  18.380  -0.503
   91   1HH2  ARG  10          2HH2      ARG  10   5.186  15.259   0.838
   92   2HH2  ARG  10          1HH2      ARG  10   4.829  16.965   0.794
   93    H    GLN  11           HN       GLN  11   7.169  10.251  -2.611
   94    HA   GLN  11           HA       GLN  11   5.277  10.018  -4.753
   95   1HB   GLN  11          2HB       GLN  11   6.984   7.966  -3.345
   96   2HB   GLN  11          3HB       GLN  11   5.949   7.609  -4.723
   97   1HG   GLN  11          2HG       GLN  11   8.244   9.557  -4.702
   98   2HG   GLN  11          3HG       GLN  11   8.262   7.937  -5.403
   99   1HE2  GLN  11          1HE2      GLN  11   7.901  11.131  -6.092
  100   2HE2  GLN  11          2HE2      GLN  11   6.990  11.013  -7.558
  101    H    ILE  12           HN       ILE  12   5.441   8.655  -1.424
  102    HA   ILE  12           HA       ILE  12   3.080   7.161  -1.650
  103    HB   ILE  12           HB       ILE  12   4.040   8.420   0.925
  104   1HG1  ILE  12          2HG1      ILE  12   5.020   5.969  -0.527
  105   2HG1  ILE  12          3HG1      ILE  12   5.951   7.281   0.210
  106   1HG2  ILE  12          1HG2      ILE  12   2.872   6.676   2.039
  107   2HG2  ILE  12          2HG2      ILE  12   1.761   7.392   0.867
  108   3HG2  ILE  12          3HG2      ILE  12   2.539   5.845   0.519
  109   1HD1  ILE  12          1HD1      ILE  12   6.298   5.621   1.716
  110   2HD1  ILE  12          2HD1      ILE  12   4.882   6.413   2.412
  111   3HD1  ILE  12          3HD1      ILE  12   4.694   4.920   1.493
  112    H    ALA  13           HN       ALA  13   3.580  10.426  -0.524
  113    HA   ALA  13           HA       ALA  13   1.002  10.950   0.390
  114   1HB   ALA  13          1HB       ALA  13   2.651  12.483   1.021
  115   2HB   ALA  13          2HB       ALA  13   3.167  12.750  -0.645
  116   3HB   ALA  13          3HB       ALA  13   1.616  13.382  -0.089
  117    H    GLU  14           HN       GLU  14   2.343  11.191  -2.876
  118    HA   GLU  14           HA       GLU  14   0.140  12.673  -3.861
  119   1HB   GLU  14          2HB       GLU  14   1.015  12.383  -6.082
  120   2HB   GLU  14          3HB       GLU  14   2.304  12.804  -4.968
  121   1HG   GLU  14          2HG       GLU  14   3.173  10.616  -4.995
  122   2HG   GLU  14          3HG       GLU  14   1.731   9.983  -5.793
  123    H    ASN  15           HN       ASN  15   0.758   9.156  -3.829
  124    HA   ASN  15           HA       ASN  15  -1.434   8.689  -5.618
  125   1HB   ASN  15          2HB       ASN  15  -1.101   6.274  -4.752
  126   2HB   ASN  15          3HB       ASN  15   0.115   6.981  -5.778
  127   1HD2  ASN  15          1HD2      ASN  15   2.093   6.769  -5.147
  128   2HD2  ASN  15          2HD2      ASN  15   2.621   6.527  -3.526
  129    HA   PRO  16           HA       PRO  16  -4.808   8.943  -2.840
  130   1HB   PRO  16          2HB       PRO  16  -6.039   7.033  -4.746
  131   2HB   PRO  16          3HB       PRO  16  -6.598   8.634  -4.251
  132   1HG   PRO  16          2HG       PRO  16  -5.572   8.252  -6.670
  133   2HG   PRO  16          3HG       PRO  16  -5.188   9.722  -5.749
  134   1HD   PRO  16          2HD       PRO  16  -3.543   7.250  -6.143
  135   2HD   PRO  16          3HD       PRO  16  -3.045   8.954  -6.198
  136    H    ILE  17           HN       ILE  17  -3.953   5.833  -4.248
  137    HA   ILE  17           HA       ILE  17  -4.369   4.518  -1.652
  138    HB   ILE  17           HB       ILE  17  -5.281   3.337  -4.292
  139   1HG1  ILE  17          2HG1      ILE  17  -6.715   5.281  -3.803
  140   2HG1  ILE  17          3HG1      ILE  17  -7.603   3.769  -3.651
  141   1HG2  ILE  17          1HG2      ILE  17  -6.436   1.704  -2.923
  142   2HG2  ILE  17          2HG2      ILE  17  -4.709   1.737  -2.548
  143   3HG2  ILE  17          3HG2      ILE  17  -5.862   2.509  -1.457
  144   1HD1  ILE  17          1HD1      ILE  17  -8.290   4.478  -1.667
  145   2HD1  ILE  17          2HD1      ILE  17  -6.630   4.351  -1.087
  146   3HD1  ILE  17          3HD1      ILE  17  -7.218   5.886  -1.744
  147    H    LEU  18           HN       LEU  18  -2.436   3.550  -1.208
  148    HA   LEU  18           HA       LEU  18  -0.786   2.698  -3.486
  149   1HB   LEU  18          2HB       LEU  18  -0.112   4.817  -2.400
  150   2HB   LEU  18          3HB       LEU  18   0.132   3.935  -0.908
  151    HG   LEU  18           HG       LEU  18   1.917   2.626  -1.967
  152   1HD1  LEU  18          1HD1      LEU  18   2.070   4.374  -4.327
  153   2HD1  LEU  18          2HD1      LEU  18   2.369   2.643  -4.170
  154   3HD1  LEU  18          3HD1      LEU  18   0.716   3.241  -4.323
  155   1HD2  LEU  18          1HD2      LEU  18   2.001   5.634  -1.960
  156   2HD2  LEU  18          2HD2      LEU  18   2.750   4.493  -0.835
  157   3HD2  LEU  18          3HD2      LEU  18   3.418   4.701  -2.453
  158    H    LEU  19           HN       LEU  19   0.404   0.892  -3.322
  159    HA   LEU  19           HA       LEU  19   0.270  -0.703  -0.859
  160   1HB   LEU  19          2HB       LEU  19  -1.440  -1.674  -2.121
  161   2HB   LEU  19          3HB       LEU  19  -0.599  -1.413  -3.636
  162    HG   LEU  19           HG       LEU  19   1.002  -3.186  -3.046
  163   1HD1  LEU  19          1HD1      LEU  19   1.188  -3.837  -0.916
  164   2HD1  LEU  19          2HD1      LEU  19  -0.280  -2.966  -0.469
  165   3HD1  LEU  19          3HD1      LEU  19  -0.386  -4.622  -1.071
  166   1HD2  LEU  19          1HD2      LEU  19  -0.994  -3.625  -4.394
  167   2HD2  LEU  19          2HD2      LEU  19  -0.486  -5.033  -3.460
  168   3HD2  LEU  19          3HD2      LEU  19  -1.871  -4.076  -2.932
  169    H    TYR  20           HN       TYR  20   2.300  -1.248  -0.279
  170    HA   TYR  20           HA       TYR  20   4.328  -1.457  -2.398
  171   1HB   TYR  20          2HB       TYR  20   4.502  -1.028   0.560
  172   2HB   TYR  20          3HB       TYR  20   5.888  -1.646  -0.336
  173    HD1  TYR  20           1HD      TYR  20   7.454  -0.089  -0.854
  174    HD2  TYR  20           2HD      TYR  20   3.379   1.123  -0.778
  175    HE1  TYR  20           1HE      TYR  20   8.131   2.194  -1.450
  176    HE2  TYR  20           2HE      TYR  20   4.055   3.404  -1.374
  177    HH   TYR  20           HH       TYR  20   6.947   4.201  -2.646
  178    H    MET  21           HN       MET  21   4.887  -3.412  -3.100
  179    HA   MET  21           HA       MET  21   5.062  -5.573  -1.202
  180   1HB   MET  21          2HB       MET  21   3.775  -7.098  -2.743
  181   2HB   MET  21          3HB       MET  21   2.862  -5.987  -1.749
  182   1HG   MET  21          2HG       MET  21   1.844  -6.081  -3.887
  183   2HG   MET  21          3HG       MET  21   2.625  -4.514  -3.737
  184   1HE   MET  21          1HE       MET  21   4.164  -3.568  -5.668
  185   2HE   MET  21          2HE       MET  21   5.321  -4.357  -4.594
  186   3HE   MET  21          3HE       MET  21   5.428  -4.599  -6.340
  187    H    LYS  22           HN       LYS  22   5.247  -7.665  -3.260
  188    HA   LYS  22           HA       LYS  22   7.910  -6.939  -4.270
  189   1HB   LYS  22          2HB       LYS  22   7.676  -9.034  -2.894
  190   2HB   LYS  22          3HB       LYS  22   6.656  -9.692  -4.166
  191   1HG   LYS  22          2HG       LYS  22   8.524  -9.494  -5.751
  192   2HG   LYS  22          3HG       LYS  22   9.544  -8.880  -4.449
  193   1HD   LYS  22          2HD       LYS  22   9.183 -10.984  -3.210
  194   2HD   LYS  22          3HD       LYS  22   8.237 -11.598  -4.567
  195   1HE   LYS  22          2HE       LYS  22  10.448 -12.495  -4.735
  196   2HE   LYS  22          3HE       LYS  22  10.243 -11.303  -6.015
  197   1HZ   LYS  22          1HZ       LYS  22  12.231 -11.404  -4.074
  198   2HZ   LYS  22          2HZ       LYS  22  11.293 -10.043  -3.717
  199   3HZ   LYS  22          3HZ       LYS  22  12.003 -10.204  -5.249
  200    H    GLY  23           HN       GLY  23   8.075  -6.415  -6.334
  201   1HA   GLY  23          1HA       GLY  23   5.825  -7.024  -8.100
  202   2HA   GLY  23          2HA       GLY  23   7.093  -5.844  -8.404
  203    H    SER  24           HN       SER  24   5.905  -8.690  -9.430
  204    HA   SER  24           HA       SER  24   8.509  -9.446 -10.572
  205   1HB   SER  24          2HB       SER  24   7.795 -11.151  -8.920
  206   2HB   SER  24          3HB       SER  24   6.266 -11.335  -9.777
  207    HG   SER  24           HG       SER  24   8.082 -12.876 -10.231
  208    HA   PRO  25           HA       PRO  25   6.584  -8.460 -14.413
  209   1HB   PRO  25          2HB       PRO  25   7.992 -10.853 -15.491
  210   2HB   PRO  25          3HB       PRO  25   8.023  -9.181 -16.060
  211   1HG   PRO  25          2HG       PRO  25  10.092 -10.213 -14.730
  212   2HG   PRO  25          3HG       PRO  25   9.589  -8.532 -14.483
  213   1HD   PRO  25          2HD       PRO  25   9.181 -10.911 -12.735
  214   2HD   PRO  25          3HD       PRO  25   9.466  -9.217 -12.290
  215    H    LYS  26           HN       LYS  26   6.736 -11.883 -13.572
  216    HA   LYS  26           HA       LYS  26   4.445 -12.613 -15.118
  217   1HB   LYS  26          2HB       LYS  26   4.673 -14.804 -14.031
  218   2HB   LYS  26          3HB       LYS  26   6.196 -14.240 -14.699
  219   1HG   LYS  26          2HG       LYS  26   6.886 -13.526 -12.443
  220   2HG   LYS  26          3HG       LYS  26   5.380 -14.185 -11.802
  221   1HD   LYS  26          2HD       LYS  26   7.527 -15.743 -13.245
  222   2HD   LYS  26          3HD       LYS  26   7.234 -15.752 -11.506
  223   1HE   LYS  26          2HE       LYS  26   5.304 -16.684 -13.631
  224   2HE   LYS  26          3HE       LYS  26   6.276 -17.726 -12.592
  225   1HZ   LYS  26          1HZ       LYS  26   3.845 -16.255 -11.997
  226   2HZ   LYS  26          2HZ       LYS  26   5.024 -16.229 -10.775
  227   3HZ   LYS  26          3HZ       LYS  26   4.423 -17.709 -11.344
  228    H    LEU  27           HN       LEU  27   4.965 -11.516 -11.851
  229    HA   LEU  27           HA       LEU  27   2.086 -11.457 -11.365
  230   1HB   LEU  27          2HB       LEU  27   3.213 -13.713 -10.654
  231   2HB   LEU  27          3HB       LEU  27   3.912 -12.748  -9.365
  232    HG   LEU  27           HG       LEU  27   0.947 -13.177  -9.812
  233   1HD1  LEU  27          1HD1      LEU  27   1.110 -15.034  -8.616
  234   2HD1  LEU  27          2HD1      LEU  27   2.867 -14.889  -8.698
  235   3HD1  LEU  27          3HD1      LEU  27   1.987 -14.188  -7.340
  236   1HD2  LEU  27          1HD2      LEU  27   2.272 -11.158  -8.378
  237   2HD2  LEU  27          2HD2      LEU  27   0.559 -11.567  -8.340
  238   3HD2  LEU  27          3HD2      LEU  27   1.666 -12.304  -7.183
  239    HA   PRO  28           HA       PRO  28   4.143  -7.738  -9.783
  240   1HB   PRO  28          2HB       PRO  28   1.413  -6.673  -9.726
  241   2HB   PRO  28          3HB       PRO  28   2.822  -6.094 -10.617
  242   1HG   PRO  28          2HG       PRO  28   0.762  -7.269 -11.861
  243   2HG   PRO  28          3HG       PRO  28   2.435  -7.517 -12.400
  244   1HD   PRO  28          2HD       PRO  28   0.702  -9.307 -10.727
  245   2HD   PRO  28          3HD       PRO  28   1.762  -9.722 -12.088
  246    H    SER  29           HN       SER  29   3.283  -9.865  -7.915
  247    HA   SER  29           HA       SER  29   3.495  -8.385  -5.587
  248   1HB   SER  29          2HB       SER  29   1.328  -9.181  -4.514
  249   2HB   SER  29          3HB       SER  29   1.267  -7.788  -5.583
  250    HG   SER  29           HG       SER  29   0.133  -8.925  -6.993
  251    H    CYS  30           HN       CYS  30   5.012 -10.293  -6.517
  252    HA   CYS  30           HA       CYS  30   4.447 -12.936  -6.081
  253   1HB   CYS  30          2HB       CYS  30   6.429 -12.143  -7.269
  254   2HB   CYS  30          3HB       CYS  30   7.123 -11.575  -5.756
  255    HG   CYS  30           HG       CYS  30   6.625 -14.555  -4.988
  256    H    GLY  31           HN       GLY  31   5.582 -10.627  -3.659
  257   1HA   GLY  31          1HA       GLY  31   6.283 -12.552  -1.712
  258   2HA   GLY  31          2HA       GLY  31   6.031 -10.843  -1.416
  259    H    PHE  32           HN       PHE  32   4.851 -10.857   0.401
  260    HA   PHE  32           HA       PHE  32   2.795 -12.764   0.893
  261   1HB   PHE  32          2HB       PHE  32   3.750 -10.356   2.393
  262   2HB   PHE  32          3HB       PHE  32   2.269 -11.175   2.858
  263    HD1  PHE  32           1HD      PHE  32   2.350 -12.836   4.377
  264    HD2  PHE  32           2HD      PHE  32   5.845 -11.931   2.120
  265    HE1  PHE  32           1HE      PHE  32   3.643 -14.446   5.733
  266    HE2  PHE  32           2HE      PHE  32   7.137 -13.552   3.455
  267    HZ   PHE  32           HZ       PHE  32   6.034 -14.812   5.264
  268    H    SER  33           HN       SER  33   2.844  -9.763  -0.690
  269    HA   SER  33           HA       SER  33   0.296  -8.827  -0.025
  270   1HB   SER  33          2HB       SER  33   2.012  -7.470  -1.114
  271   2HB   SER  33          3HB       SER  33   1.834  -8.442  -2.570
  272    HG   SER  33           HG       SER  33  -0.467  -7.749  -2.450
  273    H    ALA  34           HN       ALA  34   1.136 -11.552  -1.856
  274    HA   ALA  34           HA       ALA  34  -0.530 -11.650  -3.990
  275   1HB   ALA  34          1HB       ALA  34  -0.691 -14.178  -3.456
  276   2HB   ALA  34          2HB       ALA  34   0.892 -13.462  -3.770
  277   3HB   ALA  34          3HB       ALA  34   0.385 -13.790  -2.112
  278    H    GLN  35           HN       GLN  35  -1.469 -12.371  -0.645
  279    HA   GLN  35           HA       GLN  35  -4.201 -12.908  -1.433
  280   1HB   GLN  35          2HB       GLN  35  -3.240 -12.450   1.407
  281   2HB   GLN  35          3HB       GLN  35  -4.716 -13.240   0.886
  282   1HG   GLN  35          2HG       GLN  35  -3.351 -14.990   1.548
  283   2HG   GLN  35          3HG       GLN  35  -3.197 -14.979  -0.208
  284   1HE2  GLN  35          1HE2      GLN  35  -1.609 -12.382   1.236
  285   2HE2  GLN  35          2HE2      GLN  35  -0.002 -13.011   1.204
  286    H    ALA  36           HN       ALA  36  -2.404 -10.306   0.104
  287    HA   ALA  36           HA       ALA  36  -4.521  -8.681   0.879
  288   1HB   ALA  36          1HB       ALA  36  -2.715  -6.834   0.647
  289   2HB   ALA  36          2HB       ALA  36  -2.492  -8.124   1.829
  290   3HB   ALA  36          3HB       ALA  36  -1.634  -8.181   0.288
  291    H    VAL  37           HN       VAL  37  -2.645  -8.695  -2.099
  292    HA   VAL  37           HA       VAL  37  -3.726  -6.435  -3.303
  293    HB   VAL  37           HB       VAL  37  -1.751  -7.638  -4.156
  294   1HG1  VAL  37          1HG1      VAL  37  -3.757  -9.740  -4.861
  295   2HG1  VAL  37          2HG1      VAL  37  -2.245  -9.578  -5.755
  296   3HG1  VAL  37          3HG1      VAL  37  -2.214  -9.906  -4.024
  297   1HG2  VAL  37          1HG2      VAL  37  -2.035  -7.011  -6.350
  298   2HG2  VAL  37          2HG2      VAL  37  -3.679  -7.649  -6.435
  299   3HG2  VAL  37          3HG2      VAL  37  -3.360  -6.138  -5.578
  300    H    GLN  38           HN       GLN  38  -4.881  -9.756  -3.221
  301    HA   GLN  38           HA       GLN  38  -7.015  -9.361  -5.039
  302   1HB   GLN  38          2HB       GLN  38  -6.914 -11.436  -2.850
  303   2HB   GLN  38          3HB       GLN  38  -7.796 -11.521  -4.366
  304   1HG   GLN  38          2HG       GLN  38  -4.808 -11.641  -3.990
  305   2HG   GLN  38          3HG       GLN  38  -5.882 -12.963  -4.442
  306   1HE2  GLN  38          1HE2      GLN  38  -7.172 -10.535  -6.143
  307   2HE2  GLN  38          2HE2      GLN  38  -6.210 -10.583  -7.583
  308    H    ALA  39           HN       ALA  39  -6.792  -9.354  -1.502
  309    HA   ALA  39           HA       ALA  39  -9.506  -8.906  -0.924
  310   1HB   ALA  39          1HB       ALA  39  -7.890  -9.582   0.771
  311   2HB   ALA  39          2HB       ALA  39  -7.076  -8.023   0.632
  312   3HB   ALA  39          3HB       ALA  39  -8.728  -8.103   1.251
  313    H    LEU  40           HN       LEU  40  -6.855  -6.630  -1.517
  314    HA   LEU  40           HA       LEU  40  -8.205  -4.263  -0.836
  315   1HB   LEU  40          2HB       LEU  40  -5.704  -4.884  -1.622
  316   2HB   LEU  40          3HB       LEU  40  -6.315  -4.217  -3.112
  317    HG   LEU  40           HG       LEU  40  -6.040  -2.802  -0.470
  318   1HD1  LEU  40          1HD1      LEU  40  -4.471  -2.963  -2.909
  319   2HD1  LEU  40          2HD1      LEU  40  -4.842  -1.302  -2.444
  320   3HD1  LEU  40          3HD1      LEU  40  -4.024  -2.378  -1.307
  321   1HD2  LEU  40          1HD2      LEU  40  -7.725  -1.470  -1.019
  322   2HD2  LEU  40          2HD2      LEU  40  -6.782  -0.937  -2.414
  323   3HD2  LEU  40          3HD2      LEU  40  -7.923  -2.272  -2.580
  324    H    ALA  41           HN       ALA  41  -7.568  -5.680  -4.010
  325    HA   ALA  41           HA       ALA  41  -9.156  -3.930  -5.524
  326   1HB   ALA  41          1HB       ALA  41  -8.860  -5.449  -7.322
  327   2HB   ALA  41          2HB       ALA  41  -7.371  -5.491  -6.377
  328   3HB   ALA  41          3HB       ALA  41  -8.551  -6.793  -6.226
  329    H    ALA  42           HN       ALA  42  -9.862  -6.746  -3.648
  330    HA   ALA  42           HA       ALA  42 -12.437  -7.255  -4.824
  331   1HB   ALA  42          1HB       ALA  42 -11.228  -8.226  -2.244
  332   2HB   ALA  42          2HB       ALA  42 -12.770  -8.780  -2.896
  333   3HB   ALA  42          3HB       ALA  42 -11.277  -9.079  -3.786
  334    H    CYS  43           HN       CYS  43 -11.394  -5.786  -1.746
  335    HA   CYS  43           HA       CYS  43 -14.072  -5.271  -0.958
  336   1HB   CYS  43          2HB       CYS  43 -13.057  -4.000   0.889
  337   2HB   CYS  43          3HB       CYS  43 -12.394  -5.606   0.714
  338    HG   CYS  43           HG       CYS  43  -9.981  -4.841  -0.320
  339    H    GLY  44           HN       GLY  44 -11.451  -3.098  -2.015
  340   1HA   GLY  44          1HA       GLY  44 -13.470  -1.008  -2.451
  341   2HA   GLY  44          2HA       GLY  44 -11.736  -0.744  -2.322
  342    H    GLU  45           HN       GLU  45 -11.373   0.286  -4.174
  343    HA   GLU  45           HA       GLU  45 -11.979  -1.145  -6.670
  344   1HB   GLU  45          2HB       GLU  45 -11.865   1.826  -6.163
  345   2HB   GLU  45          3HB       GLU  45 -11.877   1.120  -7.773
  346   1HG   GLU  45          2HG       GLU  45 -14.029   0.765  -5.698
  347   2HG   GLU  45          3HG       GLU  45 -14.098   1.868  -7.072
  348    H    ARG  46           HN       ARG  46 -10.360   0.810  -8.164
  349    HA   ARG  46           HA       ARG  46  -8.007  -0.702  -8.241
  350   1HB   ARG  46          2HB       ARG  46  -8.419   2.047  -9.412
  351   2HB   ARG  46          3HB       ARG  46  -7.224   0.860  -9.909
  352   1HG   ARG  46          2HG       ARG  46 -10.209   0.656 -10.223
  353   2HG   ARG  46          3HG       ARG  46  -9.027   0.933 -11.491
  354   1HD   ARG  46          2HD       ARG  46  -9.627  -1.345 -11.648
  355   2HD   ARG  46          3HD       ARG  46  -8.038  -1.315 -10.887
  356    HE   ARG  46           HE       ARG  46  -9.991  -1.324  -8.879
  357   1HH1  ARG  46          2HH1      ARG  46  -8.674  -3.456 -11.329
  358   2HH1  ARG  46          1HH1      ARG  46  -9.151  -4.904 -10.491
  359   1HH2  ARG  46          2HH2      ARG  46 -10.599  -3.240  -7.781
  360   2HH2  ARG  46          1HH2      ARG  46 -10.239  -4.780  -8.500
  361    H    PHE  47           HN       PHE  47  -5.811   0.028  -7.991
  362    HA   PHE  47           HA       PHE  47  -5.349   2.149  -6.053
  363   1HB   PHE  47          2HB       PHE  47  -4.410   0.642  -4.393
  364   2HB   PHE  47          3HB       PHE  47  -6.070   0.185  -4.735
  365    HD1  PHE  47           1HD      PHE  47  -2.542  -0.690  -5.578
  366    HD2  PHE  47           2HD      PHE  47  -6.598  -1.987  -5.329
  367    HE1  PHE  47           1HE      PHE  47  -1.828  -3.002  -6.017
  368    HE2  PHE  47           2HE      PHE  47  -5.885  -4.301  -5.769
  369    HZ   PHE  47           HZ       PHE  47  -3.500  -4.808  -6.118
  370    H    ALA  48           HN       ALA  48  -3.061   2.469  -5.628
  371    HA   ALA  48           HA       ALA  48  -1.402   1.666  -7.907
  372   1HB   ALA  48          1HB       ALA  48   0.051   3.491  -7.385
  373   2HB   ALA  48          2HB       ALA  48  -1.603   4.098  -7.424
  374   3HB   ALA  48          3HB       ALA  48  -0.808   3.805  -5.877
  375    H    TYR  49           HN       TYR  49   0.761   0.910  -7.521
  376    HA   TYR  49           HA       TYR  49   1.213  -0.167  -4.827
  377   1HB   TYR  49          2HB       TYR  49   1.252  -2.391  -5.513
  378   2HB   TYR  49          3HB       TYR  49  -0.054  -1.761  -6.507
  379    HD1  TYR  49           1HD      TYR  49   3.490  -2.677  -6.476
  380    HD2  TYR  49           2HD      TYR  49   0.103  -1.859  -8.896
  381    HE1  TYR  49           1HE      TYR  49   4.729  -3.481  -8.420
  382    HE2  TYR  49           2HE      TYR  49   1.319  -2.685 -10.877
  383    HH   TYR  49           HH       TYR  49   3.219  -3.557 -11.659
  384    H    VAL  50           HN       VAL  50   3.442  -0.803  -4.495
  385    HA   VAL  50           HA       VAL  50   5.337   0.119  -6.558
  386    HB   VAL  50           HB       VAL  50   5.580   0.698  -3.591
  387   1HG1  VAL  50          1HG1      VAL  50   7.418   0.954  -5.890
  388   2HG1  VAL  50          2HG1      VAL  50   7.387   2.307  -4.758
  389   3HG1  VAL  50          3HG1      VAL  50   7.759   0.683  -4.180
  390   1HG2  VAL  50          1HG2      VAL  50   4.500   2.292  -5.846
  391   2HG2  VAL  50          2HG2      VAL  50   4.070   2.303  -4.134
  392   3HG2  VAL  50          3HG2      VAL  50   5.526   3.138  -4.685
  393    H    ASP  51           HN       ASP  51   6.952  -1.265  -6.917
  394    HA   ASP  51           HA       ASP  51   7.116  -3.679  -5.379
  395   1HB   ASP  51          2HB       ASP  51   9.003  -4.268  -6.889
  396   2HB   ASP  51          3HB       ASP  51   7.502  -3.910  -7.724
  397    H    ILE  52           HN       ILE  52   8.459  -4.175  -3.807
  398    HA   ILE  52           HA       ILE  52  10.804  -2.564  -3.294
  399    HB   ILE  52           HB       ILE  52   9.979  -2.546  -0.771
  400   1HG1  ILE  52          2HG1      ILE  52   7.585  -1.691  -0.832
  401   2HG1  ILE  52          3HG1      ILE  52   7.496  -2.396  -2.444
  402   1HG2  ILE  52          1HG2      ILE  52   8.855  -0.234  -1.995
  403   2HG2  ILE  52          2HG2      ILE  52  10.356  -0.404  -1.084
  404   3HG2  ILE  52          3HG2      ILE  52  10.346  -0.685  -2.828
  405   1HD1  ILE  52          1HD1      ILE  52   8.476  -4.187  -0.353
  406   2HD1  ILE  52          2HD1      ILE  52   6.799  -3.666  -0.191
  407   3HD1  ILE  52          3HD1      ILE  52   7.334  -4.473  -1.664
  408    H    LEU  53           HN       LEU  53   8.900  -5.441  -2.477
  409    HA   LEU  53           HA       LEU  53  11.125  -6.675  -1.130
  410   1HB   LEU  53          2HB       LEU  53   8.779  -7.980  -2.504
  411   2HB   LEU  53          3HB       LEU  53  10.033  -8.851  -1.656
  412    HG   LEU  53           HG       LEU  53   8.458  -8.826  -0.037
  413   1HD1  LEU  53          1HD1      LEU  53  10.267  -7.806   1.025
  414   2HD1  LEU  53          2HD1      LEU  53   9.910  -6.238   0.299
  415   3HD1  LEU  53          3HD1      LEU  53   8.839  -6.903   1.533
  416   1HD2  LEU  53          1HD2      LEU  53   6.733  -7.694  -1.300
  417   2HD2  LEU  53          2HD2      LEU  53   6.808  -7.068   0.351
  418   3HD2  LEU  53          3HD2      LEU  53   7.498  -6.135  -0.977
  419    H    GLN  54           HN       GLN  54  10.518  -5.667  -4.233
  420    HA   GLN  54           HA       GLN  54  12.361  -7.577  -5.449
  421   1HB   GLN  54          2HB       GLN  54  10.231  -7.183  -6.630
  422   2HB   GLN  54          3HB       GLN  54  10.602  -5.466  -6.721
  423   1HG   GLN  54          2HG       GLN  54  12.478  -7.443  -7.939
  424   2HG   GLN  54          3HG       GLN  54  10.990  -7.017  -8.773
  425   1HE2  GLN  54          1HE2      GLN  54  11.531  -4.296  -7.263
  426   2HE2  GLN  54          2HE2      GLN  54  12.573  -3.473  -8.360
  427    H    ASN  55           HN       ASN  55  11.955  -4.048  -4.928
  428    HA   ASN  55           HA       ASN  55  14.664  -3.500  -5.857
  429   1HB   ASN  55          2HB       ASN  55  12.622  -1.693  -4.538
  430   2HB   ASN  55          3HB       ASN  55  14.202  -1.168  -5.099
  431   1HD2  ASN  55          1HD2      ASN  55  11.084  -1.083  -5.828
  432   2HD2  ASN  55          2HD2      ASN  55  11.153  -1.028  -7.554
  433    HA   PRO  56           HA       PRO  56  16.257  -4.583  -1.824
  434   1HB   PRO  56          2HB       PRO  56  18.827  -3.758  -2.322
  435   2HB   PRO  56          3HB       PRO  56  18.175  -5.332  -2.788
  436   1HG   PRO  56          2HG       PRO  56  18.536  -2.863  -4.430
  437   2HG   PRO  56          3HG       PRO  56  18.815  -4.556  -4.877
  438   1HD   PRO  56          2HD       PRO  56  16.614  -3.207  -5.653
  439   2HD   PRO  56          3HD       PRO  56  16.575  -4.945  -5.288
  440    H    ASP  57           HN       ASP  57  17.177  -1.490  -3.328
  441    HA   ASP  57           HA       ASP  57  17.996  -0.306  -0.883
  442   1HB   ASP  57          2HB       ASP  57  18.836   0.364  -3.114
  443   2HB   ASP  57          3HB       ASP  57  17.250   1.011  -3.505
  444    H    ILE  58           HN       ILE  58  15.126   0.285  -2.898
  445    HA   ILE  58           HA       ILE  58  13.941   2.151  -1.170
  446    HB   ILE  58           HB       ILE  58  12.501   0.301  -3.088
  447   1HG1  ILE  58          2HG1      ILE  58  13.726   3.032  -3.576
  448   2HG1  ILE  58          3HG1      ILE  58  14.352   1.507  -4.193
  449   1HG2  ILE  58          1HG2      ILE  58  10.692   1.736  -2.992
  450   2HG2  ILE  58          2HG2      ILE  58  11.259   1.771  -1.322
  451   3HG2  ILE  58          3HG2      ILE  58  11.662   3.093  -2.418
  452   1HD1  ILE  58          1HD1      ILE  58  12.457   1.221  -5.605
  453   2HD1  ILE  58          2HD1      ILE  58  11.629   2.588  -4.863
  454   3HD1  ILE  58          3HD1      ILE  58  13.069   2.856  -5.843
  455    H    ARG  59           HN       ARG  59  13.817  -1.327  -1.314
  456    HA   ARG  59           HA       ARG  59  11.672  -1.981   0.270
  457   1HB   ARG  59          2HB       ARG  59  13.072  -3.577  -0.967
  458   2HB   ARG  59          3HB       ARG  59  14.371  -3.328   0.186
  459   1HG   ARG  59          2HG       ARG  59  12.959  -4.261   1.961
  460   2HG   ARG  59          3HG       ARG  59  11.681  -4.546   0.774
  461   1HD   ARG  59          2HD       ARG  59  12.923  -6.585   1.120
  462   2HD   ARG  59          3HD       ARG  59  13.237  -5.974  -0.504
  463    HE   ARG  59           HE       ARG  59  15.192  -5.035   1.337
  464   1HH1  ARG  59          2HH1      ARG  59  14.244  -7.861  -0.507
  465   2HH1  ARG  59          1HH1      ARG  59  15.834  -8.561  -0.500
  466   1HH2  ARG  59          2HH2      ARG  59  17.298  -5.962   1.338
  467   2HH2  ARG  59          1HH2      ARG  59  17.558  -7.479   0.525
  468    H    ALA  60           HN       ALA  60  14.838  -0.834   1.307
  469    HA   ALA  60           HA       ALA  60  14.442  -1.869   3.936
  470   1HB   ALA  60          1HB       ALA  60  16.694  -0.270   4.019
  471   2HB   ALA  60          2HB       ALA  60  16.642  -2.003   3.685
  472   3HB   ALA  60          3HB       ALA  60  16.636  -0.846   2.352
  473    H    GLU  61           HN       GLU  61  14.568   1.302   2.498
  474    HA   GLU  61           HA       GLU  61  15.017   2.549   4.911
  475   1HB   GLU  61          2HB       GLU  61  15.724   3.228   2.621
  476   2HB   GLU  61          3HB       GLU  61  14.090   3.842   2.369
  477   1HG   GLU  61          2HG       GLU  61  15.609   5.583   2.980
  478   2HG   GLU  61          3HG       GLU  61  14.357   5.361   4.196
  479    H    LEU  62           HN       LEU  62  12.059   3.043   2.891
  480    HA   LEU  62           HA       LEU  62  10.867   4.622   4.905
  481   1HB   LEU  62          2HB       LEU  62   8.807   4.601   3.655
  482   2HB   LEU  62          3HB       LEU  62  10.184   4.948   2.623
  483    HG   LEU  62           HG       LEU  62   9.016   2.180   2.778
  484   1HD1  LEU  62          1HD1      LEU  62   7.941   4.609   1.484
  485   2HD1  LEU  62          2HD1      LEU  62   7.988   3.141   0.502
  486   3HD1  LEU  62          3HD1      LEU  62   7.112   3.149   2.033
  487   1HD2  LEU  62          1HD2      LEU  62  11.022   3.616   1.214
  488   2HD2  LEU  62          2HD2      LEU  62  10.834   1.886   1.502
  489   3HD2  LEU  62          3HD2      LEU  62   9.884   2.678   0.247
  490    HA   PRO  63           HA       PRO  63   8.242   0.581   5.886
  491   1HB   PRO  63          2HB       PRO  63   9.993  -1.467   6.485
  492   2HB   PRO  63          3HB       PRO  63   9.075  -1.342   4.980
  493   1HG   PRO  63          2HG       PRO  63  11.897  -0.529   5.548
  494   2HG   PRO  63          3HG       PRO  63  11.240  -1.391   4.140
  495   1HD   PRO  63          2HD       PRO  63  11.784   1.201   3.983
  496   2HD   PRO  63          3HD       PRO  63  10.303   0.554   3.244
  497    H    LYS  64           HN       LYS  64  11.574   0.958   6.972
  498    HA   LYS  64           HA       LYS  64  11.257   0.476   9.702
  499   1HB   LYS  64          2HB       LYS  64  13.142   2.368   8.299
  500   2HB   LYS  64          3HB       LYS  64  13.304   1.826   9.965
  501   1HG   LYS  64          2HG       LYS  64  13.585  -0.460   9.221
  502   2HG   LYS  64          3HG       LYS  64  13.358   0.036   7.543
  503   1HD   LYS  64          2HD       LYS  64  15.583   0.887   9.393
  504   2HD   LYS  64          3HD       LYS  64  15.722  -0.229   8.032
  505   1HE   LYS  64          2HE       LYS  64  14.987   1.623   6.531
  506   2HE   LYS  64          3HE       LYS  64  15.044   2.709   7.916
  507   1HZ   LYS  64          1HZ       LYS  64  17.390   1.148   6.998
  508   2HZ   LYS  64          2HZ       LYS  64  17.368   2.450   8.088
  509   3HZ   LYS  64          3HZ       LYS  64  17.046   2.713   6.441
  510    H    TYR  65           HN       TYR  65  10.768   3.315   7.748
  511    HA   TYR  65           HA       TYR  65  10.216   5.125   9.849
  512   1HB   TYR  65          2HB       TYR  65  10.434   6.511   8.117
  513   2HB   TYR  65          3HB       TYR  65  10.377   5.169   6.995
  514    HD1  TYR  65           1HD      TYR  65   9.128   5.828   5.184
  515    HD2  TYR  65           2HD      TYR  65   7.669   6.751   9.085
  516    HE1  TYR  65           1HE      TYR  65   7.078   6.787   4.177
  517    HE2  TYR  65           2HE      TYR  65   5.611   7.656   8.094
  518    HH   TYR  65           HH       TYR  65   5.173   7.902   4.612
  519    H    ALA  66           HN       ALA  66   8.060   3.197   7.688
  520    HA   ALA  66           HA       ALA  66   5.743   4.298   8.863
  521   1HB   ALA  66          1HB       ALA  66   5.935   3.332   6.598
  522   2HB   ALA  66          2HB       ALA  66   5.953   1.727   7.333
  523   3HB   ALA  66          3HB       ALA  66   4.537   2.763   7.510
  524    H    ASN  67           HN       ASN  67   7.030   0.968   9.167
  525    HA   ASN  67           HA       ASN  67   6.870   0.896  11.913
  526   1HB   ASN  67          2HB       ASN  67   4.428   0.909  11.695
  527   2HB   ASN  67          3HB       ASN  67   4.499  -0.516  10.665
  528   1HD2  ASN  67          1HD2      ASN  67   3.826  -2.226  11.710
  529   2HD2  ASN  67          2HD2      ASN  67   4.149  -2.622  13.362
  530    H    TRP  68           HN       TRP  68   6.169  -1.171   9.187
  531    HA   TRP  68           HA       TRP  68   7.260  -3.574  10.023
  532   1HB   TRP  68          2HB       TRP  68   6.729  -2.360   7.331
  533   2HB   TRP  68          3HB       TRP  68   7.508  -3.933   7.461
  534    HD1  TRP  68           1HD      TRP  68   5.887  -5.742   6.995
  535    HE1  TRP  68           1HE      TRP  68   3.403  -6.222   7.438
  536    HE3  TRP  68           3HE      TRP  68   4.632  -1.432   9.443
  537    HZ2  TRP  68           2HZ      TRP  68   1.212  -4.969   8.674
  538    HZ3  TRP  68           3HZ      TRP  68   2.316  -1.155  10.220
  539    HH2  TRP  68           2HH      TRP  68   0.641  -2.885   9.841
  540    HA   PRO  69           HA       PRO  69  11.715  -3.167   9.403
  541   1HB   PRO  69          2HB       PRO  69  11.724  -5.932   8.448
  542   2HB   PRO  69          3HB       PRO  69  12.468  -5.259   9.901
  543   1HG   PRO  69          2HG       PRO  69  10.333  -6.920   9.994
  544   2HG   PRO  69          3HG       PRO  69  10.599  -5.639  11.191
  545   1HD   PRO  69          2HD       PRO  69   8.756  -5.678   8.831
  546   2HD   PRO  69          3HD       PRO  69   8.474  -5.051  10.468
  547    H    THR  70           HN       THR  70   9.611  -4.774   7.144
  548    HA   THR  70           HA       THR  70  10.742  -3.312   4.898
  549    HB   THR  70           HB       THR  70  10.662  -5.364   3.463
  550    HG1  THR  70           1HG      THR  70  11.033  -7.227   5.319
  551   1HG2  THR  70          1HG2      THR  70  12.848  -4.852   3.937
  552   2HG2  THR  70          2HG2      THR  70  12.744  -6.446   4.684
  553   3HG2  THR  70          3HG2      THR  70  12.618  -4.994   5.683
  554    H    PHE  71           HN       PHE  71   8.812  -5.669   3.624
  555    HA   PHE  71           HA       PHE  71   6.300  -4.333   4.329
  556   1HB   PHE  71          2HB       PHE  71   7.196  -4.745   1.457
  557   2HB   PHE  71          3HB       PHE  71   5.694  -4.002   1.983
  558    HD1  PHE  71           1HD      PHE  71   5.572  -1.683   2.281
  559    HD2  PHE  71           2HD      PHE  71   9.377  -3.572   2.062
  560    HE1  PHE  71           1HE      PHE  71   6.658   0.523   2.200
  561    HE2  PHE  71           2HE      PHE  71  10.463  -1.379   1.978
  562    HZ   PHE  71           HZ       PHE  71   9.102   0.671   2.034
  563    HA   PRO  72           HA       PRO  72   4.746  -5.020   1.469
  564   1HB   PRO  72          2HB       PRO  72   2.202  -5.959   1.561
  565   2HB   PRO  72          3HB       PRO  72   3.441  -6.630   0.494
  566   1HG   PRO  72          2HG       PRO  72   2.482  -7.624   3.147
  567   2HG   PRO  72          3HG       PRO  72   2.822  -8.540   1.667
  568   1HD   PRO  72          2HD       PRO  72   4.561  -8.430   3.724
  569   2HD   PRO  72          3HD       PRO  72   5.096  -8.539   2.036
  570    H    GLN  73           HN       GLN  73   3.396  -3.271   1.745
  571    HA   GLN  73           HA       GLN  73   1.957  -2.957   4.271
  572   1HB   GLN  73          2HB       GLN  73   3.851  -0.824   3.273
  573   2HB   GLN  73          3HB       GLN  73   2.839  -0.761   4.699
  574   1HG   GLN  73          2HG       GLN  73   4.167  -2.551   5.711
  575   2HG   GLN  73          3HG       GLN  73   5.219  -2.541   4.290
  576   1HE2  GLN  73          1HE2      GLN  73   4.941  -1.424   7.347
  577   2HE2  GLN  73          2HE2      GLN  73   5.939  -0.019   7.241
  578    H    LEU  74           HN       LEU  74   0.117  -1.883   3.985
  579    HA   LEU  74           HA       LEU  74  -0.485  -0.785   1.337
  580   1HB   LEU  74          2HB       LEU  74  -1.890  -2.603   2.188
  581   2HB   LEU  74          3HB       LEU  74  -2.279  -1.658   3.604
  582    HG   LEU  74           HG       LEU  74  -4.098  -1.806   1.889
  583   1HD1  LEU  74          1HD1      LEU  74  -3.928   0.988   1.750
  584   2HD1  LEU  74          2HD1      LEU  74  -4.822   0.011   2.915
  585   3HD1  LEU  74          3HD1      LEU  74  -3.171   0.516   3.271
  586   1HD2  LEU  74          1HD2      LEU  74  -3.919  -0.973  -0.210
  587   2HD2  LEU  74          2HD2      LEU  74  -2.700   0.219   0.244
  588   3HD2  LEU  74          3HD2      LEU  74  -2.246  -1.473   0.039
  589    H    TRP  75           HN       TRP  75  -0.962   1.323   1.063
  590    HA   TRP  75           HA       TRP  75  -1.107   3.043   3.461
  591   1HB   TRP  75          2HB       TRP  75   0.171   3.655   0.800
  592   2HB   TRP  75          3HB       TRP  75  -0.008   4.795   2.117
  593    HD1  TRP  75           1HD      TRP  75   1.795   1.407   1.456
  594    HE1  TRP  75           1HE      TRP  75   3.963   1.406   2.856
  595    HE3  TRP  75           3HE      TRP  75   1.154   5.805   3.944
  596    HZ2  TRP  75           2HZ      TRP  75   5.213   3.049   4.762
  597    HZ3  TRP  75           3HZ      TRP  75   2.910   6.528   5.547
  598    HH2  TRP  75           2HH      TRP  75   4.878   5.163   5.938
  599    H    VAL  76           HN       VAL  76  -2.912   4.161   3.606
  600    HA   VAL  76           HA       VAL  76  -4.620   4.516   1.221
  601    HB   VAL  76           HB       VAL  76  -5.366   4.721   4.154
  602   1HG1  VAL  76          1HG1      VAL  76  -6.954   6.037   3.191
  603   2HG1  VAL  76          2HG1      VAL  76  -6.860   5.208   1.638
  604   3HG1  VAL  76          3HG1      VAL  76  -7.719   4.458   2.985
  605   1HG2  VAL  76          1HG2      VAL  76  -6.170   2.568   2.220
  606   2HG2  VAL  76          2HG2      VAL  76  -4.807   2.421   3.330
  607   3HG2  VAL  76          3HG2      VAL  76  -6.442   2.621   3.962
  608    H    ASP  77           HN       ASP  77  -4.523   6.544   0.353
  609    HA   ASP  77           HA       ASP  77  -4.156   8.799   0.131
  610   1HB   ASP  77          2HB       ASP  77  -6.161   8.806   1.560
  611   2HB   ASP  77          3HB       ASP  77  -5.126   8.733   2.975
  612    H    GLY  78           HN       GLY  78  -2.169   6.981   1.072
  613   1HA   GLY  78          1HA       GLY  78   0.116   7.129   1.404
  614   2HA   GLY  78          2HA       GLY  78  -0.080   8.846   1.687
  615    H    GLU  79           HN       GLU  79  -1.889   6.457   3.485
  616    HA   GLU  79           HA       GLU  79  -0.135   6.891   5.794
  617   1HB   GLU  79          2HB       GLU  79  -3.147   6.773   5.823
  618   2HB   GLU  79          3HB       GLU  79  -2.132   6.777   7.259
  619   1HG   GLU  79          2HG       GLU  79  -1.278   8.980   6.654
  620   2HG   GLU  79          3HG       GLU  79  -2.288   8.977   5.210
  621    H    LEU  80           HN       LEU  80   0.547   5.117   6.794
  622    HA   LEU  80           HA       LEU  80   0.155   2.618   5.560
  623   1HB   LEU  80          2HB       LEU  80   2.248   3.141   6.620
  624   2HB   LEU  80          3HB       LEU  80   1.460   3.367   8.177
  625    HG   LEU  80           HG       LEU  80   0.800   0.933   8.061
  626   1HD1  LEU  80          1HD1      LEU  80   2.483   1.134   5.626
  627   2HD1  LEU  80          2HD1      LEU  80   2.541  -0.344   6.589
  628   3HD1  LEU  80          3HD1      LEU  80   1.007   0.211   5.914
  629   1HD2  LEU  80          1HD2      LEU  80   2.449   0.878   9.540
  630   2HD2  LEU  80          2HD2      LEU  80   3.537   0.460   8.215
  631   3HD2  LEU  80          3HD2      LEU  80   3.331   2.147   8.690
  632    H    VAL  81           HN       VAL  81  -1.225   1.083   5.847
  633    HA   VAL  81           HA       VAL  81  -2.824   0.985   8.321
  634    HB   VAL  81           HB       VAL  81  -3.405  -0.257   5.618
  635   1HG1  VAL  81          1HG1      VAL  81  -5.474  -0.184   7.730
  636   2HG1  VAL  81          2HG1      VAL  81  -5.164  -1.395   6.486
  637   3HG1  VAL  81          3HG1      VAL  81  -4.168  -1.350   7.940
  638   1HG2  VAL  81          1HG2      VAL  81  -4.027   1.914   5.276
  639   2HG2  VAL  81          2HG2      VAL  81  -5.512   1.289   5.997
  640   3HG2  VAL  81          3HG2      VAL  81  -4.368   2.203   6.982
  641    H    GLY  82           HN       GLY  82  -1.327  -1.105   5.866
  642   1HA   GLY  82          1HA       GLY  82   0.455  -2.619   7.098
  643   2HA   GLY  82          2HA       GLY  82  -1.022  -3.293   7.778
  644    H    GLY  83           HN       GLY  83   1.132  -4.200   5.668
  645   1HA   GLY  83          1HA       GLY  83  -0.380  -4.175   3.261
  646   2HA   GLY  83          2HA       GLY  83   1.189  -4.909   3.483
  647    H    CYS  84           HN       CYS  84   1.002  -7.135   4.814
  648    HA   CYS  84           HA       CYS  84  -0.678  -8.635   3.064
  649   1HB   CYS  84          2HB       CYS  84   0.367 -10.646   4.107
  650   2HB   CYS  84          3HB       CYS  84   1.510  -9.474   3.462
  651    HG   CYS  84           HG       CYS  84   0.999 -10.426   6.652
  652    H    ASP  85           HN       ASP  85  -0.435  -8.971   6.611
  653    HA   ASP  85           HA       ASP  85  -2.893 -10.386   6.782
  654   1HB   ASP  85          2HB       ASP  85  -1.302  -9.005   8.957
  655   2HB   ASP  85          3HB       ASP  85  -2.660 -10.086   9.238
  656    H    ILE  86           HN       ILE  86  -1.968  -7.102   7.599
  657    HA   ILE  86           HA       ILE  86  -4.328  -6.343   8.800
  658    HB   ILE  86           HB       ILE  86  -2.465  -4.543   7.242
  659   1HG1  ILE  86          2HG1      ILE  86  -1.267  -5.875   8.930
  660   2HG1  ILE  86          3HG1      ILE  86  -1.336  -4.178   9.394
  661   1HG2  ILE  86          1HG2      ILE  86  -4.871  -3.848   8.154
  662   2HG2  ILE  86          2HG2      ILE  86  -3.951  -3.644   9.645
  663   3HG2  ILE  86          3HG2      ILE  86  -3.490  -2.748   8.196
  664   1HD1  ILE  86          1HD1      ILE  86  -2.356  -4.670  11.296
  665   2HD1  ILE  86          2HD1      ILE  86  -3.569  -5.652  10.473
  666   3HD1  ILE  86          3HD1      ILE  86  -2.025  -6.366  10.945
  667    H    VAL  87           HN       VAL  87  -3.415  -6.034   5.366
  668    HA   VAL  87           HA       VAL  87  -5.761  -4.757   4.505
  669    HB   VAL  87           HB       VAL  87  -3.891  -6.596   3.012
  670   1HG1  VAL  87          1HG1      VAL  87  -5.022  -6.192   1.003
  671   2HG1  VAL  87          2HG1      VAL  87  -6.318  -6.541   2.147
  672   3HG1  VAL  87          3HG1      VAL  87  -5.968  -4.874   1.693
  673   1HG2  VAL  87          1HG2      VAL  87  -4.236  -3.641   3.283
  674   2HG2  VAL  87          2HG2      VAL  87  -2.767  -4.614   3.390
  675   3HG2  VAL  87          3HG2      VAL  87  -3.520  -4.322   1.821
  676    H    ILE  88           HN       ILE  88  -4.987  -8.250   4.675
  677    HA   ILE  88           HA       ILE  88  -7.414  -9.135   3.626
  678    HB   ILE  88           HB       ILE  88  -5.642 -10.488   5.660
  679   1HG1  ILE  88          2HG1      ILE  88  -4.611 -10.074   3.454
  680   2HG1  ILE  88          3HG1      ILE  88  -4.859 -11.796   3.740
  681   1HG2  ILE  88          1HG2      ILE  88  -7.002 -12.286   5.736
  682   2HG2  ILE  88          2HG2      ILE  88  -8.251 -11.144   5.242
  683   3HG2  ILE  88          3HG2      ILE  88  -7.449 -12.151   4.036
  684   1HD1  ILE  88          1HD1      ILE  88  -6.428  -9.967   1.955
  685   2HD1  ILE  88          2HD1      ILE  88  -5.474 -11.385   1.509
  686   3HD1  ILE  88          3HD1      ILE  88  -6.982 -11.581   2.405
  687    H    GLU  89           HN       GLU  89  -6.537  -8.736   7.086
  688    HA   GLU  89           HA       GLU  89  -9.129  -9.491   7.929
  689   1HB   GLU  89          2HB       GLU  89  -7.170  -9.530   9.448
  690   2HB   GLU  89          3HB       GLU  89  -7.149  -7.768   9.454
  691   1HG   GLU  89          2HG       GLU  89  -9.397  -7.748  10.421
  692   2HG   GLU  89          3HG       GLU  89  -9.405  -9.508  10.431
  693    H    MET  90           HN       MET  90  -7.688  -6.244   7.475
  694    HA   MET  90           HA       MET  90  -9.962  -4.785   8.255
  695   1HB   MET  90          2HB       MET  90  -7.738  -4.074   6.351
  696   2HB   MET  90          3HB       MET  90  -9.009  -2.947   6.807
  697   1HG   MET  90          2HG       MET  90  -7.051  -4.262   8.677
  698   2HG   MET  90          3HG       MET  90  -7.006  -2.588   8.123
  699   1HE   MET  90          1HE       MET  90  -6.759  -3.348  11.012
  700   2HE   MET  90          2HE       MET  90  -7.063  -1.622  10.814
  701   3HE   MET  90          3HE       MET  90  -8.010  -2.556  11.970
  702    H    TYR  91           HN       TYR  91  -9.088  -6.262   5.224
  703    HA   TYR  91           HA       TYR  91 -11.167  -5.285   3.596
  704   1HB   TYR  91          2HB       TYR  91  -9.691  -6.423   2.292
  705   2HB   TYR  91          3HB       TYR  91  -9.200  -7.471   3.613
  706    HD1  TYR  91           1HD      TYR  91  -9.947  -9.620   3.782
  707    HD2  TYR  91           2HD      TYR  91 -11.800  -7.040   0.982
  708    HE1  TYR  91           1HE      TYR  91 -11.086 -11.540   2.832
  709    HE2  TYR  91           2HE      TYR  91 -12.971  -8.942  -0.019
  710    HH   TYR  91           HH       TYR  91 -12.642 -12.230   1.351
  711    H    GLN  92           HN       GLN  92 -10.916  -8.138   5.646
  712    HA   GLN  92           HA       GLN  92 -13.505  -9.158   5.269
  713   1HB   GLN  92          2HB       GLN  92 -11.589  -9.427   7.569
  714   2HB   GLN  92          3HB       GLN  92 -13.029 -10.420   7.332
  715   1HG   GLN  92          2HG       GLN  92 -10.965 -10.172   5.197
  716   2HG   GLN  92          3HG       GLN  92 -10.774 -11.301   6.495
  717   1HE2  GLN  92          1HE2      GLN  92 -11.230 -13.225   5.923
  718   2HE2  GLN  92          2HE2      GLN  92 -12.518 -13.702   4.893
  719    H    ARG  93           HN       ARG  93 -12.126  -6.986   7.664
  720    HA   ARG  93           HA       ARG  93 -14.379  -6.615   9.316
  721   1HB   ARG  93          2HB       ARG  93 -12.103  -4.696   8.752
  722   2HB   ARG  93          3HB       ARG  93 -13.176  -4.649  10.142
  723   1HG   ARG  93          2HG       ARG  93 -11.332  -6.930   9.495
  724   2HG   ARG  93          3HG       ARG  93 -10.953  -5.624  10.622
  725   1HD   ARG  93          2HD       ARG  93 -13.383  -7.381  10.907
  726   2HD   ARG  93          3HD       ARG  93 -11.833  -7.761  11.658
  727    HE   ARG  93           HE       ARG  93 -13.740  -5.808  12.520
  728   1HH1  ARG  93          2HH1      ARG  93 -10.350  -6.708  12.566
  729   2HH1  ARG  93          1HH1      ARG  93  -9.936  -5.601  13.840
  730   1HH2  ARG  93          2HH2      ARG  93 -13.186  -4.339  14.195
  731   2HH2  ARG  93          1HH2      ARG  93 -11.544  -4.266  14.764
  732    H    GLY  94           HN       GLY  94 -13.324  -5.091   6.354
  733   1HA   GLY  94          1HA       GLY  94 -14.788  -4.001   4.832
  734   2HA   GLY  94          2HA       GLY  94 -15.889  -3.674   6.165
  735    H    GLU  95           HN       GLU  95 -13.551  -2.812   7.844
  736    HA   GLU  95           HA       GLU  95 -13.780  -0.077   7.498
  737   1HB   GLU  95          2HB       GLU  95 -11.550  -1.619   8.823
  738   2HB   GLU  95          3HB       GLU  95 -11.817   0.111   9.000
  739   1HG   GLU  95          2HG       GLU  95 -14.034  -0.357   9.971
  740   2HG   GLU  95          3HG       GLU  95 -13.698  -2.082   9.846
  741    H    LEU  96           HN       LEU  96 -11.413  -2.260   6.089
  742    HA   LEU  96           HA       LEU  96  -9.558  -0.345   5.192
  743   1HB   LEU  96          2HB       LEU  96  -9.068  -2.739   5.235
  744   2HB   LEU  96          3HB       LEU  96 -10.258  -3.015   3.978
  745    HG   LEU  96           HG       LEU  96  -8.893  -1.640   2.428
  746   1HD1  LEU  96          1HD1      LEU  96  -6.681  -0.956   3.004
  747   2HD1  LEU  96          2HD1      LEU  96  -7.781  -0.311   4.222
  748   3HD1  LEU  96          3HD1      LEU  96  -6.798  -1.727   4.585
  749   1HD2  LEU  96          1HD2      LEU  96  -7.618  -3.412   1.817
  750   2HD2  LEU  96          2HD2      LEU  96  -7.017  -3.687   3.450
  751   3HD2  LEU  96          3HD2      LEU  96  -8.636  -4.226   3.006
  752    H    GLN  97           HN       GLN  97 -12.154  -1.946   3.423
  753    HA   GLN  97           HA       GLN  97 -11.928  -0.368   1.097
  754   1HB   GLN  97          2HB       GLN  97 -14.246  -1.206   0.580
  755   2HB   GLN  97          3HB       GLN  97 -13.026  -2.440   0.829
  756   1HG   GLN  97          2HG       GLN  97 -13.869  -2.775   3.113
  757   2HG   GLN  97          3HG       GLN  97 -15.110  -1.560   2.813
  758   1HE2  GLN  97          1HE2      GLN  97 -14.601  -4.766   2.972
  759   2HE2  GLN  97          2HE2      GLN  97 -15.841  -5.331   1.904
  760    H    GLN  98           HN       GLN  98 -13.461   0.127   4.116
  761    HA   GLN  98           HA       GLN  98 -15.199   2.264   3.410
  762   1HB   GLN  98          2HB       GLN  98 -13.881   1.438   5.989
  763   2HB   GLN  98          3HB       GLN  98 -14.894   2.858   5.886
  764   1HG   GLN  98          2HG       GLN  98 -15.733   0.031   5.310
  765   2HG   GLN  98          3HG       GLN  98 -16.130   0.968   6.750
  766   1HE2  GLN  98          1HE2      GLN  98 -17.470  -0.176   4.084
  767   2HE2  GLN  98          2HE2      GLN  98 -18.626   1.069   3.743
  768    H    LEU  99           HN       LEU  99 -11.885   2.073   4.602
  769    HA   LEU  99           HA       LEU  99 -11.380   4.869   4.568
  770   1HB   LEU  99          2HB       LEU  99  -9.363   2.636   4.272
  771   2HB   LEU  99          3HB       LEU  99  -9.056   4.262   4.847
  772    HG   LEU  99           HG       LEU  99 -10.639   2.121   6.269
  773   1HD1  LEU  99          1HD1      LEU  99  -7.971   3.385   6.900
  774   2HD1  LEU  99          2HD1      LEU  99  -8.819   2.206   7.900
  775   3HD1  LEU  99          3HD1      LEU  99  -8.233   1.748   6.300
  776   1HD2  LEU  99          1HD2      LEU  99 -11.638   4.248   6.764
  777   2HD2  LEU  99          2HD2      LEU  99 -10.668   3.762   8.154
  778   3HD2  LEU  99          3HD2      LEU  99 -10.060   4.985   7.039
  779    H    ILE 100           HN       ILE 100 -10.748   2.216   2.321
  780    HA   ILE 100           HA       ILE 100  -9.339   3.693   0.404
  781    HB   ILE 100           HB       ILE 100 -11.102   1.285  -0.089
  782   1HG1  ILE 100          2HG1      ILE 100  -9.338   0.810   1.548
  783   2HG1  ILE 100          3HG1      ILE 100  -9.018  -0.014   0.027
  784   1HG2  ILE 100          1HG2      ILE 100 -10.606   1.482  -2.245
  785   2HG2  ILE 100          2HG2      ILE 100  -9.779   3.005  -1.903
  786   3HG2  ILE 100          3HG2      ILE 100  -8.882   1.485  -1.871
  787   1HD1  ILE 100          1HD1      ILE 100  -7.541   2.064  -0.474
  788   2HD1  ILE 100          2HD1      ILE 100  -7.581   2.275   1.276
  789   3HD1  ILE 100          3HD1      ILE 100  -6.943   0.785   0.583
  790    H    LYS 101           HN       LYS 101 -12.837   3.004   0.651
  791    HA   LYS 101           HA       LYS 101 -13.593   4.221  -1.735
  792   1HB   LYS 101          2HB       LYS 101 -15.143   2.853  -0.438
  793   2HB   LYS 101          3HB       LYS 101 -15.143   4.054   0.855
  794   1HG   LYS 101          2HG       LYS 101 -16.053   5.700  -0.691
  795   2HG   LYS 101          3HG       LYS 101 -16.093   4.487  -1.956
  796   1HD   LYS 101          2HD       LYS 101 -18.294   4.724  -1.026
  797   2HD   LYS 101          3HD       LYS 101 -17.643   3.152  -0.561
  798   1HE   LYS 101          2HE       LYS 101 -17.106   3.972   1.638
  799   2HE   LYS 101          3HE       LYS 101 -17.576   5.610   1.183
  800   1HZ   LYS 101          1HZ       LYS 101 -19.724   3.904   0.629
  801   2HZ   LYS 101          2HZ       LYS 101 -19.637   5.147   1.783
  802   3HZ   LYS 101          3HZ       LYS 101 -19.198   3.568   2.211
  803    H    GLU 102           HN       GLU 102 -13.569   5.584   1.535
  804    HA   GLU 102           HA       GLU 102 -14.467   8.123   0.869
  805   1HB   GLU 102          2HB       GLU 102 -14.364   7.337   3.164
  806   2HB   GLU 102          3HB       GLU 102 -12.610   7.261   3.094
  807   1HG   GLU 102          2HG       GLU 102 -12.476   9.662   2.908
  808   2HG   GLU 102          3HG       GLU 102 -14.234   9.780   2.848
  809    H    THR 103           HN       THR 103 -11.199   6.839   0.986
  810    HA   THR 103           HA       THR 103  -9.902   9.275   0.283
  811    HB   THR 103           HB       THR 103  -8.904   6.438   0.064
  812    HG1  THR 103           1HG      THR 103  -9.413   6.801   2.194
  813   1HG2  THR 103          1HG2      THR 103  -6.694   7.434   0.209
  814   2HG2  THR 103          2HG2      THR 103  -7.416   9.045   0.253
  815   3HG2  THR 103          3HG2      THR 103  -7.568   8.047  -1.196
  816    H    ALA 104           HN       ALA 104 -10.661   6.314  -1.556
  817    HA   ALA 104           HA       ALA 104  -9.538   7.120  -3.984
  818   1HB   ALA 104          1HB       ALA 104 -11.523   5.071  -3.171
  819   2HB   ALA 104          2HB       ALA 104 -11.378   5.452  -4.887
  820   3HB   ALA 104          3HB       ALA 104  -9.970   4.887  -3.987
  821    H    ALA 105           HN       ALA 105 -12.891   7.423  -2.820
  822    HA   ALA 105           HA       ALA 105 -13.916   8.511  -5.198
  823   1HB   ALA 105          1HB       ALA 105 -15.039   9.049  -2.467
  824   2HB   ALA 105          2HB       ALA 105 -15.887   9.007  -4.014
  825   3HB   ALA 105          3HB       ALA 105 -15.249   7.516  -3.318
  826    H    LYS 106           HN       LYS 106 -12.283  10.054  -2.490
  827    HA   LYS 106           HA       LYS 106 -13.066  12.644  -3.430
  828   1HB   LYS 106          2HB       LYS 106 -11.712  13.613  -1.700
  829   2HB   LYS 106          3HB       LYS 106 -12.684  12.317  -1.037
  830   1HG   LYS 106          2HG       LYS 106 -10.618  12.118   0.000
  831   2HG   LYS 106          3HG       LYS 106 -10.630  10.872  -1.238
  832   1HD   LYS 106          2HD       LYS 106  -8.475  11.998  -1.138
  833   2HD   LYS 106          3HD       LYS 106  -9.259  12.269  -2.687
  834   1HE   LYS 106          2HE       LYS 106  -9.315  14.239  -0.397
  835   2HE   LYS 106          3HE       LYS 106  -8.116  14.275  -1.685
  836   1HZ   LYS 106          1HZ       LYS 106  -9.600  15.699  -2.571
  837   2HZ   LYS 106          2HZ       LYS 106 -10.919  15.066  -1.721
  838   3HZ   LYS 106          3HZ       LYS 106 -10.352  14.287  -3.117
  839    H    TYR 107           HN       TYR 107 -10.417  10.453  -3.995
  840    HA   TYR 107           HA       TYR 107  -8.919  12.520  -5.389
  841   1HB   TYR 107          2HB       TYR 107  -8.346   9.602  -4.921
  842   2HB   TYR 107          3HB       TYR 107  -7.349  10.607  -5.964
  843    HD1  TYR 107           1HD      TYR 107  -7.734   9.373  -2.660
  844    HD2  TYR 107           2HD      TYR 107  -6.499  12.831  -4.841
  845    HE1  TYR 107           1HE      TYR 107  -6.460  10.117  -0.744
  846    HE2  TYR 107           2HE      TYR 107  -5.201  13.579  -2.896
  847    HH   TYR 107           HH       TYR 107  -5.348  11.861   0.182
  848    H    LYS 108           HN       LYS 108 -10.572   9.468  -6.280
  849    HA   LYS 108           HA       LYS 108 -10.731  10.461  -9.056
  850   1HB   LYS 108          2HB       LYS 108 -11.342   7.729  -7.911
  851   2HB   LYS 108          3HB       LYS 108 -11.880   8.221  -9.498
  852   1HG   LYS 108          2HG       LYS 108 -10.021   6.994 -10.000
  853   2HG   LYS 108          3HG       LYS 108  -9.353   8.618  -9.951
  854   1HD   LYS 108          2HD       LYS 108  -9.267   6.794  -7.566
  855   2HD   LYS 108          3HD       LYS 108  -8.039   6.732  -8.824
  856   1HE   LYS 108          2HE       LYS 108  -8.753   9.143  -7.171
  857   2HE   LYS 108          3HE       LYS 108  -7.352   8.103  -6.923
  858   1HZ   LYS 108          1HZ       LYS 108  -6.775  10.112  -8.153
  859   2HZ   LYS 108          2HZ       LYS 108  -7.888   9.714  -9.370
  860   3HZ   LYS 108          3HZ       LYS 108  -6.530   8.728  -9.103
  861    H    SER 109           HN       SER 109 -12.511  11.573  -9.484
  862    HA   SER 109           HA       SER 109 -14.297  12.301  -7.586
  863   1HB   SER 109          2HB       SER 109 -14.890  12.252 -10.531
  864   2HB   SER 109          3HB       SER 109 -15.631  13.302  -9.334
  865    HG   SER 109           HG       SER 109 -13.024  13.615  -9.083
  866    H    GLU 110           HN       GLU 110 -15.717  11.323  -6.534
  867    HA   GLU 110           HA       GLU 110 -17.415  10.002  -5.818
  868   1HB   GLU 110          2HB       GLU 110 -18.370  10.631  -8.607
  869   2HB   GLU 110          3HB       GLU 110 -19.385  10.115  -7.267
  870   1HG   GLU 110          2HG       GLU 110 -18.786  12.131  -6.036
  871   2HG   GLU 110          3HG       GLU 110 -17.764  12.645  -7.377
  872    H    GLU 111           HN       GLU 111 -15.301   8.377  -6.817
  873    HA   GLU 111           HA       GLU 111 -16.554   6.232  -8.311
  874   1HB   GLU 111          2HB       GLU 111 -13.858   6.461  -6.965
  875   2HB   GLU 111          3HB       GLU 111 -14.386   5.058  -7.892
  876   1HG   GLU 111          2HG       GLU 111 -14.152   7.857  -8.979
  877   2HG   GLU 111          3HG       GLU 111 -12.943   6.589  -9.173
  878    HA   PRO 112           HA       PRO 112 -18.079   4.471  -4.514
  879   1HB   PRO 112          2HB       PRO 112 -19.420   2.444  -6.020
  880   2HB   PRO 112          3HB       PRO 112 -20.109   3.897  -5.296
  881   1HG   PRO 112          2HG       PRO 112 -19.913   3.440  -8.012
  882   2HG   PRO 112          3HG       PRO 112 -20.053   5.042  -7.269
  883   1HD   PRO 112          2HD       PRO 112 -17.610   3.612  -8.248
  884   2HD   PRO 112          3HD       PRO 112 -18.045   5.329  -8.402
  885    H    ASP 113           HN       ASP 113 -16.535   3.410  -3.417
  886    HA   ASP 113           HA       ASP 113 -15.364   0.977  -4.514
  887   1HB   ASP 113          2HB       ASP 113 -14.704   2.571  -2.036
  888   2HB   ASP 113          3HB       ASP 113 -13.958   1.023  -2.409
  889    H    ALA 114           HN       ALA 114 -15.864   1.396  -1.114
  890    HA   ALA 114           HA       ALA 114 -16.614  -1.252  -0.756
  891   1HB   ALA 114          1HB       ALA 114 -15.968  -0.753   1.297
  892   2HB   ALA 114          2HB       ALA 114 -15.918   0.954   0.863
  893   3HB   ALA 114          3HB       ALA 114 -17.398   0.255   1.519
  894    H    GLU 115           HN       GLU 115 -18.630   1.665  -0.472
  895    HA   GLU 115           HA       GLU 115 -21.063   0.130  -0.893
  896   1HB   GLU 115          2HB       GLU 115 -20.488  -0.206   1.504
  897   2HB   GLU 115          3HB       GLU 115 -20.451   1.535   1.726
  898   1HG   GLU 115          2HG       GLU 115 -22.510   0.797   2.582
  899   2HG   GLU 115          3HG       GLU 115 -22.865   1.567   1.039
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  26.077   9.804   5.463
    2   2H    MET   1          2H        MET   1  25.152   8.510   6.049
    3   3H    MET   1          3H        MET   1  25.262   9.942   6.945
    4    HA   MET   1           HA       MET   1  24.317  10.961   4.730
    5   1HB   MET   1          2HB       MET   1  24.279   8.831   3.559
    6   2HB   MET   1          3HB       MET   1  23.314   8.106   4.838
    7   1HG   MET   1          2HG       MET   1  21.956   8.629   2.895
    8   2HG   MET   1          3HG       MET   1  21.454   9.574   4.296
    9   1HE   MET   1          1HE       MET   1  20.697  10.507   1.043
   10   2HE   MET   1          2HE       MET   1  20.057  10.808   2.657
   11   3HE   MET   1          3HE       MET   1  20.616  12.154   1.666
   12    H    SER   2           HN       SER   2  22.566  12.135   5.263
   13    HA   SER   2           HA       SER   2  21.521  11.976   7.907
   14   1HB   SER   2          2HB       SER   2  20.061  13.864   7.149
   15   2HB   SER   2          3HB       SER   2  21.780  14.139   6.865
   16    HG   SER   2           HG       SER   2  21.486  13.965   4.748
   17    H    THR   3           HN       THR   3  18.916  12.794   6.039
   18    HA   THR   3           HA       THR   3  17.490  10.427   6.833
   19    HB   THR   3           HB       THR   3  15.542  11.611   5.797
   20    HG1  THR   3           1HG      THR   3  16.196  13.965   5.361
   21   1HG2  THR   3          1HG2      THR   3  15.664  13.604   7.398
   22   2HG2  THR   3          2HG2      THR   3  17.259  13.000   7.844
   23   3HG2  THR   3          3HG2      THR   3  15.832  12.000   8.106
   24    H    THR   4           HN       THR   4  15.629  10.609   4.583
   25    HA   THR   4           HA       THR   4  16.599  10.228   2.067
   26    HB   THR   4           HB       THR   4  17.965   8.356   2.915
   27    HG1  THR   4           1HG      THR   4  16.977   6.698   1.461
   28   1HG2  THR   4          1HG2      THR   4  16.323   6.234   3.349
   29   2HG2  THR   4          2HG2      THR   4  15.406   7.534   4.112
   30   3HG2  THR   4          3HG2      THR   4  17.060   7.203   4.627
   31    H    ILE   5           HN       ILE   5  14.468   8.987   4.531
   32    HA   ILE   5           HA       ILE   5  12.280   8.110   3.052
   33    HB   ILE   5           HB       ILE   5  12.597   9.214   5.823
   34   1HG1  ILE   5          2HG1      ILE   5  11.631   6.520   4.966
   35   2HG1  ILE   5          3HG1      ILE   5  13.356   6.880   4.966
   36   1HG2  ILE   5          1HG2      ILE   5  10.253   8.319   6.204
   37   2HG2  ILE   5          2HG2      ILE   5  10.388   9.866   5.368
   38   3HG2  ILE   5          3HG2      ILE   5  10.057   8.396   4.451
   39   1HD1  ILE   5          1HD1      ILE   5  13.302   7.275   7.335
   40   2HD1  ILE   5          2HD1      ILE   5  11.549   7.100   7.356
   41   3HD1  ILE   5          3HD1      ILE   5  12.567   5.710   6.987
   42    H    GLU   6           HN       GLU   6  13.320  11.362   3.665
   43    HA   GLU   6           HA       GLU   6  11.024  12.862   3.459
   44   1HB   GLU   6          2HB       GLU   6  13.704  13.430   2.181
   45   2HB   GLU   6          3HB       GLU   6  12.443  14.621   2.461
   46   1HG   GLU   6          2HG       GLU   6  12.663  14.354   4.845
   47   2HG   GLU   6          3HG       GLU   6  13.826  13.049   4.618
   48    H    LYS   7           HN       LYS   7  12.987  11.581   0.767
   49    HA   LYS   7           HA       LYS   7  11.427  12.622  -1.335
   50   1HB   LYS   7          2HB       LYS   7  12.591  11.081  -2.775
   51   2HB   LYS   7          3HB       LYS   7  13.733  11.655  -1.567
   52   1HG   LYS   7          2HG       LYS   7  13.468   9.619  -0.297
   53   2HG   LYS   7          3HG       LYS   7  12.258   9.054  -1.441
   54   1HD   LYS   7          2HD       LYS   7  14.351   7.958  -1.897
   55   2HD   LYS   7          3HD       LYS   7  13.991   9.076  -3.212
   56   1HE   LYS   7          2HE       LYS   7  15.543  10.689  -2.324
   57   2HE   LYS   7          3HE       LYS   7  15.822   9.687  -0.900
   58   1HZ   LYS   7          1HZ       LYS   7  17.573   9.511  -2.631
   59   2HZ   LYS   7          2HZ       LYS   7  16.430   8.806  -3.670
   60   3HZ   LYS   7          3HZ       LYS   7  16.854   8.029  -2.227
   61    H    ILE   8           HN       ILE   8  11.349   9.602   0.392
   62    HA   ILE   8           HA       ILE   8   9.459   8.280  -1.167
   63    HB   ILE   8           HB       ILE   8  10.161   7.851   1.735
   64   1HG1  ILE   8          2HG1      ILE   8  11.228   6.546  -0.781
   65   2HG1  ILE   8          3HG1      ILE   8  12.081   7.761   0.162
   66   1HG2  ILE   8          1HG2      ILE   8   8.049   6.795   1.097
   67   2HG2  ILE   8          2HG2      ILE   8   8.858   5.999  -0.252
   68   3HG2  ILE   8          3HG2      ILE   8   9.306   5.598   1.407
   69   1HD1  ILE   8          1HD1      ILE   8  11.811   6.084   2.108
   70   2HD1  ILE   8          2HD1      ILE   8  11.504   4.913   0.827
   71   3HD1  ILE   8          3HD1      ILE   8  13.033   5.788   0.871
   72    H    GLN   9           HN       GLN   9   9.040  10.079   1.892
   73    HA   GLN   9           HA       GLN   9   6.293   9.536   2.093
   74   1HB   GLN   9          2HB       GLN   9   7.917  11.785   3.260
   75   2HB   GLN   9          3HB       GLN   9   6.197  11.591   3.578
   76   1HG   GLN   9          2HG       GLN   9   6.679   9.314   4.447
   77   2HG   GLN   9          3HG       GLN   9   8.397   9.661   4.263
   78   1HE2  GLN   9          1HE2      GLN   9   9.251  10.019   6.184
   79   2HE2  GLN   9          2HE2      GLN   9   8.550  10.980   7.444
   80    H    ARG  10           HN       ARG  10   8.000  11.991   0.304
   81    HA   ARG  10           HA       ARG  10   5.757  13.567  -0.405
   82   1HB   ARG  10          2HB       ARG  10   8.275  12.994  -1.974
   83   2HB   ARG  10          3HB       ARG  10   7.100  14.232  -2.378
   84   1HG   ARG  10          2HG       ARG  10   8.781  14.142   0.120
   85   2HG   ARG  10          3HG       ARG  10   9.057  15.172  -1.282
   86   1HD   ARG  10          2HD       ARG  10   7.986  16.488   0.402
   87   2HD   ARG  10          3HD       ARG  10   6.816  16.199  -0.883
   88    HE   ARG  10           HE       ARG  10   6.550  14.223   1.103
   89   1HH1  ARG  10          2HH1      ARG  10   5.937  17.629   0.593
   90   2HH1  ARG  10          1HH1      ARG  10   4.623  17.695   1.736
   91   1HH2  ARG  10          2HH2      ARG  10   4.837  14.303   2.605
   92   2HH2  ARG  10          1HH2      ARG  10   4.003  15.803   2.889
   93    H    GLN  11           HN       GLN  11   7.104  10.575  -1.654
   94    HA   GLN  11           HA       GLN  11   5.416  10.411  -3.953
   95   1HB   GLN  11          2HB       GLN  11   7.564   9.216  -3.807
   96   2HB   GLN  11          3HB       GLN  11   6.924   8.231  -2.499
   97   1HG   GLN  11          2HG       GLN  11   5.223   7.338  -4.037
   98   2HG   GLN  11          3HG       GLN  11   5.934   8.285  -5.341
   99   1HE2  GLN  11          1HE2      GLN  11   7.272   7.217  -6.591
  100   2HE2  GLN  11          2HE2      GLN  11   8.214   5.835  -6.142
  101    H    ILE  12           HN       ILE  12   5.339   8.834  -0.763
  102    HA   ILE  12           HA       ILE  12   3.008   7.338  -1.280
  103    HB   ILE  12           HB       ILE  12   3.986   8.262   1.430
  104   1HG1  ILE  12          2HG1      ILE  12   4.775   5.854  -0.225
  105   2HG1  ILE  12          3HG1      ILE  12   5.826   7.154   0.345
  106   1HG2  ILE  12          1HG2      ILE  12   2.319   5.876   0.649
  107   2HG2  ILE  12          2HG2      ILE  12   2.831   6.302   2.280
  108   3HG2  ILE  12          3HG2      ILE  12   1.712   7.351   1.405
  109   1HD1  ILE  12          1HD1      ILE  12   4.542   6.006   2.589
  110   2HD1  ILE  12          2HD1      ILE  12   5.219   4.707   1.607
  111   3HD1  ILE  12          3HD1      ILE  12   6.257   6.016   2.174
  112    H    ALA  13           HN       ALA  13   3.503  10.484   0.137
  113    HA   ALA  13           HA       ALA  13   0.887  10.924   1.041
  114   1HB   ALA  13          1HB       ALA  13   2.125  13.378   0.164
  115   2HB   ALA  13          2HB       ALA  13   1.746  12.828   1.796
  116   3HB   ALA  13          3HB       ALA  13   3.270  12.363   1.041
  117    H    GLU  14           HN       GLU  14   2.357  11.439  -2.126
  118    HA   GLU  14           HA       GLU  14   0.268  13.075  -3.082
  119   1HB   GLU  14          2HB       GLU  14   1.285  12.953  -5.259
  120   2HB   GLU  14          3HB       GLU  14   2.534  13.147  -4.038
  121   1HG   GLU  14          2HG       GLU  14   3.105  10.819  -4.191
  122   2HG   GLU  14          3HG       GLU  14   1.773  10.540  -5.310
  123    H    ASN  15           HN       ASN  15   0.811   9.561  -3.398
  124    HA   ASN  15           HA       ASN  15  -1.338   9.315  -5.290
  125   1HB   ASN  15          2HB       ASN  15  -0.972   6.770  -4.309
  126   2HB   ASN  15          3HB       ASN  15  -0.166   7.452  -5.703
  127   1HD2  ASN  15          1HD2      ASN  15   1.943   7.268  -5.697
  128   2HD2  ASN  15          2HD2      ASN  15   2.946   7.194  -4.292
  129    HA   PRO  16           HA       PRO  16  -4.809   9.406  -2.659
  130   1HB   PRO  16          2HB       PRO  16  -6.488   7.950  -4.291
  131   2HB   PRO  16          3HB       PRO  16  -6.125   9.665  -4.507
  132   1HG   PRO  16          2HG       PRO  16  -4.931   7.297  -5.890
  133   2HG   PRO  16          3HG       PRO  16  -5.438   8.855  -6.569
  134   1HD   PRO  16          2HD       PRO  16  -2.867   8.335  -6.088
  135   2HD   PRO  16          3HD       PRO  16  -3.544   9.950  -5.795
  136    H    ILE  17           HN       ILE  17  -3.929   6.357  -4.191
  137    HA   ILE  17           HA       ILE  17  -4.435   4.947  -1.661
  138    HB   ILE  17           HB       ILE  17  -5.261   3.828  -4.358
  139   1HG1  ILE  17          2HG1      ILE  17  -6.739   5.745  -3.828
  140   2HG1  ILE  17          3HG1      ILE  17  -7.604   4.208  -3.790
  141   1HG2  ILE  17          1HG2      ILE  17  -6.468   2.169  -3.012
  142   2HG2  ILE  17          2HG2      ILE  17  -4.733   2.159  -2.695
  143   3HG2  ILE  17          3HG2      ILE  17  -5.835   2.918  -1.546
  144   1HD1  ILE  17          1HD1      ILE  17  -6.747   4.644  -1.166
  145   2HD1  ILE  17          2HD1      ILE  17  -7.299   6.222  -1.744
  146   3HD1  ILE  17          3HD1      ILE  17  -8.382   4.824  -1.804
  147    H    LEU  18           HN       LEU  18  -2.517   3.948  -1.194
  148    HA   LEU  18           HA       LEU  18  -0.838   3.089  -3.450
  149   1HB   LEU  18          2HB       LEU  18  -0.106   5.248  -2.409
  150   2HB   LEU  18          3HB       LEU  18   0.168   4.368  -0.914
  151    HG   LEU  18           HG       LEU  18   1.865   2.987  -2.035
  152   1HD1  LEU  18          1HD1      LEU  18   1.540   4.815  -4.404
  153   2HD1  LEU  18          2HD1      LEU  18   2.562   3.384  -4.265
  154   3HD1  LEU  18          3HD1      LEU  18   0.807   3.212  -4.313
  155   1HD2  LEU  18          1HD2      LEU  18   3.550   4.745  -2.265
  156   2HD2  LEU  18          2HD2      LEU  18   2.277   5.966  -2.385
  157   3HD2  LEU  18          3HD2      LEU  18   2.502   5.069  -0.880
  158    H    LEU  19           HN       LEU  19   0.349   1.293  -3.198
  159    HA   LEU  19           HA       LEU  19   0.107  -0.244  -0.709
  160   1HB   LEU  19          2HB       LEU  19  -1.674  -1.030  -2.021
  161   2HB   LEU  19          3HB       LEU  19  -0.741  -0.932  -3.501
  162    HG   LEU  19           HG       LEU  19   0.542  -2.881  -2.869
  163   1HD1  LEU  19          1HD1      LEU  19  -0.907  -4.062  -0.808
  164   2HD1  LEU  19          2HD1      LEU  19   0.735  -3.424  -0.701
  165   3HD1  LEU  19          3HD1      LEU  19  -0.638  -2.408  -0.253
  166   1HD2  LEU  19          1HD2      LEU  19  -2.434  -3.252  -2.614
  167   2HD2  LEU  19          2HD2      LEU  19  -1.522  -3.115  -4.119
  168   3HD2  LEU  19          3HD2      LEU  19  -1.271  -4.501  -3.057
  169    H    TYR  20           HN       TYR  20   2.127  -0.895  -0.101
  170    HA   TYR  20           HA       TYR  20   4.130  -1.131  -2.230
  171   1HB   TYR  20          2HB       TYR  20   4.341  -0.794   0.738
  172   2HB   TYR  20          3HB       TYR  20   5.695  -1.449  -0.179
  173    HD1  TYR  20           1HD      TYR  20   7.320   0.047  -0.705
  174    HD2  TYR  20           2HD      TYR  20   3.303   1.440  -0.523
  175    HE1  TYR  20           1HE      TYR  20   8.089   2.301  -1.284
  176    HE2  TYR  20           2HE      TYR  20   4.068   3.701  -1.100
  177    HH   TYR  20           HH       TYR  20   6.637   4.497  -2.500
  178    H    MET  21           HN       MET  21   4.702  -3.011  -2.981
  179    HA   MET  21           HA       MET  21   4.460  -5.396  -1.324
  180   1HB   MET  21          2HB       MET  21   3.331  -6.539  -3.267
  181   2HB   MET  21          3HB       MET  21   2.351  -5.388  -2.378
  182   1HG   MET  21          2HG       MET  21   2.556  -3.767  -4.102
  183   2HG   MET  21          3HG       MET  21   3.773  -4.729  -4.941
  184   1HE   MET  21          1HE       MET  21  -0.475  -6.432  -4.440
  185   2HE   MET  21          2HE       MET  21   0.782  -6.423  -3.204
  186   3HE   MET  21          3HE       MET  21  -0.017  -4.921  -3.658
  187    H    LYS  22           HN       LYS  22   4.963  -7.335  -3.102
  188    HA   LYS  22           HA       LYS  22   7.634  -6.652  -4.103
  189   1HB   LYS  22          2HB       LYS  22   7.391  -8.638  -2.577
  190   2HB   LYS  22          3HB       LYS  22   6.381  -9.397  -3.798
  191   1HG   LYS  22          2HG       LYS  22   8.181  -9.628  -5.297
  192   2HG   LYS  22          3HG       LYS  22   9.198  -8.520  -4.371
  193   1HD   LYS  22          2HD       LYS  22   9.297 -10.113  -2.537
  194   2HD   LYS  22          3HD       LYS  22   8.218 -11.207  -3.401
  195   1HE   LYS  22          2HE       LYS  22  10.939 -10.344  -4.372
  196   2HE   LYS  22          3HE       LYS  22  10.605 -11.856  -3.529
  197   1HZ   LYS  22          1HZ       LYS  22  10.024 -12.772  -5.442
  198   2HZ   LYS  22          2HZ       LYS  22  10.388 -11.332  -6.262
  199   3HZ   LYS  22          3HZ       LYS  22   8.823 -11.604  -5.680
  200    H    GLY  23           HN       GLY  23   8.079  -6.835  -6.255
  201   1HA   GLY  23          1HA       GLY  23   5.685  -7.160  -7.956
  202   2HA   GLY  23          2HA       GLY  23   6.677  -5.718  -7.986
  203    H    SER  24           HN       SER  24   5.933  -8.193  -9.774
  204    HA   SER  24           HA       SER  24   8.418  -8.082 -11.241
  205   1HB   SER  24          2HB       SER  24   8.561 -10.528 -11.440
  206   2HB   SER  24          3HB       SER  24   8.758 -10.014  -9.772
  207    HG   SER  24           HG       SER  24   6.238 -10.401  -9.938
  208    HA   PRO  25           HA       PRO  25   5.617  -7.731 -14.660
  209   1HB   PRO  25          2HB       PRO  25   7.526  -9.569 -16.042
  210   2HB   PRO  25          3HB       PRO  25   6.854  -8.027 -16.587
  211   1HG   PRO  25          2HG       PRO  25   9.348  -8.154 -15.691
  212   2HG   PRO  25          3HG       PRO  25   8.308  -6.779 -15.275
  213   1HD   PRO  25          2HD       PRO  25   9.144  -9.100 -13.596
  214   2HD   PRO  25          3HD       PRO  25   8.861  -7.411 -13.130
  215    H    LYS  26           HN       LYS  26   6.945 -10.948 -13.967
  216    HA   LYS  26           HA       LYS  26   4.897 -12.468 -15.194
  217   1HB   LYS  26          2HB       LYS  26   5.729 -14.346 -13.857
  218   2HB   LYS  26          3HB       LYS  26   7.053 -13.459 -14.598
  219   1HG   LYS  26          2HG       LYS  26   7.545 -12.369 -12.497
  220   2HG   LYS  26          3HG       LYS  26   6.160 -13.154 -11.738
  221   1HD   LYS  26          2HD       LYS  26   8.206 -14.313 -11.145
  222   2HD   LYS  26          3HD       LYS  26   7.193 -15.344 -12.155
  223   1HE   LYS  26          2HE       LYS  26   9.511 -15.512 -12.841
  224   2HE   LYS  26          3HE       LYS  26   8.555 -14.748 -14.108
  225   1HZ   LYS  26          1HZ       LYS  26  10.632 -13.592 -13.813
  226   2HZ   LYS  26          2HZ       LYS  26  10.317 -13.354 -12.161
  227   3HZ   LYS  26          3HZ       LYS  26   9.359 -12.588 -13.327
  228    H    LEU  27           HN       LEU  27   5.175 -10.972 -12.039
  229    HA   LEU  27           HA       LEU  27   2.362 -11.425 -11.469
  230   1HB   LEU  27          2HB       LEU  27   3.890 -13.451 -10.752
  231   2HB   LEU  27          3HB       LEU  27   4.387 -12.361  -9.467
  232    HG   LEU  27           HG       LEU  27   1.564 -13.350  -9.954
  233   1HD1  LEU  27          1HD1      LEU  27   1.864 -14.932  -8.356
  234   2HD1  LEU  27          2HD1      LEU  27   3.503 -14.869  -9.001
  235   3HD1  LEU  27          3HD1      LEU  27   3.107 -14.011  -7.512
  236   1HD2  LEU  27          1HD2      LEU  27   1.194 -12.401  -7.641
  237   2HD2  LEU  27          2HD2      LEU  27   2.707 -11.523  -7.861
  238   3HD2  LEU  27          3HD2      LEU  27   1.352 -11.230  -8.950
  239    HA   PRO  28           HA       PRO  28   3.833  -7.399 -10.032
  240   1HB   PRO  28          2HB       PRO  28   1.347  -6.360  -9.571
  241   2HB   PRO  28          3HB       PRO  28   2.131  -6.382 -11.146
  242   1HG   PRO  28          2HG       PRO  28   0.040  -8.179 -10.017
  243   2HG   PRO  28          3HG       PRO  28   0.210  -7.546 -11.665
  244   1HD   PRO  28          2HD       PRO  28   0.899 -10.058 -10.987
  245   2HD   PRO  28          3HD       PRO  28   1.735  -9.149 -12.254
  246    H    SER  29           HN       SER  29   3.128  -9.800  -8.143
  247    HA   SER  29           HA       SER  29   3.613  -8.351  -5.786
  248   1HB   SER  29          2HB       SER  29   1.578  -9.207  -4.563
  249   2HB   SER  29          3HB       SER  29   1.344  -7.861  -5.669
  250    HG   SER  29           HG       SER  29   0.288  -9.164  -7.042
  251    H    CYS  30           HN       CYS  30   5.093 -10.165  -6.914
  252    HA   CYS  30           HA       CYS  30   4.717 -12.850  -6.215
  253   1HB   CYS  30          2HB       CYS  30   7.232 -12.910  -6.612
  254   2HB   CYS  30          3HB       CYS  30   6.197 -12.440  -7.954
  255    HG   CYS  30           HG       CYS  30   8.249 -10.749  -8.262
  256    H    GLY  31           HN       GLY  31   4.090 -11.863  -3.850
  257   1HA   GLY  31          1HA       GLY  31   6.060 -13.029  -2.090
  258   2HA   GLY  31          2HA       GLY  31   5.850 -11.295  -1.855
  259    H    PHE  32           HN       PHE  32   4.805 -11.217   0.097
  260    HA   PHE  32           HA       PHE  32   2.610 -12.985   0.734
  261   1HB   PHE  32          2HB       PHE  32   3.445 -10.386   2.053
  262   2HB   PHE  32          3HB       PHE  32   2.191 -11.456   2.650
  263    HD1  PHE  32           1HD      PHE  32   5.777 -11.722   1.621
  264    HD2  PHE  32           2HD      PHE  32   2.724 -12.718   4.403
  265    HE1  PHE  32           1HE      PHE  32   7.437 -12.923   2.993
  266    HE2  PHE  32           2HE      PHE  32   4.376 -13.916   5.793
  267    HZ   PHE  32           HZ       PHE  32   6.734 -14.017   5.084
  268    H    SER  33           HN       SER  33   3.096  -9.740  -0.367
  269    HA   SER  33           HA       SER  33   0.629  -8.621  -0.225
  270   1HB   SER  33          2HB       SER  33   1.378  -7.341  -2.270
  271   2HB   SER  33          3HB       SER  33   2.491  -7.346  -0.898
  272    HG   SER  33           HG       SER  33   2.688  -8.665  -3.371
  273    H    ALA  34           HN       ALA  34   1.599 -11.205  -2.312
  274    HA   ALA  34           HA       ALA  34  -0.213 -11.048  -4.396
  275   1HB   ALA  34          1HB       ALA  34   0.244 -13.709  -3.177
  276   2HB   ALA  34          2HB       ALA  34   0.343 -13.202  -4.862
  277   3HB   ALA  34          3HB       ALA  34   1.655 -12.817  -3.746
  278    H    GLN  35           HN       GLN  35  -0.755 -12.312  -1.080
  279    HA   GLN  35           HA       GLN  35  -3.466 -12.997  -1.793
  280   1HB   GLN  35          2HB       GLN  35  -3.630 -14.130   0.158
  281   2HB   GLN  35          3HB       GLN  35  -1.878 -14.018   0.124
  282   1HG   GLN  35          2HG       GLN  35  -3.559 -12.010   1.573
  283   2HG   GLN  35          3HG       GLN  35  -3.066 -13.529   2.308
  284   1HE2  GLN  35          1HE2      GLN  35  -2.321 -10.364   1.957
  285   2HE2  GLN  35          2HE2      GLN  35  -0.647 -10.422   2.380
  286    H    ALA  36           HN       ALA  36  -1.823 -10.319  -0.291
  287    HA   ALA  36           HA       ALA  36  -4.087  -9.048   0.837
  288   1HB   ALA  36          1HB       ALA  36  -1.495  -7.768   0.002
  289   2HB   ALA  36          2HB       ALA  36  -2.656  -7.162   1.186
  290   3HB   ALA  36          3HB       ALA  36  -1.745  -8.636   1.519
  291    H    VAL  37           HN       VAL  37  -2.344  -8.527  -2.196
  292    HA   VAL  37           HA       VAL  37  -3.658  -6.297  -3.147
  293    HB   VAL  37           HB       VAL  37  -1.706  -7.265  -4.256
  294   1HG1  VAL  37          1HG1      VAL  37  -2.970  -9.661  -4.107
  295   2HG1  VAL  37          2HG1      VAL  37  -3.171  -9.258  -5.812
  296   3HG1  VAL  37          3HG1      VAL  37  -1.554  -9.323  -5.105
  297   1HG2  VAL  37          1HG2      VAL  37  -2.224  -6.492  -6.337
  298   2HG2  VAL  37          2HG2      VAL  37  -3.746  -7.388  -6.409
  299   3HG2  VAL  37          3HG2      VAL  37  -3.638  -5.903  -5.462
  300    H    GLN  38           HN       GLN  38  -4.653  -9.663  -3.255
  301    HA   GLN  38           HA       GLN  38  -6.863  -9.379  -4.963
  302   1HB   GLN  38          2HB       GLN  38  -6.808 -11.333  -2.671
  303   2HB   GLN  38          3HB       GLN  38  -7.538 -11.529  -4.257
  304   1HG   GLN  38          2HG       GLN  38  -4.598 -11.527  -3.612
  305   2HG   GLN  38          3HG       GLN  38  -5.586 -12.921  -4.037
  306   1HE2  GLN  38          1HE2      GLN  38  -6.771 -10.629  -6.015
  307   2HE2  GLN  38          2HE2      GLN  38  -5.702 -10.794  -7.368
  308    H    ALA  39           HN       ALA  39  -6.576  -9.255  -1.438
  309    HA   ALA  39           HA       ALA  39  -9.277  -8.858  -0.832
  310   1HB   ALA  39          1HB       ALA  39  -8.142  -7.624   1.233
  311   2HB   ALA  39          2HB       ALA  39  -8.135  -9.379   1.055
  312   3HB   ALA  39          3HB       ALA  39  -6.715  -8.442   0.590
  313    H    LEU  40           HN       LEU  40  -6.700  -6.482  -1.449
  314    HA   LEU  40           HA       LEU  40  -8.146  -4.193  -0.746
  315   1HB   LEU  40          2HB       LEU  40  -5.616  -4.587  -1.487
  316   2HB   LEU  40          3HB       LEU  40  -6.256  -4.141  -3.051
  317    HG   LEU  40           HG       LEU  40  -6.226  -2.430  -0.565
  318   1HD1  LEU  40          1HD1      LEU  40  -4.250  -1.744  -1.269
  319   2HD1  LEU  40          2HD1      LEU  40  -4.339  -2.840  -2.648
  320   3HD1  LEU  40          3HD1      LEU  40  -4.974  -1.196  -2.784
  321   1HD2  LEU  40          1HD2      LEU  40  -6.888  -0.963  -2.922
  322   2HD2  LEU  40          2HD2      LEU  40  -8.035  -2.287  -2.722
  323   3HD2  LEU  40          3HD2      LEU  40  -7.799  -1.123  -1.418
  324    H    ALA  41           HN       ALA  41  -7.534  -5.576  -3.946
  325    HA   ALA  41           HA       ALA  41  -9.198  -3.858  -5.395
  326   1HB   ALA  41          1HB       ALA  41  -9.030  -6.515  -6.550
  327   2HB   ALA  41          2HB       ALA  41  -8.390  -4.982  -7.143
  328   3HB   ALA  41          3HB       ALA  41  -7.461  -5.937  -5.988
  329    H    ALA  42           HN       ALA  42  -9.786  -6.856  -3.707
  330    HA   ALA  42           HA       ALA  42 -12.371  -7.381  -4.754
  331   1HB   ALA  42          1HB       ALA  42 -10.613  -8.580  -2.859
  332   2HB   ALA  42          2HB       ALA  42 -12.222  -8.452  -2.148
  333   3HB   ALA  42          3HB       ALA  42 -12.000  -9.286  -3.687
  334    H    CYS  43           HN       CYS  43 -11.325  -5.867  -1.695
  335    HA   CYS  43           HA       CYS  43 -13.997  -5.260  -0.921
  336   1HB   CYS  43          2HB       CYS  43 -11.304  -4.757   0.139
  337   2HB   CYS  43          3HB       CYS  43 -12.541  -3.601   0.617
  338    HG   CYS  43           HG       CYS  43 -13.614  -6.704   0.960
  339    H    GLY  44           HN       GLY  44 -11.302  -3.175  -1.999
  340   1HA   GLY  44          1HA       GLY  44 -13.275  -1.066  -2.540
  341   2HA   GLY  44          2HA       GLY  44 -11.542  -0.827  -2.362
  342    H    GLU  45           HN       GLU  45 -10.939   0.052  -4.185
  343    HA   GLU  45           HA       GLU  45 -11.354  -1.405  -6.670
  344   1HB   GLU  45          2HB       GLU  45 -12.169   1.422  -6.141
  345   2HB   GLU  45          3HB       GLU  45 -11.678   0.934  -7.760
  346   1HG   GLU  45          2HG       GLU  45 -13.846  -0.403  -6.161
  347   2HG   GLU  45          3HG       GLU  45 -14.123   0.839  -7.385
  348    H    ARG  46           HN       ARG  46 -10.276   0.845  -8.179
  349    HA   ARG  46           HA       ARG  46  -7.754  -0.152  -8.411
  350   1HB   ARG  46          2HB       ARG  46  -8.808   2.513  -9.347
  351   2HB   ARG  46          3HB       ARG  46  -7.278   1.816  -9.867
  352   1HG   ARG  46          2HG       ARG  46 -10.013   0.635 -10.289
  353   2HG   ARG  46          3HG       ARG  46  -8.986   1.389 -11.504
  354   1HD   ARG  46          2HD       ARG  46  -8.359  -1.115  -9.951
  355   2HD   ARG  46          3HD       ARG  46  -8.841  -1.036 -11.646
  356    HE   ARG  46           HE       ARG  46  -6.589   0.559 -11.393
  357   1HH1  ARG  46          2HH1      ARG  46  -7.405  -2.822 -10.918
  358   2HH1  ARG  46          1HH1      ARG  46  -5.809  -3.390 -11.316
  359   1HH2  ARG  46          2HH2      ARG  46  -4.510  -0.189 -11.942
  360   2HH2  ARG  46          1HH2      ARG  46  -4.169  -1.896 -11.910
  361    H    PHE  47           HN       PHE  47  -5.771   0.425  -7.955
  362    HA   PHE  47           HA       PHE  47  -5.255   2.552  -6.042
  363   1HB   PHE  47          2HB       PHE  47  -4.396   0.992  -4.377
  364   2HB   PHE  47          3HB       PHE  47  -6.084   0.640  -4.720
  365    HD1  PHE  47           1HD      PHE  47  -2.623  -0.436  -5.570
  366    HD2  PHE  47           2HD      PHE  47  -6.742  -1.527  -5.291
  367    HE1  PHE  47           1HE      PHE  47  -2.029  -2.785  -5.977
  368    HE2  PHE  47           2HE      PHE  47  -6.140  -3.880  -5.686
  369    HZ   PHE  47           HZ       PHE  47  -3.787  -4.507  -6.046
  370    H    ALA  48           HN       ALA  48  -2.991   2.830  -5.640
  371    HA   ALA  48           HA       ALA  48  -1.350   1.870  -7.870
  372   1HB   ALA  48          1HB       ALA  48  -1.031   4.128  -7.920
  373   2HB   ALA  48          2HB       ALA  48  -1.254   4.309  -6.178
  374   3HB   ALA  48          3HB       ALA  48   0.261   3.665  -6.811
  375    H    TYR  49           HN       TYR  49   0.630   0.881  -7.484
  376    HA   TYR  49           HA       TYR  49   1.104   0.059  -4.699
  377   1HB   TYR  49          2HB       TYR  49   1.106  -2.217  -5.214
  378   2HB   TYR  49          3HB       TYR  49  -0.216  -1.638  -6.220
  379    HD1  TYR  49           1HD      TYR  49   3.280  -2.691  -6.171
  380    HD2  TYR  49           2HD      TYR  49  -0.073  -1.776  -8.607
  381    HE1  TYR  49           1HE      TYR  49   4.481  -3.587  -8.111
  382    HE2  TYR  49           2HE      TYR  49   1.096  -2.698 -10.574
  383    HH   TYR  49           HH       TYR  49   4.276  -3.124 -10.766
  384    H    VAL  50           HN       VAL  50   3.292  -0.495  -4.291
  385    HA   VAL  50           HA       VAL  50   5.183   0.179  -6.444
  386    HB   VAL  50           HB       VAL  50   5.515   0.907  -3.507
  387   1HG1  VAL  50          1HG1      VAL  50   7.673   0.771  -4.169
  388   2HG1  VAL  50          2HG1      VAL  50   7.290   1.033  -5.872
  389   3HG1  VAL  50          3HG1      VAL  50   7.336   2.400  -4.758
  390   1HG2  VAL  50          1HG2      VAL  50   4.370   2.399  -5.785
  391   2HG2  VAL  50          2HG2      VAL  50   4.069   2.551  -4.053
  392   3HG2  VAL  50          3HG2      VAL  50   5.507   3.284  -4.767
  393    H    ASP  51           HN       ASP  51   6.653  -1.327  -6.793
  394    HA   ASP  51           HA       ASP  51   6.758  -3.604  -5.034
  395   1HB   ASP  51          2HB       ASP  51   8.307  -4.592  -6.627
  396   2HB   ASP  51          3HB       ASP  51   6.877  -3.987  -7.442
  397    H    ILE  52           HN       ILE  52   8.220  -4.076  -3.605
  398    HA   ILE  52           HA       ILE  52  10.590  -2.419  -3.270
  399    HB   ILE  52           HB       ILE  52   9.727  -2.392  -0.715
  400   1HG1  ILE  52          2HG1      ILE  52   7.371  -1.450  -0.877
  401   2HG1  ILE  52          3HG1      ILE  52   7.316  -2.165  -2.490
  402   1HG2  ILE  52          1HG2      ILE  52   8.725  -0.073  -2.058
  403   2HG2  ILE  52          2HG2      ILE  52  10.123  -0.252  -0.991
  404   3HG2  ILE  52          3HG2      ILE  52  10.285  -0.564  -2.724
  405   1HD1  ILE  52          1HD1      ILE  52   6.779  -4.112  -1.649
  406   2HD1  ILE  52          2HD1      ILE  52   8.210  -4.106  -0.617
  407   3HD1  ILE  52          3HD1      ILE  52   6.714  -3.367  -0.049
  408    H    LEU  53           HN       LEU  53   8.770  -5.293  -2.386
  409    HA   LEU  53           HA       LEU  53  10.974  -6.451  -0.936
  410   1HB   LEU  53          2HB       LEU  53   8.689  -7.841  -2.337
  411   2HB   LEU  53          3HB       LEU  53   9.907  -8.644  -1.373
  412    HG   LEU  53           HG       LEU  53   8.174  -8.553   0.096
  413   1HD1  LEU  53          1HD1      LEU  53   9.848  -7.667   1.370
  414   2HD1  LEU  53          2HD1      LEU  53   9.871  -6.149   0.471
  415   3HD1  LEU  53          3HD1      LEU  53   8.553  -6.490   1.592
  416   1HD2  LEU  53          1HD2      LEU  53   6.623  -6.663   0.363
  417   2HD2  LEU  53          2HD2      LEU  53   7.430  -5.844  -0.973
  418   3HD2  LEU  53          3HD2      LEU  53   6.582  -7.366  -1.257
  419    H    GLN  54           HN       GLN  54  10.416  -5.547  -4.072
  420    HA   GLN  54           HA       GLN  54  12.201  -7.522  -5.262
  421   1HB   GLN  54          2HB       GLN  54  10.122  -6.996  -6.489
  422   2HB   GLN  54          3HB       GLN  54  10.574  -5.297  -6.530
  423   1HG   GLN  54          2HG       GLN  54  12.376  -7.336  -7.754
  424   2HG   GLN  54          3HG       GLN  54  10.928  -6.820  -8.607
  425   1HE2  GLN  54          1HE2      GLN  54  11.460  -4.113  -7.137
  426   2HE2  GLN  54          2HE2      GLN  54  12.618  -3.349  -8.167
  427    H    ASN  55           HN       ASN  55  11.984  -4.009  -4.669
  428    HA   ASN  55           HA       ASN  55  14.685  -3.546  -5.614
  429   1HB   ASN  55          2HB       ASN  55  12.753  -1.759  -4.125
  430   2HB   ASN  55          3HB       ASN  55  14.360  -1.257  -4.637
  431   1HD2  ASN  55          1HD2      ASN  55  11.246  -1.003  -5.406
  432   2HD2  ASN  55          2HD2      ASN  55  11.353  -0.835  -7.122
  433    HA   PRO  56           HA       PRO  56  16.503  -4.961  -1.850
  434   1HB   PRO  56          2HB       PRO  56  19.027  -4.033  -2.374
  435   2HB   PRO  56          3HB       PRO  56  18.366  -5.539  -3.014
  436   1HG   PRO  56          2HG       PRO  56  18.621  -2.869  -4.329
  437   2HG   PRO  56          3HG       PRO  56  18.875  -4.487  -5.010
  438   1HD   PRO  56          2HD       PRO  56  16.624  -3.055  -5.456
  439   2HD   PRO  56          3HD       PRO  56  16.625  -4.828  -5.364
  440    H    ASP  57           HN       ASP  57  17.245  -1.656  -2.991
  441    HA   ASP  57           HA       ASP  57  18.074  -0.888  -0.347
  442   1HB   ASP  57          2HB       ASP  57  19.066   0.017  -2.492
  443   2HB   ASP  57          3HB       ASP  57  17.598   0.972  -2.676
  444    H    ILE  58           HN       ILE  58  15.379   0.106  -2.458
  445    HA   ILE  58           HA       ILE  58  14.177   1.942  -0.744
  446    HB   ILE  58           HB       ILE  58  12.666   0.125  -2.637
  447   1HG1  ILE  58          2HG1      ILE  58  14.056   2.761  -3.192
  448   2HG1  ILE  58          3HG1      ILE  58  14.562   1.187  -3.796
  449   1HG2  ILE  58          1HG2      ILE  58  10.884   1.362  -2.128
  450   2HG2  ILE  58          2HG2      ILE  58  11.837   2.158  -0.875
  451   3HG2  ILE  58          3HG2      ILE  58  11.761   2.847  -2.497
  452   1HD1  ILE  58          1HD1      ILE  58  13.329   2.642  -5.422
  453   2HD1  ILE  58          2HD1      ILE  58  12.667   1.021  -5.201
  454   3HD1  ILE  58          3HD1      ILE  58  11.891   2.405  -4.428
  455    H    ARG  59           HN       ARG  59  13.881  -1.528  -0.908
  456    HA   ARG  59           HA       ARG  59  11.711  -2.031   0.726
  457   1HB   ARG  59          2HB       ARG  59  12.866  -3.736  -0.573
  458   2HB   ARG  59          3HB       ARG  59  14.284  -3.589   0.452
  459   1HG   ARG  59          2HG       ARG  59  13.063  -4.485   2.331
  460   2HG   ARG  59          3HG       ARG  59  11.578  -4.532   1.376
  461   1HD   ARG  59          2HD       ARG  59  12.632  -6.735   1.500
  462   2HD   ARG  59          3HD       ARG  59  12.590  -6.126  -0.153
  463    HE   ARG  59           HE       ARG  59  15.053  -5.439   1.067
  464   1HH1  ARG  59          2HH1      ARG  59  13.319  -8.211  -0.170
  465   2HH1  ARG  59          1HH1      ARG  59  14.748  -9.065  -0.656
  466   1HH2  ARG  59          2HH2      ARG  59  16.955  -6.562   0.451
  467   2HH2  ARG  59          1HH2      ARG  59  16.827  -8.129  -0.299
  468    H    ALA  60           HN       ALA  60  14.953  -1.084   1.630
  469    HA   ALA  60           HA       ALA  60  14.587  -1.850   4.373
  470   1HB   ALA  60          1HB       ALA  60  16.753  -2.195   3.740
  471   2HB   ALA  60          2HB       ALA  60  16.822  -0.723   2.770
  472   3HB   ALA  60          3HB       ALA  60  16.889  -0.623   4.529
  473    H    GLU  61           HN       GLU  61  14.582   1.192   2.617
  474    HA   GLU  61           HA       GLU  61  15.152   2.752   4.854
  475   1HB   GLU  61          2HB       GLU  61  14.044   3.599   2.180
  476   2HB   GLU  61          3HB       GLU  61  14.763   4.677   3.367
  477   1HG   GLU  61          2HG       GLU  61  16.889   3.482   3.154
  478   2HG   GLU  61          3HG       GLU  61  16.162   2.423   1.947
  479    H    LEU  62           HN       LEU  62  12.091   2.886   2.972
  480    HA   LEU  62           HA       LEU  62  10.968   4.611   4.926
  481   1HB   LEU  62          2HB       LEU  62   8.926   4.630   3.676
  482   2HB   LEU  62          3HB       LEU  62  10.300   4.822   2.607
  483    HG   LEU  62           HG       LEU  62   9.056   2.124   2.983
  484   1HD1  LEU  62          1HD1      LEU  62   8.058   3.249   0.625
  485   2HD1  LEU  62          2HD1      LEU  62   7.151   2.822   2.076
  486   3HD1  LEU  62          3HD1      LEU  62   7.787   4.457   1.883
  487   1HD2  LEU  62          1HD2      LEU  62  11.049   3.390   1.308
  488   2HD2  LEU  62          2HD2      LEU  62  10.745   1.682   1.607
  489   3HD2  LEU  62          3HD2      LEU  62   9.824   2.535   0.370
  490    HA   PRO  63           HA       PRO  63   8.115   0.704   5.839
  491   1HB   PRO  63          2HB       PRO  63   9.795  -1.356   6.653
  492   2HB   PRO  63          3HB       PRO  63   8.925  -1.298   5.116
  493   1HG   PRO  63          2HG       PRO  63  11.750  -0.533   5.723
  494   2HG   PRO  63          3HG       PRO  63  11.101  -1.422   4.330
  495   1HD   PRO  63          2HD       PRO  63  11.737   1.134   4.085
  496   2HD   PRO  63          3HD       PRO  63  10.237   0.523   3.348
  497    H    LYS  64           HN       LYS  64  11.333   1.137   7.094
  498    HA   LYS  64           HA       LYS  64  10.965   0.667   9.793
  499   1HB   LYS  64          2HB       LYS  64  12.687   2.887   8.722
  500   2HB   LYS  64          3HB       LYS  64  12.964   1.880  10.137
  501   1HG   LYS  64          2HG       LYS  64  13.249  -0.074   8.567
  502   2HG   LYS  64          3HG       LYS  64  13.179   1.092   7.249
  503   1HD   LYS  64          2HD       LYS  64  15.169   1.164   9.506
  504   2HD   LYS  64          3HD       LYS  64  15.491   0.565   7.876
  505   1HE   LYS  64          2HE       LYS  64  14.936   2.795   6.977
  506   2HE   LYS  64          3HE       LYS  64  14.687   3.377   8.622
  507   1HZ   LYS  64          1HZ       LYS  64  17.105   2.482   8.934
  508   2HZ   LYS  64          2HZ       LYS  64  16.832   4.014   8.253
  509   3HZ   LYS  64          3HZ       LYS  64  17.187   2.694   7.251
  510    H    TYR  65           HN       TYR  65  10.427   3.568   7.858
  511    HA   TYR  65           HA       TYR  65   9.799   5.203  10.066
  512   1HB   TYR  65          2HB       TYR  65   9.722   6.907   8.597
  513   2HB   TYR  65          3HB       TYR  65  10.435   5.747   7.501
  514    HD1  TYR  65           1HD      TYR  65   9.600   5.855   5.314
  515    HD2  TYR  65           2HD      TYR  65   6.974   6.716   8.576
  516    HE1  TYR  65           1HE      TYR  65   7.797   6.424   3.731
  517    HE2  TYR  65           2HE      TYR  65   5.185   7.247   6.996
  518    HH   TYR  65           HH       TYR  65   5.026   6.421   3.996
  519    H    ALA  66           HN       ALA  66   7.737   3.274   7.825
  520    HA   ALA  66           HA       ALA  66   5.337   4.384   8.925
  521   1HB   ALA  66          1HB       ALA  66   4.790   1.828   7.891
  522   2HB   ALA  66          2HB       ALA  66   4.561   3.392   7.112
  523   3HB   ALA  66          3HB       ALA  66   6.077   2.517   6.902
  524    H    ASN  67           HN       ASN  67   6.718   1.120   9.272
  525    HA   ASN  67           HA       ASN  67   6.708   1.051  12.022
  526   1HB   ASN  67          2HB       ASN  67   4.242  -0.148  10.818
  527   2HB   ASN  67          3HB       ASN  67   5.002  -0.955  12.175
  528   1HD2  ASN  67          1HD2      ASN  67   2.581   1.037  11.433
  529   2HD2  ASN  67          2HD2      ASN  67   2.477   1.965  12.885
  530    H    TRP  68           HN       TRP  68   5.886  -1.086   9.393
  531    HA   TRP  68           HA       TRP  68   7.095  -3.412  10.138
  532   1HB   TRP  68          2HB       TRP  68   6.449  -2.228   7.460
  533   2HB   TRP  68          3HB       TRP  68   7.278  -3.776   7.559
  534    HD1  TRP  68           1HD      TRP  68   5.701  -5.685   7.252
  535    HE1  TRP  68           1HE      TRP  68   3.245  -6.211   7.792
  536    HE3  TRP  68           3HE      TRP  68   4.397  -1.293   9.529
  537    HZ2  TRP  68           2HZ      TRP  68   1.054  -4.953   9.024
  538    HZ3  TRP  68           3HZ      TRP  68   2.095  -1.043  10.358
  539    HH2  TRP  68           2HH      TRP  68   0.459  -2.833  10.107
  540    HA   PRO  69           HA       PRO  69  11.518  -2.998   9.486
  541   1HB   PRO  69          2HB       PRO  69  11.507  -5.804   8.642
  542   2HB   PRO  69          3HB       PRO  69  12.270  -5.075  10.057
  543   1HG   PRO  69          2HG       PRO  69  10.134  -6.715  10.253
  544   2HG   PRO  69          3HG       PRO  69  10.406  -5.372  11.379
  545   1HD   PRO  69          2HD       PRO  69   8.559  -5.526   9.022
  546   2HD   PRO  69          3HD       PRO  69   8.276  -4.827  10.632
  547    H    THR  70           HN       THR  70   9.398  -4.666   7.277
  548    HA   THR  70           HA       THR  70  10.602  -3.356   4.956
  549    HB   THR  70           HB       THR  70  10.484  -5.498   3.661
  550    HG1  THR  70           1HG      THR  70  10.471  -7.455   4.916
  551   1HG2  THR  70          1HG2      THR  70  12.525  -6.537   4.919
  552   2HG2  THR  70          2HG2      THR  70  12.391  -5.091   5.925
  553   3HG2  THR  70          3HG2      THR  70  12.662  -4.939   4.187
  554    H    PHE  71           HN       PHE  71   8.681  -5.666   3.685
  555    HA   PHE  71           HA       PHE  71   6.150  -4.270   4.213
  556   1HB   PHE  71          2HB       PHE  71   7.240  -4.755   1.428
  557   2HB   PHE  71          3HB       PHE  71   5.743  -3.934   1.833
  558    HD1  PHE  71           1HD      PHE  71   5.720  -1.621   2.307
  559    HD2  PHE  71           2HD      PHE  71   9.420  -3.692   1.975
  560    HE1  PHE  71           1HE      PHE  71   6.915   0.534   2.255
  561    HE2  PHE  71           2HE      PHE  71  10.614  -1.553   1.924
  562    HZ   PHE  71           HZ       PHE  71   9.360   0.558   2.039
  563    HA   PRO  72           HA       PRO  72   4.636  -4.753   1.434
  564   1HB   PRO  72          2HB       PRO  72   2.057  -5.619   1.490
  565   2HB   PRO  72          3HB       PRO  72   3.256  -6.209   0.339
  566   1HG   PRO  72          2HG       PRO  72   2.251  -7.464   2.852
  567   2HG   PRO  72          3HG       PRO  72   2.660  -8.220   1.303
  568   1HD   PRO  72          2HD       PRO  72   4.294  -8.288   3.475
  569   2HD   PRO  72          3HD       PRO  72   4.891  -8.346   1.807
  570    H    GLN  73           HN       GLN  73   3.216  -3.031   1.772
  571    HA   GLN  73           HA       GLN  73   1.724  -2.902   4.234
  572   1HB   GLN  73          2HB       GLN  73   2.682  -0.831   5.015
  573   2HB   GLN  73          3HB       GLN  73   3.903  -2.055   4.921
  574   1HG   GLN  73          2HG       GLN  73   4.718  -1.142   2.842
  575   2HG   GLN  73          3HG       GLN  73   3.509   0.144   2.960
  576   1HE2  GLN  73          1HE2      GLN  73   4.604  -0.780   5.995
  577   2HE2  GLN  73          2HE2      GLN  73   5.768   0.469   6.243
  578    H    LEU  74           HN       LEU  74  -0.052  -1.808   4.003
  579    HA   LEU  74           HA       LEU  74  -0.627  -0.600   1.417
  580   1HB   LEU  74          2HB       LEU  74  -2.049  -2.403   2.282
  581   2HB   LEU  74          3HB       LEU  74  -2.436  -1.437   3.685
  582    HG   LEU  74           HG       LEU  74  -4.239  -1.591   1.938
  583   1HD1  LEU  74          1HD1      LEU  74  -3.402   0.635   3.441
  584   2HD1  LEU  74          2HD1      LEU  74  -3.922   1.244   1.866
  585   3HD1  LEU  74          3HD1      LEU  74  -5.021   0.268   2.845
  586   1HD2  LEU  74          1HD2      LEU  74  -2.706  -1.457   0.000
  587   2HD2  LEU  74          2HD2      LEU  74  -4.048  -0.316  -0.078
  588   3HD2  LEU  74          3HD2      LEU  74  -2.441   0.247   0.376
  589    H    TRP  75           HN       TRP  75  -1.217   1.489   1.125
  590    HA   TRP  75           HA       TRP  75  -1.312   3.219   3.502
  591   1HB   TRP  75          2HB       TRP  75   0.051   3.796   0.875
  592   2HB   TRP  75          3HB       TRP  75  -0.164   4.961   2.170
  593    HD1  TRP  75           1HD      TRP  75   1.622   1.560   1.602
  594    HE1  TRP  75           1HE      TRP  75   3.685   1.504   3.153
  595    HE3  TRP  75           3HE      TRP  75   0.840   5.940   4.050
  596    HZ2  TRP  75           2HZ      TRP  75   4.819   3.171   5.155
  597    HZ3  TRP  75           3HZ      TRP  75   2.445   6.651   5.774
  598    HH2  TRP  75           2HH      TRP  75   4.388   5.286   6.314
  599    H    VAL  76           HN       VAL  76  -3.047   4.420   3.625
  600    HA   VAL  76           HA       VAL  76  -4.710   4.785   1.221
  601    HB   VAL  76           HB       VAL  76  -5.488   5.048   4.139
  602   1HG1  VAL  76          1HG1      VAL  76  -7.104   6.308   3.199
  603   2HG1  VAL  76          2HG1      VAL  76  -6.906   5.577   1.604
  604   3HG1  VAL  76          3HG1      VAL  76  -7.818   4.724   2.859
  605   1HG2  VAL  76          1HG2      VAL  76  -6.442   2.932   4.049
  606   2HG2  VAL  76          2HG2      VAL  76  -6.383   2.877   2.286
  607   3HG2  VAL  76          3HG2      VAL  76  -4.897   2.732   3.224
  608    H    ASP  77           HN       ASP  77  -4.372   6.735   0.316
  609    HA   ASP  77           HA       ASP  77  -3.870   8.943   0.041
  610   1HB   ASP  77          2HB       ASP  77  -6.005   9.183   1.196
  611   2HB   ASP  77          3HB       ASP  77  -5.153   9.076   2.735
  612    H    GLY  78           HN       GLY  78  -1.987   7.221   1.219
  613   1HA   GLY  78          1HA       GLY  78   0.247   7.450   1.784
  614   2HA   GLY  78          2HA       GLY  78  -0.045   9.153   2.076
  615    H    GLU  79           HN       GLU  79  -1.941   6.668   3.638
  616    HA   GLU  79           HA       GLU  79  -0.346   7.000   6.062
  617   1HB   GLU  79          2HB       GLU  79  -3.353   7.031   5.952
  618   2HB   GLU  79          3HB       GLU  79  -2.424   6.851   7.434
  619   1HG   GLU  79          2HG       GLU  79  -1.348   9.044   6.931
  620   2HG   GLU  79          3HG       GLU  79  -2.485   9.226   5.594
  621    H    LEU  80           HN       LEU  80   0.209   5.203   7.038
  622    HA   LEU  80           HA       LEU  80  -0.124   2.766   5.704
  623   1HB   LEU  80          2HB       LEU  80   1.883   3.276   6.927
  624   2HB   LEU  80          3HB       LEU  80   0.988   3.422   8.430
  625    HG   LEU  80           HG       LEU  80   0.408   0.992   8.225
  626   1HD1  LEU  80          1HD1      LEU  80   0.709   0.139   6.182
  627   2HD1  LEU  80          2HD1      LEU  80   1.933   1.335   5.749
  628   3HD1  LEU  80          3HD1      LEU  80   2.380  -0.076   6.709
  629   1HD2  LEU  80          1HD2      LEU  80   2.150   0.543   9.539
  630   2HD2  LEU  80          2HD2      LEU  80   3.318   0.925   8.276
  631   3HD2  LEU  80          3HD2      LEU  80   2.627   2.218   9.258
  632    H    VAL  81           HN       VAL  81  -1.476   1.177   5.892
  633    HA   VAL  81           HA       VAL  81  -3.206   1.007   8.271
  634    HB   VAL  81           HB       VAL  81  -3.679  -0.151   5.510
  635   1HG1  VAL  81          1HG1      VAL  81  -6.019  -0.524   6.728
  636   2HG1  VAL  81          2HG1      VAL  81  -4.735  -1.734   6.753
  637   3HG1  VAL  81          3HG1      VAL  81  -4.960  -0.657   8.132
  638   1HG2  VAL  81          1HG2      VAL  81  -4.728   2.237   6.935
  639   2HG2  VAL  81          2HG2      VAL  81  -4.361   2.010   5.224
  640   3HG2  VAL  81          3HG2      VAL  81  -5.840   1.328   5.908
  641    H    GLY  82           HN       GLY  82  -1.532  -0.961   5.827
  642   1HA   GLY  82          1HA       GLY  82   0.249  -2.427   7.077
  643   2HA   GLY  82          2HA       GLY  82  -1.205  -3.164   7.740
  644    H    GLY  83           HN       GLY  83   1.036  -3.902   5.627
  645   1HA   GLY  83          1HA       GLY  83  -0.504  -4.139   3.232
  646   2HA   GLY  83          2HA       GLY  83   1.150  -4.664   3.456
  647    H    CYS  84           HN       CYS  84   1.224  -6.747   4.994
  648    HA   CYS  84           HA       CYS  84  -0.070  -8.655   3.349
  649   1HB   CYS  84          2HB       CYS  84   1.095 -10.329   4.819
  650   2HB   CYS  84          3HB       CYS  84   2.147  -9.134   4.074
  651    HG   CYS  84           HG       CYS  84   1.974  -9.958   7.180
  652    H    ASP  85           HN       ASP  85  -0.128  -8.546   6.897
  653    HA   ASP  85           HA       ASP  85  -2.418 -10.233   7.071
  654   1HB   ASP  85          2HB       ASP  85  -0.583 -10.055   8.776
  655   2HB   ASP  85          3HB       ASP  85  -1.187  -8.459   9.195
  656    H    ILE  86           HN       ILE  86  -1.863  -6.815   7.697
  657    HA   ILE  86           HA       ILE  86  -4.368  -6.244   8.675
  658    HB   ILE  86           HB       ILE  86  -2.566  -4.308   7.231
  659   1HG1  ILE  86          2HG1      ILE  86  -1.372  -5.504   9.019
  660   2HG1  ILE  86          3HG1      ILE  86  -1.646  -3.823   9.457
  661   1HG2  ILE  86          1HG2      ILE  86  -3.708  -2.601   8.402
  662   2HG2  ILE  86          2HG2      ILE  86  -4.960  -3.643   7.725
  663   3HG2  ILE  86          3HG2      ILE  86  -4.541  -3.762   9.435
  664   1HD1  ILE  86          1HD1      ILE  86  -2.883  -4.365  11.224
  665   2HD1  ILE  86          2HD1      ILE  86  -3.741  -5.641  10.360
  666   3HD1  ILE  86          3HD1      ILE  86  -2.150  -5.959  11.050
  667    H    VAL  87           HN       VAL  87  -3.271  -6.002   5.272
  668    HA   VAL  87           HA       VAL  87  -5.615  -4.814   4.281
  669    HB   VAL  87           HB       VAL  87  -3.683  -6.676   2.892
  670   1HG1  VAL  87          1HG1      VAL  87  -6.031  -6.673   1.925
  671   2HG1  VAL  87          2HG1      VAL  87  -5.772  -4.966   1.561
  672   3HG1  VAL  87          3HG1      VAL  87  -4.737  -6.191   0.828
  673   1HG2  VAL  87          1HG2      VAL  87  -4.004  -3.856   2.107
  674   2HG2  VAL  87          2HG2      VAL  87  -3.289  -4.135   3.696
  675   3HG2  VAL  87          3HG2      VAL  87  -2.543  -4.835   2.259
  676    H    ILE  88           HN       ILE  88  -4.757  -8.261   4.611
  677    HA   ILE  88           HA       ILE  88  -7.213  -9.274   3.659
  678    HB   ILE  88           HB       ILE  88  -5.212 -10.473   5.572
  679   1HG1  ILE  88          2HG1      ILE  88  -4.414 -10.098   3.271
  680   2HG1  ILE  88          3HG1      ILE  88  -4.561 -11.818   3.626
  681   1HG2  ILE  88          1HG2      ILE  88  -6.398 -12.649   4.900
  682   2HG2  ILE  88          2HG2      ILE  88  -7.167 -11.627   6.114
  683   3HG2  ILE  88          3HG2      ILE  88  -7.750 -11.610   4.449
  684   1HD1  ILE  88          1HD1      ILE  88  -5.651 -11.932   1.688
  685   2HD1  ILE  88          2HD1      ILE  88  -7.011 -11.222   2.559
  686   3HD1  ILE  88          3HD1      ILE  88  -5.920 -10.189   1.633
  687    H    GLU  89           HN       GLU  89  -6.093  -8.518   6.957
  688    HA   GLU  89           HA       GLU  89  -8.438  -9.318   8.276
  689   1HB   GLU  89          2HB       GLU  89  -6.403  -8.868   9.509
  690   2HB   GLU  89          3HB       GLU  89  -6.436  -7.179   9.020
  691   1HG   GLU  89          2HG       GLU  89  -8.486  -6.839  10.300
  692   2HG   GLU  89          3HG       GLU  89  -8.480  -8.538  10.761
  693    H    MET  90           HN       MET  90  -7.491  -6.018   7.269
  694    HA   MET  90           HA       MET  90  -9.887  -4.776   8.028
  695   1HB   MET  90          2HB       MET  90  -7.869  -3.979   5.930
  696   2HB   MET  90          3HB       MET  90  -9.192  -2.949   6.461
  697   1HG   MET  90          2HG       MET  90  -6.969  -4.010   8.187
  698   2HG   MET  90          3HG       MET  90  -7.114  -2.365   7.571
  699   1HE   MET  90          1HE       MET  90  -6.384  -2.429  10.013
  700   2HE   MET  90          2HE       MET  90  -7.467  -1.237  10.727
  701   3HE   MET  90          3HE       MET  90  -7.402  -2.872  11.380
  702    H    TYR  91           HN       TYR  91  -8.975  -6.405   5.099
  703    HA   TYR  91           HA       TYR  91 -11.177  -5.803   3.436
  704   1HB   TYR  91          2HB       TYR  91  -9.355  -6.903   2.457
  705   2HB   TYR  91          3HB       TYR  91  -9.212  -8.055   3.771
  706    HD1  TYR  91           1HD      TYR  91  -9.913 -10.170   3.482
  707    HD2  TYR  91           2HD      TYR  91 -11.527  -7.150   0.964
  708    HE1  TYR  91           1HE      TYR  91 -11.023 -11.892   2.163
  709    HE2  TYR  91           2HE      TYR  91 -12.651  -8.846  -0.375
  710    HH   TYR  91           HH       TYR  91 -12.999 -11.052  -0.695
  711    H    GLN  92           HN       GLN  92 -10.636  -8.466   5.729
  712    HA   GLN  92           HA       GLN  92 -13.215  -9.598   5.466
  713   1HB   GLN  92          2HB       GLN  92 -11.315  -9.745   7.818
  714   2HB   GLN  92          3HB       GLN  92 -12.686 -10.811   7.536
  715   1HG   GLN  92          2HG       GLN  92 -11.628 -11.652   5.500
  716   2HG   GLN  92          3HG       GLN  92 -10.261 -10.567   5.761
  717   1HE2  GLN  92          1HE2      GLN  92 -11.175 -13.647   6.028
  718   2HE2  GLN  92          2HE2      GLN  92 -10.160 -14.168   7.324
  719    H    ARG  93           HN       ARG  93 -11.862  -7.184   7.649
  720    HA   ARG  93           HA       ARG  93 -14.089  -6.873   9.349
  721   1HB   ARG  93          2HB       ARG  93 -12.066  -4.760   8.576
  722   2HB   ARG  93          3HB       ARG  93 -13.087  -4.759   9.998
  723   1HG   ARG  93          2HG       ARG  93 -10.833  -6.656   9.410
  724   2HG   ARG  93          3HG       ARG  93 -10.831  -5.342  10.588
  725   1HD   ARG  93          2HD       ARG  93 -12.551  -7.814  10.662
  726   2HD   ARG  93          3HD       ARG  93 -11.165  -7.476  11.691
  727    HE   ARG  93           HE       ARG  93 -13.820  -6.617  12.112
  728   1HH1  ARG  93          2HH1      ARG  93 -10.512  -5.507  12.468
  729   2HH1  ARG  93          1HH1      ARG  93 -10.901  -4.323  13.678
  730   1HH2  ARG  93          2HH2      ARG  93 -14.326  -5.085  13.710
  731   2HH2  ARG  93          1HH2      ARG  93 -13.076  -4.083  14.385
  732    H    GLY  94           HN       GLY  94 -13.244  -5.512   6.235
  733   1HA   GLY  94          1HA       GLY  94 -14.792  -4.535   4.709
  734   2HA   GLY  94          2HA       GLY  94 -15.878  -4.224   6.057
  735    H    GLU  95           HN       GLU  95 -13.520  -3.224   7.650
  736    HA   GLU  95           HA       GLU  95 -13.891  -0.507   7.208
  737   1HB   GLU  95          2HB       GLU  95 -11.651  -1.918   8.647
  738   2HB   GLU  95          3HB       GLU  95 -11.941  -0.183   8.722
  739   1HG   GLU  95          2HG       GLU  95 -14.186  -0.632   9.638
  740   2HG   GLU  95          3HG       GLU  95 -13.814  -2.355   9.637
  741    H    LEU  96           HN       LEU  96 -11.621  -2.650   5.700
  742    HA   LEU  96           HA       LEU  96  -9.683  -0.802   4.833
  743   1HB   LEU  96          2HB       LEU  96  -9.444  -3.277   4.721
  744   2HB   LEU  96          3HB       LEU  96 -10.619  -3.313   3.429
  745    HG   LEU  96           HG       LEU  96  -7.971  -1.871   3.190
  746   1HD1  LEU  96          1HD1      LEU  96  -8.680  -4.637   2.232
  747   2HD1  LEU  96          2HD1      LEU  96  -7.137  -3.806   2.028
  748   3HD1  LEU  96          3HD1      LEU  96  -7.673  -4.287   3.637
  749   1HD2  LEU  96          1HD2      LEU  96  -8.464  -2.351   0.726
  750   2HD2  LEU  96          2HD2      LEU  96 -10.119  -2.672   1.245
  751   3HD2  LEU  96          3HD2      LEU  96  -9.407  -1.080   1.503
  752    H    GLN  97           HN       GLN  97 -12.415  -2.167   3.019
  753    HA   GLN  97           HA       GLN  97 -12.262  -0.348   0.874
  754   1HB   GLN  97          2HB       GLN  97 -14.669  -1.011   0.476
  755   2HB   GLN  97          3HB       GLN  97 -13.501  -2.322   0.500
  756   1HG   GLN  97          2HG       GLN  97 -14.139  -2.765   2.850
  757   2HG   GLN  97          3HG       GLN  97 -15.385  -1.531   2.697
  758   1HE2  GLN  97          1HE2      GLN  97 -14.711  -4.765   2.462
  759   2HE2  GLN  97          2HE2      GLN  97 -16.086  -5.255   1.518
  760    H    GLN  98           HN       GLN  98 -13.599  -0.063   4.043
  761    HA   GLN  98           HA       GLN  98 -15.410   2.050   3.577
  762   1HB   GLN  98          2HB       GLN  98 -13.928   1.189   6.061
  763   2HB   GLN  98          3HB       GLN  98 -15.133   2.454   6.059
  764   1HG   GLN  98          2HG       GLN  98 -15.606  -0.405   5.272
  765   2HG   GLN  98          3HG       GLN  98 -16.011   0.307   6.829
  766   1HE2  GLN  98          1HE2      GLN  98 -16.618   2.740   4.785
  767   2HE2  GLN  98          2HE2      GLN  98 -18.273   2.421   4.398
  768    H    LEU  99           HN       LEU  99 -12.109   2.110   4.917
  769    HA   LEU  99           HA       LEU  99 -11.972   4.944   4.730
  770   1HB   LEU  99          2HB       LEU  99  -9.520   4.581   5.246
  771   2HB   LEU  99          3HB       LEU  99 -10.686   4.076   6.447
  772    HG   LEU  99           HG       LEU  99 -10.414   1.724   5.527
  773   1HD1  LEU  99          1HD1      LEU  99  -8.379   3.153   3.934
  774   2HD1  LEU  99          2HD1      LEU  99  -7.942   1.572   4.582
  775   3HD1  LEU  99          3HD1      LEU  99  -9.352   1.738   3.535
  776   1HD2  LEU  99          1HD2      LEU  99  -8.390   1.329   6.828
  777   2HD2  LEU  99          2HD2      LEU  99  -8.039   3.057   6.814
  778   3HD2  LEU  99          3HD2      LEU  99  -9.470   2.456   7.649
  779    H    ILE 100           HN       ILE 100 -11.099   2.326   2.588
  780    HA   ILE 100           HA       ILE 100  -9.544   3.873   0.784
  781    HB   ILE 100           HB       ILE 100 -11.128   1.346   0.313
  782   1HG1  ILE 100          2HG1      ILE 100  -9.165   1.120   1.789
  783   2HG1  ILE 100          3HG1      ILE 100  -8.937   0.266   0.268
  784   1HG2  ILE 100          1HG2      ILE 100 -10.082   3.177  -1.615
  785   2HG2  ILE 100          2HG2      ILE 100  -9.164   1.673  -1.685
  786   3HG2  ILE 100          3HG2      ILE 100 -10.916   1.644  -1.875
  787   1HD1  ILE 100          1HD1      ILE 100  -6.943   1.267   0.264
  788   2HD1  ILE 100          2HD1      ILE 100  -7.834   2.682  -0.300
  789   3HD1  ILE 100          3HD1      ILE 100  -7.453   2.507   1.412
  790    H    LYS 101           HN       LYS 101 -13.042   3.035   0.798
  791    HA   LYS 101           HA       LYS 101 -13.666   4.194  -1.627
  792   1HB   LYS 101          2HB       LYS 101 -15.296   2.840  -0.397
  793   2HB   LYS 101          3HB       LYS 101 -15.440   4.112   0.821
  794   1HG   LYS 101          2HG       LYS 101 -16.181   5.655  -0.925
  795   2HG   LYS 101          3HG       LYS 101 -16.119   4.349  -2.087
  796   1HD   LYS 101          2HD       LYS 101 -18.392   4.607  -1.441
  797   2HD   LYS 101          3HD       LYS 101 -17.800   3.136  -0.668
  798   1HE   LYS 101          2HE       LYS 101 -17.519   4.294   1.426
  799   2HE   LYS 101          3HE       LYS 101 -17.947   5.831   0.676
  800   1HZ   LYS 101          1HZ       LYS 101 -19.654   4.005   1.875
  801   2HZ   LYS 101          2HZ       LYS 101 -19.994   3.931   0.211
  802   3HZ   LYS 101          3HZ       LYS 101 -20.081   5.412   1.029
  803    H    GLU 102           HN       GLU 102 -13.875   5.692   1.577
  804    HA   GLU 102           HA       GLU 102 -14.814   8.168   0.767
  805   1HB   GLU 102          2HB       GLU 102 -14.714   7.503   3.115
  806   2HB   GLU 102          3HB       GLU 102 -12.956   7.545   3.072
  807   1HG   GLU 102          2HG       GLU 102 -13.016   9.943   2.654
  808   2HG   GLU 102          3HG       GLU 102 -14.778   9.904   2.669
  809    H    THR 103           HN       THR 103 -11.479   7.041   1.069
  810    HA   THR 103           HA       THR 103 -10.298   9.499   0.254
  811    HB   THR 103           HB       THR 103  -9.112   6.724   0.181
  812    HG1  THR 103           1HG      THR 103  -9.599   7.018   2.289
  813   1HG2  THR 103          1HG2      THR 103  -7.848   8.378  -1.088
  814   2HG2  THR 103          2HG2      THR 103  -6.979   7.888   0.367
  815   3HG2  THR 103          3HG2      THR 103  -7.816   9.440   0.321
  816    H    ALA 104           HN       ALA 104 -10.843   6.402  -1.425
  817    HA   ALA 104           HA       ALA 104  -9.715   7.163  -3.865
  818   1HB   ALA 104          1HB       ALA 104 -11.253   5.297  -4.776
  819   2HB   ALA 104          2HB       ALA 104  -9.990   4.882  -3.617
  820   3HB   ALA 104          3HB       ALA 104 -11.663   5.035  -3.081
  821    H    ALA 105           HN       ALA 105 -13.103   7.280  -2.782
  822    HA   ALA 105           HA       ALA 105 -14.236   8.047  -5.205
  823   1HB   ALA 105          1HB       ALA 105 -15.072   7.981  -2.417
  824   2HB   ALA 105          2HB       ALA 105 -15.859   9.250  -3.355
  825   3HB   ALA 105          3HB       ALA 105 -15.964   7.571  -3.883
  826    H    LYS 106           HN       LYS 106 -12.920  10.091  -2.611
  827    HA   LYS 106           HA       LYS 106 -13.762  12.465  -3.925
  828   1HB   LYS 106          2HB       LYS 106 -12.450  13.673  -2.220
  829   2HB   LYS 106          3HB       LYS 106 -13.573  12.512  -1.540
  830   1HG   LYS 106          2HG       LYS 106 -11.697  12.233  -0.250
  831   2HG   LYS 106          3HG       LYS 106 -11.550  10.941  -1.436
  832   1HD   LYS 106          2HD       LYS 106  -9.404  11.889  -1.246
  833   2HD   LYS 106          3HD       LYS 106 -10.062  12.496  -2.760
  834   1HE   LYS 106          2HE       LYS 106 -10.036  14.003  -0.145
  835   2HE   LYS 106          3HE       LYS 106  -8.866  14.217  -1.439
  836   1HZ   LYS 106          1HZ       LYS 106 -10.699  15.887  -1.337
  837   2HZ   LYS 106          2HZ       LYS 106 -11.772  14.664  -1.801
  838   3HZ   LYS 106          3HZ       LYS 106 -10.516  15.126  -2.842
  839    H    TYR 107           HN       TYR 107 -10.945  10.456  -4.182
  840    HA   TYR 107           HA       TYR 107  -9.524  12.529  -5.665
  841   1HB   TYR 107          2HB       TYR 107  -8.734   9.711  -4.939
  842   2HB   TYR 107          3HB       TYR 107  -7.764  10.737  -5.993
  843    HD1  TYR 107           1HD      TYR 107  -7.941   9.569  -2.769
  844    HD2  TYR 107           2HD      TYR 107  -7.533  13.244  -4.881
  845    HE1  TYR 107           1HE      TYR 107  -6.896  10.551  -0.811
  846    HE2  TYR 107           2HE      TYR 107  -6.473  14.256  -2.915
  847    HH   TYR 107           HH       TYR 107  -5.508  12.386  -0.168
  848    H    LYS 108           HN       LYS 108 -10.950   9.337  -6.318
  849    HA   LYS 108           HA       LYS 108 -10.646   9.599  -9.193
  850   1HB   LYS 108          2HB       LYS 108 -12.122   7.658  -7.411
  851   2HB   LYS 108          3HB       LYS 108 -12.304   7.623  -9.143
  852   1HG   LYS 108          2HG       LYS 108 -10.815   5.896  -8.495
  853   2HG   LYS 108          3HG       LYS 108  -9.901   7.119  -9.363
  854   1HD   LYS 108          2HD       LYS 108  -9.994   7.187  -6.377
  855   2HD   LYS 108          3HD       LYS 108  -8.947   6.023  -7.188
  856   1HE   LYS 108          2HE       LYS 108  -8.902   9.016  -7.550
  857   2HE   LYS 108          3HE       LYS 108  -7.740   8.063  -6.630
  858   1HZ   LYS 108          1HZ       LYS 108  -6.618   8.127  -8.570
  859   2HZ   LYS 108          2HZ       LYS 108  -8.003   8.400  -9.503
  860   3HZ   LYS 108          3HZ       LYS 108  -7.628   6.832  -8.985
  861    H    SER 109           HN       SER 109 -13.226   8.712  -9.887
  862    HA   SER 109           HA       SER 109 -14.837  11.096  -9.576
  863   1HB   SER 109          2HB       SER 109 -16.520   9.635 -10.867
  864   2HB   SER 109          3HB       SER 109 -15.066  10.151 -11.717
  865    HG   SER 109           HG       SER 109 -15.677   7.589 -10.640
  866    H    GLU 110           HN       GLU 110 -17.361  10.010  -9.241
  867    HA   GLU 110           HA       GLU 110 -17.425   9.649  -6.429
  868   1HB   GLU 110          2HB       GLU 110 -19.891   9.405  -6.793
  869   2HB   GLU 110          3HB       GLU 110 -19.174  10.864  -7.462
  870   1HG   GLU 110          2HG       GLU 110 -19.128   9.767  -9.679
  871   2HG   GLU 110          3HG       GLU 110 -19.982   8.394  -8.973
  872    H    GLU 111           HN       GLU 111 -15.877   7.668  -6.896
  873    HA   GLU 111           HA       GLU 111 -17.077   5.200  -7.606
  874   1HB   GLU 111          2HB       GLU 111 -14.472   5.807  -6.188
  875   2HB   GLU 111          3HB       GLU 111 -14.921   4.236  -6.869
  876   1HG   GLU 111          2HG       GLU 111 -14.527   6.815  -8.371
  877   2HG   GLU 111          3HG       GLU 111 -13.473   5.401  -8.397
  878    HA   PRO 112           HA       PRO 112 -18.714   4.253  -3.578
  879   1HB   PRO 112          2HB       PRO 112 -20.418   2.403  -4.406
  880   2HB   PRO 112          3HB       PRO 112 -20.673   4.109  -4.770
  881   1HG   PRO 112          2HG       PRO 112 -19.827   1.900  -6.542
  882   2HG   PRO 112          3HG       PRO 112 -20.642   3.417  -6.950
  883   1HD   PRO 112          2HD       PRO 112 -17.856   2.804  -7.175
  884   2HD   PRO 112          3HD       PRO 112 -18.672   4.337  -7.524
  885    H    ASP 113           HN       ASP 113 -16.256   3.142  -3.816
  886    HA   ASP 113           HA       ASP 113 -15.867   0.498  -4.262
  887   1HB   ASP 113          2HB       ASP 113 -14.548   2.136  -2.093
  888   2HB   ASP 113          3HB       ASP 113 -13.945   0.598  -2.704
  889    H    ALA 114           HN       ALA 114 -16.360   1.748  -0.949
  890    HA   ALA 114           HA       ALA 114 -16.713  -0.871   0.118
  891   1HB   ALA 114          1HB       ALA 114 -16.153   0.247   1.950
  892   2HB   ALA 114          2HB       ALA 114 -16.436   1.792   1.147
  893   3HB   ALA 114          3HB       ALA 114 -17.764   0.963   1.957
  894    H    GLU 115           HN       GLU 115 -18.901   1.797  -0.545
  895    HA   GLU 115           HA       GLU 115 -21.186   0.067  -0.813
  896   1HB   GLU 115          2HB       GLU 115 -20.927   0.285   1.643
  897   2HB   GLU 115          3HB       GLU 115 -20.948   2.028   1.493
  898   1HG   GLU 115          2HG       GLU 115 -23.267   0.273   0.733
  899   2HG   GLU 115          3HG       GLU 115 -23.050   0.963   2.336
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  20.861   6.017   8.966
    2   2H    MET   1          2H        MET   1  20.004   7.113   9.938
    3   3H    MET   1          3H        MET   1  20.020   7.304   8.251
    4    HA   MET   1           HA       MET   1  19.052   4.941   8.239
    5   1HB   MET   1          2HB       MET   1  17.561   4.547  10.177
    6   2HB   MET   1          3HB       MET   1  19.263   4.501  10.585
    7   1HG   MET   1          2HG       MET   1  18.203   5.592  12.356
    8   2HG   MET   1          3HG       MET   1  19.001   6.861  11.432
    9   1HE   MET   1          1HE       MET   1  16.822   7.413  13.632
   10   2HE   MET   1          2HE       MET   1  17.510   8.736  12.691
   11   3HE   MET   1          3HE       MET   1  15.763   8.589  12.858
   12    H    SER   2           HN       SER   2  18.150   8.196   9.226
   13    HA   SER   2           HA       SER   2  15.567   8.093   7.948
   14   1HB   SER   2          2HB       SER   2  15.539  10.541   8.455
   15   2HB   SER   2          3HB       SER   2  15.854   9.539   9.872
   16    HG   SER   2           HG       SER   2  17.763  10.958   8.316
   17    H    THR   3           HN       THR   3  16.916   7.219   5.983
   18    HA   THR   3           HA       THR   3  18.499   8.999   4.501
   19    HB   THR   3           HB       THR   3  17.097   6.579   3.353
   20    HG1  THR   3           1HG      THR   3  18.202   5.376   4.703
   21   1HG2  THR   3          1HG2      THR   3  19.887   7.644   2.890
   22   2HG2  THR   3          2HG2      THR   3  18.510   8.036   1.863
   23   3HG2  THR   3          3HG2      THR   3  19.065   6.368   1.992
   24    H    THR   4           HN       THR   4  16.856   7.957   1.952
   25    HA   THR   4           HA       THR   4  15.792  10.527   1.373
   26    HB   THR   4           HB       THR   4  15.101   9.439  -0.786
   27    HG1  THR   4           1HG      THR   4  15.453   7.305  -1.063
   28   1HG2  THR   4          1HG2      THR   4  17.960   9.067   0.128
   29   2HG2  THR   4          2HG2      THR   4  17.270  10.512  -0.611
   30   3HG2  THR   4          3HG2      THR   4  17.425   9.029  -1.552
   31    H    ILE   5           HN       ILE   5  14.365   9.380   3.576
   32    HA   ILE   5           HA       ILE   5  11.855   8.352   2.770
   33    HB   ILE   5           HB       ILE   5  12.827   9.614   5.310
   34   1HG1  ILE   5          2HG1      ILE   5  11.584   6.925   4.794
   35   2HG1  ILE   5          3HG1      ILE   5  13.314   7.205   4.588
   36   1HG2  ILE   5          1HG2      ILE   5  10.665   9.224   6.325
   37   2HG2  ILE   5          2HG2      ILE   5  10.491  10.341   4.968
   38   3HG2  ILE   5          3HG2      ILE   5  10.020   8.648   4.785
   39   1HD1  ILE   5          1HD1      ILE   5  11.716   7.449   7.126
   40   2HD1  ILE   5          2HD1      ILE   5  12.906   6.209   6.730
   41   3HD1  ILE   5          3HD1      ILE   5  13.419   7.878   6.974
   42    H    GLU   6           HN       GLU   6  13.034  11.656   3.236
   43    HA   GLU   6           HA       GLU   6  10.588  12.988   3.110
   44   1HB   GLU   6          2HB       GLU   6  13.234  13.893   1.963
   45   2HB   GLU   6          3HB       GLU   6  11.846  14.928   2.263
   46   1HG   GLU   6          2HG       GLU   6  12.008  14.404   4.659
   47   2HG   GLU   6          3HG       GLU   6  13.454  13.449   4.328
   48    H    LYS   7           HN       LYS   7  12.739  11.983   0.470
   49    HA   LYS   7           HA       LYS   7  11.106  12.886  -1.662
   50   1HB   LYS   7          2HB       LYS   7  13.104  10.619  -1.597
   51   2HB   LYS   7          3HB       LYS   7  12.397  11.301  -3.055
   52   1HG   LYS   7          2HG       LYS   7  13.441  13.455  -2.541
   53   2HG   LYS   7          3HG       LYS   7  14.171  12.746  -1.100
   54   1HD   LYS   7          2HD       LYS   7  15.768  12.802  -2.936
   55   2HD   LYS   7          3HD       LYS   7  15.373  11.137  -2.507
   56   1HE   LYS   7          2HE       LYS   7  13.824  11.008  -4.389
   57   2HE   LYS   7          3HE       LYS   7  14.169  12.687  -4.804
   58   1HZ   LYS   7          1HZ       LYS   7  15.732  11.851  -6.123
   59   2HZ   LYS   7          2HZ       LYS   7  15.657  10.315  -5.419
   60   3HZ   LYS   7          3HZ       LYS   7  16.627  11.520  -4.723
   61    H    ILE   8           HN       ILE   8  11.355   9.818   0.046
   62    HA   ILE   8           HA       ILE   8   9.569   8.339  -1.508
   63    HB   ILE   8           HB       ILE   8  10.350   8.088   1.387
   64   1HG1  ILE   8          2HG1      ILE   8  11.161   6.532  -1.080
   65   2HG1  ILE   8          3HG1      ILE   8  12.134   7.767  -0.292
   66   1HG2  ILE   8          1HG2      ILE   8   9.361   5.652   0.272
   67   2HG2  ILE   8          2HG2      ILE   8   8.817   6.532   1.702
   68   3HG2  ILE   8          3HG2      ILE   8   8.140   6.916   0.119
   69   1HD1  ILE   8          1HD1      ILE   8  12.940   6.300   1.154
   70   2HD1  ILE   8          2HD1      ILE   8  11.328   5.727   1.577
   71   3HD1  ILE   8          3HD1      ILE   8  12.173   5.042   0.189
   72    H    GLN   9           HN       GLN   9   8.984  10.276   1.431
   73    HA   GLN   9           HA       GLN   9   6.241   9.634   1.542
   74   1HB   GLN   9          2HB       GLN   9   7.790  11.907   2.759
   75   2HB   GLN   9          3HB       GLN   9   6.055  11.719   2.990
   76   1HG   GLN   9          2HG       GLN   9   6.505   9.446   3.907
   77   2HG   GLN   9          3HG       GLN   9   8.227   9.820   3.826
   78   1HE2  GLN   9          1HE2      GLN   9   8.967  10.264   5.770
   79   2HE2  GLN   9          2HE2      GLN   9   8.162  11.215   6.980
   80    H    ARG  10           HN       ARG  10   8.008  12.079  -0.203
   81    HA   ARG  10           HA       ARG  10   5.839  13.664  -1.080
   82   1HB   ARG  10          2HB       ARG  10   8.298  12.842  -2.644
   83   2HB   ARG  10          3HB       ARG  10   7.209  14.144  -3.070
   84   1HG   ARG  10          2HG       ARG  10   8.956  14.068  -0.623
   85   2HG   ARG  10          3HG       ARG  10   9.322  14.927  -2.114
   86   1HD   ARG  10          2HD       ARG  10   8.479  16.541  -0.624
   87   2HD   ARG  10          3HD       ARG  10   7.170  16.203  -1.752
   88    HE   ARG  10           HE       ARG  10   6.857  14.542   0.472
   89   1HH1  ARG  10          2HH1      ARG  10   6.707  17.936  -0.366
   90   2HH1  ARG  10          1HH1      ARG  10   5.614  18.339   0.922
   91   1HH2  ARG  10          2HH2      ARG  10   5.419  15.068   2.177
   92   2HH2  ARG  10          1HH2      ARG  10   4.885  16.710   2.370
   93    H    GLN  11           HN       GLN  11   7.225  10.629  -2.190
   94    HA   GLN  11           HA       GLN  11   5.602  10.305  -4.496
   95   1HB   GLN  11          2HB       GLN  11   7.752   9.172  -4.230
   96   2HB   GLN  11          3HB       GLN  11   7.125   8.266  -2.862
   97   1HG   GLN  11          2HG       GLN  11   7.161   6.863  -4.803
   98   2HG   GLN  11          3HG       GLN  11   5.488   7.196  -4.356
   99   1HE2  GLN  11          1HE2      GLN  11   4.198   7.750  -5.938
  100   2HE2  GLN  11          2HE2      GLN  11   4.665   8.425  -7.458
  101    H    ILE  12           HN       ILE  12   5.373   9.017  -1.211
  102    HA   ILE  12           HA       ILE  12   3.185   7.301  -1.688
  103    HB   ILE  12           HB       ILE  12   3.964   8.599   0.935
  104   1HG1  ILE  12          2HG1      ILE  12   4.822   5.989  -0.333
  105   2HG1  ILE  12          3HG1      ILE  12   5.851   7.339   0.151
  106   1HG2  ILE  12          1HG2      ILE  12   2.647   7.009   2.051
  107   2HG2  ILE  12          2HG2      ILE  12   1.638   7.594   0.728
  108   3HG2  ILE  12          3HG2      ILE  12   2.446   6.032   0.597
  109   1HD1  ILE  12          1HD1      ILE  12   6.198   6.292   2.055
  110   2HD1  ILE  12          2HD1      ILE  12   4.507   6.584   2.464
  111   3HD1  ILE  12          3HD1      ILE  12   4.977   5.076   1.677
  112    H    ALA  13           HN       ALA  13   3.418  10.572  -0.509
  113    HA   ALA  13           HA       ALA  13   0.748  11.081   0.098
  114   1HB   ALA  13          1HB       ALA  13   1.356  13.273   0.318
  115   2HB   ALA  13          2HB       ALA  13   2.946  12.511   0.388
  116   3HB   ALA  13          3HB       ALA  13   2.385  13.248  -1.113
  117    H    GLU  14           HN       GLU  14   2.431  11.139  -3.003
  118    HA   GLU  14           HA       GLU  14   0.523  12.554  -4.471
  119   1HB   GLU  14          2HB       GLU  14   2.244  10.321  -5.543
  120   2HB   GLU  14          3HB       GLU  14   1.510  11.622  -6.463
  121   1HG   GLU  14          2HG       GLU  14   2.934  13.193  -5.079
  122   2HG   GLU  14          3HG       GLU  14   3.791  11.758  -4.540
  123    H    ASN  15           HN       ASN  15   0.891   9.065  -3.974
  124    HA   ASN  15           HA       ASN  15  -1.362   8.466  -5.628
  125   1HB   ASN  15          2HB       ASN  15   0.260   6.736  -3.762
  126   2HB   ASN  15          3HB       ASN  15  -1.013   6.129  -4.815
  127   1HD2  ASN  15          1HD2      ASN  15   2.222   6.473  -4.539
  128   2HD2  ASN  15          2HD2      ASN  15   2.660   6.454  -6.211
  129    HA   PRO  16           HA       PRO  16  -4.469   9.156  -2.550
  130   1HB   PRO  16          2HB       PRO  16  -6.518   8.034  -3.964
  131   2HB   PRO  16          3HB       PRO  16  -5.895   9.657  -4.275
  132   1HG   PRO  16          2HG       PRO  16  -5.302   7.098  -5.705
  133   2HG   PRO  16          3HG       PRO  16  -5.618   8.710  -6.375
  134   1HD   PRO  16          2HD       PRO  16  -3.127   7.724  -6.145
  135   2HD   PRO  16          3HD       PRO  16  -3.474   9.452  -5.933
  136    H    ILE  17           HN       ILE  17  -4.223   6.044  -4.209
  137    HA   ILE  17           HA       ILE  17  -4.709   4.718  -1.622
  138    HB   ILE  17           HB       ILE  17  -5.545   3.601  -4.317
  139   1HG1  ILE  17          2HG1      ILE  17  -6.899   5.602  -3.882
  140   2HG1  ILE  17          3HG1      ILE  17  -7.882   4.144  -3.733
  141   1HG2  ILE  17          1HG2      ILE  17  -5.211   1.877  -2.726
  142   2HG2  ILE  17          2HG2      ILE  17  -6.088   2.768  -1.478
  143   3HG2  ILE  17          3HG2      ILE  17  -6.955   2.112  -2.875
  144   1HD1  ILE  17          1HD1      ILE  17  -7.002   4.587  -1.159
  145   2HD1  ILE  17          2HD1      ILE  17  -7.261   6.223  -1.778
  146   3HD1  ILE  17          3HD1      ILE  17  -8.576   5.041  -1.810
  147    H    LEU  18           HN       LEU  18  -2.817   3.652  -1.087
  148    HA   LEU  18           HA       LEU  18  -1.122   2.850  -3.357
  149   1HB   LEU  18          2HB       LEU  18  -0.514   5.034  -2.293
  150   2HB   LEU  18          3HB       LEU  18  -0.142   4.150  -0.827
  151    HG   LEU  18           HG       LEU  18   1.621   2.921  -2.003
  152   1HD1  LEU  18          1HD1      LEU  18   0.747   4.589  -4.352
  153   2HD1  LEU  18          2HD1      LEU  18   2.271   3.707  -4.280
  154   3HD1  LEU  18          3HD1      LEU  18   0.742   2.831  -4.222
  155   1HD2  LEU  18          1HD2      LEU  18   3.055   4.994  -2.541
  156   2HD2  LEU  18          2HD2      LEU  18   1.636   5.935  -2.079
  157   3HD2  LEU  18          3HD2      LEU  18   2.403   4.858  -0.908
  158    H    LEU  19           HN       LEU  19   0.098   1.083  -3.172
  159    HA   LEU  19           HA       LEU  19   0.015  -0.484  -0.690
  160   1HB   LEU  19          2HB       LEU  19  -1.748  -1.425  -1.894
  161   2HB   LEU  19          3HB       LEU  19  -0.945  -1.212  -3.434
  162    HG   LEU  19           HG       LEU  19   0.602  -3.029  -2.877
  163   1HD1  LEU  19          1HD1      LEU  19  -0.106  -2.606  -0.268
  164   2HD1  LEU  19          2HD1      LEU  19  -1.032  -4.055  -0.664
  165   3HD1  LEU  19          3HD1      LEU  19   0.722  -4.047  -0.868
  166   1HD2  LEU  19          1HD2      LEU  19  -2.305  -3.774  -2.616
  167   2HD2  LEU  19          2HD2      LEU  19  -1.458  -3.427  -4.125
  168   3HD2  LEU  19          3HD2      LEU  19  -0.997  -4.828  -3.156
  169    H    TYR  20           HN       TYR  20   2.082  -1.026  -0.166
  170    HA   TYR  20           HA       TYR  20   4.045  -1.135  -2.347
  171   1HB   TYR  20          2HB       TYR  20   4.293  -0.826   0.623
  172   2HB   TYR  20          3HB       TYR  20   5.673  -1.346  -0.342
  173    HD1  TYR  20           1HD      TYR  20   7.164   0.304  -0.796
  174    HD2  TYR  20           2HD      TYR  20   3.035   1.335  -0.636
  175    HE1  TYR  20           1HE      TYR  20   7.735   2.627  -1.345
  176    HE2  TYR  20           2HE      TYR  20   3.605   3.656  -1.186
  177    HH   TYR  20           HH       TYR  20   6.526   4.972  -0.900
  178    H    MET  21           HN       MET  21   4.607  -3.014  -3.182
  179    HA   MET  21           HA       MET  21   4.869  -5.315  -1.440
  180   1HB   MET  21          2HB       MET  21   3.577  -6.721  -3.060
  181   2HB   MET  21          3HB       MET  21   2.633  -5.614  -2.085
  182   1HG   MET  21          2HG       MET  21   2.609  -4.060  -4.043
  183   2HG   MET  21          3HG       MET  21   3.363  -5.345  -4.991
  184   1HE   MET  21          1HE       MET  21  -0.250  -5.567  -6.392
  185   2HE   MET  21          2HE       MET  21   0.448  -4.043  -5.849
  186   3HE   MET  21          3HE       MET  21   1.446  -5.210  -6.717
  187    H    LYS  22           HN       LYS  22   5.203  -7.285  -3.416
  188    HA   LYS  22           HA       LYS  22   7.847  -6.525  -4.415
  189   1HB   LYS  22          2HB       LYS  22   7.766  -8.549  -3.089
  190   2HB   LYS  22          3HB       LYS  22   6.476  -9.204  -4.084
  191   1HG   LYS  22          2HG       LYS  22   8.577 -10.302  -4.582
  192   2HG   LYS  22          3HG       LYS  22   8.032  -9.376  -5.978
  193   1HD   LYS  22          2HD       LYS  22   9.606  -7.624  -5.485
  194   2HD   LYS  22          3HD       LYS  22  10.065  -8.407  -3.975
  195   1HE   LYS  22          2HE       LYS  22  11.765  -8.819  -5.632
  196   2HE   LYS  22          3HE       LYS  22  10.930 -10.326  -5.268
  197   1HZ   LYS  22          1HZ       LYS  22   9.761  -8.913  -7.477
  198   2HZ   LYS  22          2HZ       LYS  22  10.268 -10.529  -7.367
  199   3HZ   LYS  22          3HZ       LYS  22  11.387  -9.313  -7.747
  200    H    GLY  23           HN       GLY  23   8.219  -6.193  -6.543
  201   1HA   GLY  23          1HA       GLY  23   6.018  -6.876  -8.360
  202   2HA   GLY  23          2HA       GLY  23   7.359  -5.797  -8.731
  203    H    SER  24           HN       SER  24   6.100  -8.621  -9.578
  204    HA   SER  24           HA       SER  24   8.694  -9.643 -10.480
  205   1HB   SER  24          2HB       SER  24   8.084 -11.022  -8.531
  206   2HB   SER  24          3HB       SER  24   6.501 -11.340  -9.238
  207    HG   SER  24           HG       SER  24   9.036 -12.293 -10.030
  208    HA   PRO  25           HA       PRO  25   6.683  -9.529 -14.411
  209   1HB   PRO  25          2HB       PRO  25   8.094 -12.109 -14.920
  210   2HB   PRO  25          3HB       PRO  25   8.075 -10.629 -15.885
  211   1HG   PRO  25          2HG       PRO  25  10.205 -11.252 -14.422
  212   2HG   PRO  25          3HG       PRO  25   9.644  -9.573 -14.542
  213   1HD   PRO  25          2HD       PRO  25   9.344 -11.518 -12.293
  214   2HD   PRO  25          3HD       PRO  25   9.612  -9.764 -12.244
  215    H    LYS  26           HN       LYS  26   6.883 -12.667 -12.798
  216    HA   LYS  26           HA       LYS  26   4.562 -13.744 -14.055
  217   1HB   LYS  26          2HB       LYS  26   4.794 -15.576 -12.412
  218   2HB   LYS  26          3HB       LYS  26   6.265 -15.248 -13.311
  219   1HG   LYS  26          2HG       LYS  26   7.066 -13.931 -11.329
  220   2HG   LYS  26          3HG       LYS  26   5.667 -14.552 -10.446
  221   1HD   LYS  26          2HD       LYS  26   6.407 -16.842 -10.892
  222   2HD   LYS  26          3HD       LYS  26   7.795 -16.226 -11.782
  223   1HE   LYS  26          2HE       LYS  26   8.568 -16.826  -9.623
  224   2HE   LYS  26          3HE       LYS  26   8.507 -15.066  -9.676
  225   1HZ   LYS  26          1HZ       LYS  26   6.447 -16.823  -8.455
  226   2HZ   LYS  26          2HZ       LYS  26   6.427 -15.128  -8.457
  227   3HZ   LYS  26          3HZ       LYS  26   7.629 -15.962  -7.601
  228    H    LEU  27           HN       LEU  27   5.101 -11.829 -11.187
  229    HA   LEU  27           HA       LEU  27   2.247 -11.458 -10.858
  230   1HB   LEU  27          2HB       LEU  27   3.151 -13.616  -9.594
  231   2HB   LEU  27          3HB       LEU  27   3.730 -12.408  -8.456
  232    HG   LEU  27           HG       LEU  27   0.832 -12.848  -9.228
  233   1HD1  LEU  27          1HD1      LEU  27   0.640 -13.643  -6.872
  234   2HD1  LEU  27          2HD1      LEU  27   1.585 -14.695  -7.928
  235   3HD1  LEU  27          3HD1      LEU  27   2.402 -13.630  -6.784
  236   1HD2  LEU  27          1HD2      LEU  27   1.578 -11.302  -6.822
  237   2HD2  LEU  27          2HD2      LEU  27   1.805 -10.509  -8.381
  238   3HD2  LEU  27          3HD2      LEU  27   0.211 -11.110  -7.922
  239    HA   PRO  28           HA       PRO  28   4.353  -7.650  -9.584
  240   1HB   PRO  28          2HB       PRO  28   2.118  -6.177  -9.262
  241   2HB   PRO  28          3HB       PRO  28   2.836  -6.479 -10.840
  242   1HG   PRO  28          2HG       PRO  28   0.481  -7.743  -9.519
  243   2HG   PRO  28          3HG       PRO  28   0.719  -7.310 -11.222
  244   1HD   PRO  28          2HD       PRO  28   0.973  -9.837 -10.258
  245   2HD   PRO  28          3HD       PRO  28   1.838  -9.240 -11.682
  246    H    SER  29           HN       SER  29   3.510  -9.795  -7.659
  247    HA   SER  29           HA       SER  29   3.924  -8.300  -5.297
  248   1HB   SER  29          2HB       SER  29   1.454  -7.987  -5.642
  249   2HB   SER  29          3HB       SER  29   1.287  -9.718  -5.405
  250    HG   SER  29           HG       SER  29   1.146  -8.089  -3.540
  251    H    CYS  30           HN       CYS  30   5.495 -10.163  -6.238
  252    HA   CYS  30           HA       CYS  30   4.922 -12.831  -5.872
  253   1HB   CYS  30          2HB       CYS  30   6.933 -11.993  -7.018
  254   2HB   CYS  30          3HB       CYS  30   7.610 -11.501  -5.472
  255    HG   CYS  30           HG       CYS  30   8.431 -13.860  -4.651
  256    H    GLY  31           HN       GLY  31   6.026 -10.528  -3.436
  257   1HA   GLY  31          1HA       GLY  31   6.604 -12.466  -1.441
  258   2HA   GLY  31          2HA       GLY  31   6.446 -10.740  -1.187
  259    H    PHE  32           HN       PHE  32   5.244 -10.666   0.614
  260    HA   PHE  32           HA       PHE  32   3.115 -12.495   1.103
  261   1HB   PHE  32          2HB       PHE  32   4.159 -10.146   2.621
  262   2HB   PHE  32          3HB       PHE  32   2.655 -10.926   3.095
  263    HD1  PHE  32           1HD      PHE  32   6.248 -11.607   2.454
  264    HD2  PHE  32           2HD      PHE  32   2.640 -12.797   4.375
  265    HE1  PHE  32           1HE      PHE  32   7.496 -13.332   3.703
  266    HE2  PHE  32           2HE      PHE  32   3.886 -14.514   5.645
  267    HZ   PHE  32           HZ       PHE  32   6.312 -14.784   5.305
  268    H    SER  33           HN       SER  33   3.143  -9.398  -0.382
  269    HA   SER  33           HA       SER  33   0.569  -8.616   0.442
  270   1HB   SER  33          2HB       SER  33   2.230  -7.049  -0.463
  271   2HB   SER  33          3HB       SER  33   2.053  -7.805  -2.043
  272    HG   SER  33           HG       SER  33   0.612  -6.256  -2.245
  273    H    ALA  34           HN       ALA  34   1.490 -11.088  -1.620
  274    HA   ALA  34           HA       ALA  34  -0.146 -11.104  -3.775
  275   1HB   ALA  34          1HB       ALA  34   0.039 -13.673  -2.306
  276   2HB   ALA  34          2HB       ALA  34   0.343 -13.310  -4.005
  277   3HB   ALA  34          3HB       ALA  34   1.542 -12.884  -2.783
  278    H    GLN  35           HN       GLN  35  -1.141 -12.033  -0.478
  279    HA   GLN  35           HA       GLN  35  -3.804 -12.701  -1.383
  280   1HB   GLN  35          2HB       GLN  35  -3.003 -12.238   1.510
  281   2HB   GLN  35          3HB       GLN  35  -4.388 -13.128   0.902
  282   1HG   GLN  35          2HG       GLN  35  -2.917 -14.778   1.598
  283   2HG   GLN  35          3HG       GLN  35  -2.693 -14.722  -0.150
  284   1HE2  GLN  35          1HE2      GLN  35  -1.410 -12.060   1.474
  285   2HE2  GLN  35          2HE2      GLN  35   0.253 -12.523   1.463
  286    H    ALA  36           HN       ALA  36  -2.184 -10.005   0.139
  287    HA   ALA  36           HA       ALA  36  -4.403  -8.493   0.906
  288   1HB   ALA  36          1HB       ALA  36  -2.903  -6.780   1.358
  289   2HB   ALA  36          2HB       ALA  36  -1.934  -8.244   1.537
  290   3HB   ALA  36          3HB       ALA  36  -1.803  -7.273   0.069
  291    H    VAL  37           HN       VAL  37  -2.452  -8.414  -2.034
  292    HA   VAL  37           HA       VAL  37  -3.638  -6.220  -3.266
  293    HB   VAL  37           HB       VAL  37  -1.596  -7.273  -4.109
  294   1HG1  VAL  37          1HG1      VAL  37  -2.375  -9.622  -3.735
  295   2HG1  VAL  37          2HG1      VAL  37  -3.286  -9.477  -5.238
  296   3HG1  VAL  37          3HG1      VAL  37  -1.526  -9.334  -5.255
  297   1HG2  VAL  37          1HG2      VAL  37  -3.525  -7.545  -6.376
  298   2HG2  VAL  37          2HG2      VAL  37  -3.329  -5.976  -5.588
  299   3HG2  VAL  37          3HG2      VAL  37  -1.940  -6.767  -6.336
  300    H    GLN  38           HN       GLN  38  -4.629  -9.565  -3.074
  301    HA   GLN  38           HA       GLN  38  -6.735  -9.382  -4.949
  302   1HB   GLN  38          2HB       GLN  38  -6.578 -11.324  -2.643
  303   2HB   GLN  38          3HB       GLN  38  -7.448 -11.529  -4.157
  304   1HG   GLN  38          2HG       GLN  38  -4.458 -11.493  -3.771
  305   2HG   GLN  38          3HG       GLN  38  -5.463 -12.882  -4.165
  306   1HE2  GLN  38          1HE2      GLN  38  -6.882 -10.641  -5.964
  307   2HE2  GLN  38          2HE2      GLN  38  -5.927 -10.705  -7.398
  308    H    ALA  39           HN       ALA  39  -6.590  -8.975  -1.420
  309    HA   ALA  39           HA       ALA  39  -9.338  -8.706  -0.919
  310   1HB   ALA  39          1HB       ALA  39  -7.947  -8.925   0.962
  311   2HB   ALA  39          2HB       ALA  39  -6.931  -7.565   0.476
  312   3HB   ALA  39          3HB       ALA  39  -8.578  -7.279   1.045
  313    H    LEU  40           HN       LEU  40  -6.932  -6.209  -1.718
  314    HA   LEU  40           HA       LEU  40  -8.640  -3.977  -1.727
  315   1HB   LEU  40          2HB       LEU  40  -6.065  -4.712  -2.969
  316   2HB   LEU  40          3HB       LEU  40  -6.935  -3.387  -3.702
  317    HG   LEU  40           HG       LEU  40  -6.034  -3.508  -0.813
  318   1HD1  LEU  40          1HD1      LEU  40  -5.038  -1.636  -2.956
  319   2HD1  LEU  40          2HD1      LEU  40  -4.342  -1.970  -1.369
  320   3HD1  LEU  40          3HD1      LEU  40  -4.262  -3.192  -2.639
  321   1HD2  LEU  40          1HD2      LEU  40  -7.634  -1.988  -0.514
  322   2HD2  LEU  40          2HD2      LEU  40  -6.646  -0.909  -1.505
  323   3HD2  LEU  40          3HD2      LEU  40  -7.928  -1.865  -2.256
  324    H    ALA  41           HN       ALA  41  -7.405  -5.723  -4.518
  325    HA   ALA  41           HA       ALA  41  -8.940  -4.486  -6.443
  326   1HB   ALA  41          1HB       ALA  41  -7.405  -5.676  -7.561
  327   2HB   ALA  41          2HB       ALA  41  -7.298  -6.904  -6.299
  328   3HB   ALA  41          3HB       ALA  41  -8.581  -6.989  -7.508
  329    H    ALA  42           HN       ALA  42  -9.697  -7.026  -4.251
  330    HA   ALA  42           HA       ALA  42 -12.107  -7.950  -5.549
  331   1HB   ALA  42          1HB       ALA  42 -12.290  -9.462  -3.860
  332   2HB   ALA  42          2HB       ALA  42 -10.591  -9.049  -3.625
  333   3HB   ALA  42          3HB       ALA  42 -11.831  -8.290  -2.613
  334    H    CYS  43           HN       CYS  43 -11.466  -6.123  -2.607
  335    HA   CYS  43           HA       CYS  43 -14.152  -5.763  -2.028
  336   1HB   CYS  43          2HB       CYS  43 -12.508  -5.788  -0.323
  337   2HB   CYS  43          3HB       CYS  43 -11.731  -4.351  -0.992
  338    HG   CYS  43           HG       CYS  43 -12.971  -3.406   1.162
  339    H    GLY  44           HN       GLY  44 -11.781  -3.253  -2.923
  340   1HA   GLY  44          1HA       GLY  44 -14.014  -1.434  -3.567
  341   2HA   GLY  44          2HA       GLY  44 -12.358  -0.976  -3.210
  342    H    GLU  45           HN       GLU  45 -11.485  -0.074  -4.816
  343    HA   GLU  45           HA       GLU  45 -11.644  -1.282  -7.448
  344   1HB   GLU  45          2HB       GLU  45 -12.558   1.520  -6.857
  345   2HB   GLU  45          3HB       GLU  45 -12.026   1.029  -8.463
  346   1HG   GLU  45          2HG       GLU  45 -13.721  -0.791  -8.395
  347   2HG   GLU  45          3HG       GLU  45 -14.312  -0.121  -6.879
  348    H    ARG  46           HN       ARG  46 -10.508   1.247  -8.532
  349    HA   ARG  46           HA       ARG  46  -8.017   0.177  -8.759
  350   1HB   ARG  46          2HB       ARG  46  -8.733   3.054  -9.319
  351   2HB   ARG  46          3HB       ARG  46  -7.378   2.163  -9.999
  352   1HG   ARG  46          2HG       ARG  46 -10.302   1.676 -10.490
  353   2HG   ARG  46          3HG       ARG  46  -9.107   2.299 -11.618
  354   1HD   ARG  46          2HD       ARG  46  -7.914   0.172 -11.556
  355   2HD   ARG  46          3HD       ARG  46  -9.097  -0.455 -10.408
  356    HE   ARG  46           HE       ARG  46 -10.420   0.475 -12.724
  357   1HH1  ARG  46          2HH1      ARG  46  -8.411  -2.175 -11.613
  358   2HH1  ARG  46          1HH1      ARG  46  -9.007  -3.297 -12.796
  359   1HH2  ARG  46          2HH2      ARG  46 -11.179  -0.984 -14.304
  360   2HH2  ARG  46          1HH2      ARG  46 -10.551  -2.609 -14.350
  361    H    PHE  47           HN       PHE  47  -6.062   0.598  -8.098
  362    HA   PHE  47           HA       PHE  47  -5.566   2.519  -5.989
  363   1HB   PHE  47          2HB       PHE  47  -4.992   0.875  -4.338
  364   2HB   PHE  47          3HB       PHE  47  -6.602   0.501  -4.918
  365    HD1  PHE  47           1HD      PHE  47  -3.016  -0.467  -5.315
  366    HD2  PHE  47           2HD      PHE  47  -7.124  -1.620  -5.732
  367    HE1  PHE  47           1HE      PHE  47  -2.329  -2.796  -5.723
  368    HE2  PHE  47           2HE      PHE  47  -6.423  -3.935  -6.130
  369    HZ   PHE  47           HZ       PHE  47  -4.032  -4.531  -6.142
  370    H    ALA  48           HN       ALA  48  -3.330   2.735  -5.540
  371    HA   ALA  48           HA       ALA  48  -1.699   1.793  -7.772
  372   1HB   ALA  48          1HB       ALA  48  -1.940   4.311  -7.016
  373   2HB   ALA  48          2HB       ALA  48  -0.661   3.841  -5.896
  374   3HB   ALA  48          3HB       ALA  48  -0.417   3.670  -7.633
  375    H    TYR  49           HN       TYR  49   0.342   0.907  -7.449
  376    HA   TYR  49           HA       TYR  49   0.838  -0.038  -4.705
  377   1HB   TYR  49          2HB       TYR  49   0.960  -2.261  -5.331
  378   2HB   TYR  49          3HB       TYR  49  -0.301  -1.715  -6.429
  379    HD1  TYR  49           1HD      TYR  49   0.027  -1.836  -8.795
  380    HD2  TYR  49           2HD      TYR  49   3.269  -2.533  -6.137
  381    HE1  TYR  49           1HE      TYR  49   1.366  -2.728 -10.660
  382    HE2  TYR  49           2HE      TYR  49   4.628  -3.399  -7.984
  383    HH   TYR  49           HH       TYR  49   4.698  -3.188 -10.485
  384    H    VAL  50           HN       VAL  50   3.089  -0.463  -4.318
  385    HA   VAL  50           HA       VAL  50   4.907   0.461  -6.436
  386    HB   VAL  50           HB       VAL  50   5.219   1.054  -3.476
  387   1HG1  VAL  50          1HG1      VAL  50   7.373   0.820  -4.406
  388   2HG1  VAL  50          2HG1      VAL  50   6.925   1.701  -5.868
  389   3HG1  VAL  50          3HG1      VAL  50   7.066   2.555  -4.332
  390   1HG2  VAL  50          1HG2      VAL  50   4.375   2.811  -5.773
  391   2HG2  VAL  50          2HG2      VAL  50   3.502   2.472  -4.276
  392   3HG2  VAL  50          3HG2      VAL  50   4.971   3.449  -4.239
  393    H    ASP  51           HN       ASP  51   6.452  -0.891  -6.883
  394    HA   ASP  51           HA       ASP  51   6.776  -3.291  -5.334
  395   1HB   ASP  51          2HB       ASP  51   8.517  -3.864  -7.026
  396   2HB   ASP  51          3HB       ASP  51   6.936  -3.536  -7.716
  397    H    ILE  52           HN       ILE  52   8.212  -3.684  -3.848
  398    HA   ILE  52           HA       ILE  52  10.464  -1.889  -3.446
  399    HB   ILE  52           HB       ILE  52   9.704  -2.007  -0.895
  400   1HG1  ILE  52          2HG1      ILE  52   7.265  -1.324  -0.876
  401   2HG1  ILE  52          3HG1      ILE  52   7.179  -1.968  -2.513
  402   1HG2  ILE  52          1HG2      ILE  52   9.861   0.166  -1.109
  403   2HG2  ILE  52          2HG2      ILE  52   9.972  -0.076  -2.856
  404   3HG2  ILE  52          3HG2      ILE  52   8.406   0.242  -2.106
  405   1HD1  ILE  52          1HD1      ILE  52   7.005  -4.042  -1.781
  406   2HD1  ILE  52          2HD1      ILE  52   8.345  -3.845  -0.650
  407   3HD1  ILE  52          3HD1      ILE  52   6.720  -3.338  -0.187
  408    H    LEU  53           HN       LEU  53   8.866  -4.915  -2.629
  409    HA   LEU  53           HA       LEU  53  11.151  -6.005  -1.272
  410   1HB   LEU  53          2HB       LEU  53   8.985  -7.459  -2.808
  411   2HB   LEU  53          3HB       LEU  53  10.253  -8.242  -1.893
  412    HG   LEU  53           HG       LEU  53   8.581  -8.406  -0.392
  413   1HD1  LEU  53          1HD1      LEU  53  10.410  -6.955   0.524
  414   2HD1  LEU  53          2HD1      LEU  53   9.314  -5.593   0.303
  415   3HD1  LEU  53          3HD1      LEU  53   8.868  -6.916   1.382
  416   1HD2  LEU  53          1HD2      LEU  53   6.780  -6.700  -0.070
  417   2HD2  LEU  53          2HD2      LEU  53   7.420  -5.856  -1.479
  418   3HD2  LEU  53          3HD2      LEU  53   6.786  -7.499  -1.647
  419    H    GLN  54           HN       GLN  54  10.476  -4.997  -4.401
  420    HA   GLN  54           HA       GLN  54  12.400  -6.772  -5.666
  421   1HB   GLN  54          2HB       GLN  54  10.256  -6.450  -6.815
  422   2HB   GLN  54          3HB       GLN  54  10.514  -4.707  -6.833
  423   1HG   GLN  54          2HG       GLN  54  12.491  -6.498  -8.166
  424   2HG   GLN  54          3HG       GLN  54  10.960  -6.138  -8.957
  425   1HE2  GLN  54          1HE2      GLN  54  11.210  -3.438  -7.424
  426   2HE2  GLN  54          2HE2      GLN  54  12.214  -2.502  -8.462
  427    H    ASN  55           HN       ASN  55  11.953  -3.275  -5.016
  428    HA   ASN  55           HA       ASN  55  14.598  -2.642  -6.056
  429   1HB   ASN  55          2HB       ASN  55  12.710  -0.933  -4.417
  430   2HB   ASN  55          3HB       ASN  55  14.210  -0.382  -5.154
  431   1HD2  ASN  55          1HD2      ASN  55  11.025  -0.255  -5.464
  432   2HD2  ASN  55          2HD2      ASN  55  10.864  -0.131  -7.178
  433    HA   PRO  56           HA       PRO  56  16.493  -3.991  -2.265
  434   1HB   PRO  56          2HB       PRO  56  18.987  -2.992  -2.805
  435   2HB   PRO  56          3HB       PRO  56  18.375  -4.528  -3.425
  436   1HG   PRO  56          2HG       PRO  56  18.535  -1.866  -4.772
  437   2HG   PRO  56          3HG       PRO  56  18.859  -3.479  -5.432
  438   1HD   PRO  56          2HD       PRO  56  16.557  -2.153  -5.915
  439   2HD   PRO  56          3HD       PRO  56  16.624  -3.923  -5.781
  440    H    ASP  57           HN       ASP  57  17.190  -0.721  -3.486
  441    HA   ASP  57           HA       ASP  57  17.971   0.204  -0.910
  442   1HB   ASP  57          2HB       ASP  57  18.125   2.444  -1.981
  443   2HB   ASP  57          3HB       ASP  57  19.028   1.185  -2.809
  444    H    ILE  58           HN       ILE  58  15.043   0.829  -2.849
  445    HA   ILE  58           HA       ILE  58  13.834   2.577  -0.996
  446    HB   ILE  58           HB       ILE  58  12.398   0.744  -2.932
  447   1HG1  ILE  58          2HG1      ILE  58  13.453   3.556  -3.336
  448   2HG1  ILE  58          3HG1      ILE  58  14.101   2.102  -4.085
  449   1HG2  ILE  58          1HG2      ILE  58  11.282   2.208  -0.984
  450   2HG2  ILE  58          2HG2      ILE  58  11.390   3.436  -2.243
  451   3HG2  ILE  58          3HG2      ILE  58  10.511   1.938  -2.545
  452   1HD1  ILE  58          1HD1      ILE  58  12.739   3.304  -5.661
  453   2HD1  ILE  58          2HD1      ILE  58  11.950   1.782  -5.245
  454   3HD1  ILE  58          3HD1      ILE  58  11.376   3.295  -4.544
  455    H    ARG  59           HN       ARG  59  13.791  -0.905  -1.341
  456    HA   ARG  59           HA       ARG  59  11.756  -1.681   0.321
  457   1HB   ARG  59          2HB       ARG  59  13.141  -3.162  -1.091
  458   2HB   ARG  59          3HB       ARG  59  14.468  -2.981   0.043
  459   1HG   ARG  59          2HG       ARG  59  13.238  -4.150   1.747
  460   2HG   ARG  59          3HG       ARG  59  11.800  -4.206   0.719
  461   1HD   ARG  59          2HD       ARG  59  13.077  -5.512  -0.939
  462   2HD   ARG  59          3HD       ARG  59  14.458  -5.511   0.153
  463    HE   ARG  59           HE       ARG  59  12.334  -6.571   1.579
  464   1HH1  ARG  59          2HH1      ARG  59  14.133  -7.353  -1.309
  465   2HH1  ARG  59          1HH1      ARG  59  13.894  -9.066  -1.163
  466   1HH2  ARG  59          2HH2      ARG  59  12.011  -8.835   1.795
  467   2HH2  ARG  59          1HH2      ARG  59  12.684  -9.905   0.599
  468    H    ALA  60           HN       ALA  60  14.979  -0.632   1.226
  469    HA   ALA  60           HA       ALA  60  14.697  -1.510   3.928
  470   1HB   ALA  60          1HB       ALA  60  16.853  -1.677   3.058
  471   2HB   ALA  60          2HB       ALA  60  16.828  -0.026   2.440
  472   3HB   ALA  60          3HB       ALA  60  16.932  -0.315   4.176
  473    H    GLU  61           HN       GLU  61  14.702   1.676   2.377
  474    HA   GLU  61           HA       GLU  61  15.135   3.001   4.787
  475   1HB   GLU  61          2HB       GLU  61  14.177   4.176   2.184
  476   2HB   GLU  61          3HB       GLU  61  14.924   5.060   3.509
  477   1HG   GLU  61          2HG       GLU  61  16.225   2.894   1.875
  478   2HG   GLU  61          3HG       GLU  61  16.519   4.624   1.729
  479    H    LEU  62           HN       LEU  62  12.139   3.310   2.798
  480    HA   LEU  62           HA       LEU  62  10.961   4.922   4.780
  481   1HB   LEU  62          2HB       LEU  62   8.917   4.920   3.563
  482   2HB   LEU  62          3HB       LEU  62  10.258   5.082   2.447
  483    HG   LEU  62           HG       LEU  62   9.001   2.399   2.922
  484   1HD1  LEU  62          1HD1      LEU  62   7.316   4.249   2.287
  485   2HD1  LEU  62          2HD1      LEU  62   8.134   4.242   0.726
  486   3HD1  LEU  62          3HD1      LEU  62   7.355   2.775   1.319
  487   1HD2  LEU  62          1HD2      LEU  62  11.005   3.575   1.215
  488   2HD2  LEU  62          2HD2      LEU  62  10.625   1.877   1.504
  489   3HD2  LEU  62          3HD2      LEU  62   9.736   2.783   0.278
  490    HA   PRO  63           HA       PRO  63   8.321   0.875   5.786
  491   1HB   PRO  63          2HB       PRO  63  10.154  -1.072   6.559
  492   2HB   PRO  63          3HB       PRO  63   9.218  -1.082   5.063
  493   1HG   PRO  63          2HG       PRO  63  12.016  -0.145   5.537
  494   2HG   PRO  63          3HG       PRO  63  11.363  -1.090   4.184
  495   1HD   PRO  63          2HD       PRO  63  11.826   1.488   3.872
  496   2HD   PRO  63          3HD       PRO  63  10.323   0.781   3.231
  497    H    LYS  64           HN       LYS  64  11.564   1.436   7.008
  498    HA   LYS  64           HA       LYS  64  11.191   1.027   9.729
  499   1HB   LYS  64          2HB       LYS  64  12.962   3.014   8.322
  500   2HB   LYS  64          3HB       LYS  64  13.124   2.519  10.001
  501   1HG   LYS  64          2HG       LYS  64  13.644   0.277   9.354
  502   2HG   LYS  64          3HG       LYS  64  13.326   0.636   7.654
  503   1HD   LYS  64          2HD       LYS  64  15.482   1.854   9.385
  504   2HD   LYS  64          3HD       LYS  64  15.726   0.654   8.114
  505   1HE   LYS  64          2HE       LYS  64  14.906   2.232   6.448
  506   2HE   LYS  64          3HE       LYS  64  14.594   3.423   7.705
  507   1HZ   LYS  64          1HZ       LYS  64  16.868   3.204   6.232
  508   2HZ   LYS  64          2HZ       LYS  64  17.304   2.495   7.716
  509   3HZ   LYS  64          3HZ       LYS  64  16.695   4.074   7.675
  510    H    TYR  65           HN       TYR  65  10.571   3.845   7.707
  511    HA   TYR  65           HA       TYR  65   9.958   5.559   9.876
  512   1HB   TYR  65          2HB       TYR  65   9.877   7.194   8.344
  513   2HB   TYR  65          3HB       TYR  65  10.513   5.993   7.245
  514    HD1  TYR  65           1HD      TYR  65   9.587   6.154   5.113
  515    HD2  TYR  65           2HD      TYR  65   7.095   6.936   8.487
  516    HE1  TYR  65           1HE      TYR  65   7.704   6.692   3.608
  517    HE2  TYR  65           2HE      TYR  65   5.222   7.432   6.991
  518    HH   TYR  65           HH       TYR  65   4.561   7.715   4.911
  519    H    ALA  66           HN       ALA  66   7.945   3.481   7.753
  520    HA   ALA  66           HA       ALA  66   5.519   4.525   8.892
  521   1HB   ALA  66          1HB       ALA  66   6.295   2.649   6.833
  522   2HB   ALA  66          2HB       ALA  66   4.889   2.100   7.746
  523   3HB   ALA  66          3HB       ALA  66   4.867   3.677   6.954
  524    H    ASN  67           HN       ASN  67   7.019   1.265   9.113
  525    HA   ASN  67           HA       ASN  67   6.937   1.131  11.870
  526   1HB   ASN  67          2HB       ASN  67   4.483   0.976  11.680
  527   2HB   ASN  67          3HB       ASN  67   4.653  -0.435  10.640
  528   1HD2  ASN  67          1HD2      ASN  67   4.344  -2.291  11.639
  529   2HD2  ASN  67          2HD2      ASN  67   4.672  -2.621  13.302
  530    H    TRP  68           HN       TRP  68   6.261  -0.929   9.128
  531    HA   TRP  68           HA       TRP  68   7.468  -3.278   9.924
  532   1HB   TRP  68          2HB       TRP  68   6.797  -2.092   7.252
  533   2HB   TRP  68          3HB       TRP  68   7.663  -3.624   7.343
  534    HD1  TRP  68           1HD      TRP  68   6.126  -5.552   6.987
  535    HE1  TRP  68           1HE      TRP  68   3.680  -6.139   7.514
  536    HE3  TRP  68           3HE      TRP  68   4.732  -1.243   9.372
  537    HZ2  TRP  68           2HZ      TRP  68   1.470  -4.959   8.776
  538    HZ3  TRP  68           3HZ      TRP  68   2.428  -1.059  10.206
  539    HH2  TRP  68           2HH      TRP  68   0.830  -2.878   9.913
  540    HA   PRO  69           HA       PRO  69  11.879  -2.712   9.182
  541   1HB   PRO  69          2HB       PRO  69  12.536  -5.250   8.489
  542   2HB   PRO  69          3HB       PRO  69  12.240  -4.772  10.164
  543   1HG   PRO  69          2HG       PRO  69  10.442  -6.192   8.248
  544   2HG   PRO  69          3HG       PRO  69  10.679  -6.469   9.982
  545   1HD   PRO  69          2HD       PRO  69   8.553  -5.100   8.945
  546   2HD   PRO  69          3HD       PRO  69   9.204  -4.818  10.573
  547    H    THR  70           HN       THR  70   9.764  -4.385   7.005
  548    HA   THR  70           HA       THR  70  10.847  -3.002   4.687
  549    HB   THR  70           HB       THR  70  10.760  -5.079   3.309
  550    HG1  THR  70           1HG      THR  70  11.039  -6.767   5.483
  551   1HG2  THR  70          1HG2      THR  70  12.708  -4.728   5.541
  552   2HG2  THR  70          2HG2      THR  70  12.941  -4.539   3.801
  553   3HG2  THR  70          3HG2      THR  70  12.837  -6.153   4.505
  554    H    PHE  71           HN       PHE  71   8.896  -5.402   3.525
  555    HA   PHE  71           HA       PHE  71   6.377  -4.083   4.237
  556   1HB   PHE  71          2HB       PHE  71   7.313  -4.472   1.375
  557   2HB   PHE  71          3HB       PHE  71   5.742  -3.845   1.853
  558    HD1  PHE  71           1HD      PHE  71   5.454  -1.547   2.332
  559    HD2  PHE  71           2HD      PHE  71   9.367  -3.158   1.910
  560    HE1  PHE  71           1HE      PHE  71   6.393   0.731   2.338
  561    HE2  PHE  71           2HE      PHE  71  10.306  -0.898   1.915
  562    HZ   PHE  71           HZ       PHE  71   8.816   1.049   2.111
  563    HA   PRO  72           HA       PRO  72   4.724  -4.783   1.497
  564   1HB   PRO  72          2HB       PRO  72   2.217  -5.770   1.666
  565   2HB   PRO  72          3HB       PRO  72   3.428  -6.414   0.554
  566   1HG   PRO  72          2HG       PRO  72   2.574  -7.438   3.234
  567   2HG   PRO  72          3HG       PRO  72   2.879  -8.339   1.737
  568   1HD   PRO  72          2HD       PRO  72   4.683  -8.206   3.740
  569   2HD   PRO  72          3HD       PRO  72   5.164  -8.313   2.035
  570    H    GLN  73           HN       GLN  73   3.340  -3.058   1.853
  571    HA   GLN  73           HA       GLN  73   1.898  -2.877   4.377
  572   1HB   GLN  73          2HB       GLN  73   3.779  -0.667   3.532
  573   2HB   GLN  73          3HB       GLN  73   2.763  -0.702   4.956
  574   1HG   GLN  73          2HG       GLN  73   4.088  -2.575   5.836
  575   2HG   GLN  73          3HG       GLN  73   5.151  -2.444   4.431
  576   1HE2  GLN  73          1HE2      GLN  73   6.946  -1.358   4.828
  577   2HE2  GLN  73          2HE2      GLN  73   7.119  -0.061   5.957
  578    H    LEU  74           HN       LEU  74   0.024  -1.869   4.086
  579    HA   LEU  74           HA       LEU  74  -0.577  -0.731   1.466
  580   1HB   LEU  74          2HB       LEU  74  -1.964  -2.554   2.376
  581   2HB   LEU  74          3HB       LEU  74  -2.374  -1.559   3.750
  582    HG   LEU  74           HG       LEU  74  -4.182  -1.790   2.051
  583   1HD1  LEU  74          1HD1      LEU  74  -5.013   0.168   2.678
  584   2HD1  LEU  74          2HD1      LEU  74  -3.464   0.458   3.470
  585   3HD1  LEU  74          3HD1      LEU  74  -3.747   1.067   1.840
  586   1HD2  LEU  74          1HD2      LEU  74  -2.528   0.012   0.318
  587   2HD2  LEU  74          2HD2      LEU  74  -2.579  -1.740   0.108
  588   3HD2  LEU  74          3HD2      LEU  74  -4.053  -0.787  -0.069
  589    H    TRP  75           HN       TRP  75  -1.162   1.370   1.172
  590    HA   TRP  75           HA       TRP  75  -1.269   3.094   3.558
  591   1HB   TRP  75          2HB       TRP  75  -0.054   3.712   0.866
  592   2HB   TRP  75          3HB       TRP  75  -0.271   4.881   2.156
  593    HD1  TRP  75           1HD      TRP  75   1.704   1.596   1.500
  594    HE1  TRP  75           1HE      TRP  75   3.822   1.678   2.971
  595    HE3  TRP  75           3HE      TRP  75   0.747   5.903   4.028
  596    HZ2  TRP  75           2HZ      TRP  75   4.913   3.349   4.969
  597    HZ3  TRP  75           3HZ      TRP  75   2.370   6.686   5.705
  598    HH2  TRP  75           2HH      TRP  75   4.413   5.430   6.161
  599    H    VAL  76           HN       VAL  76  -3.040   4.241   3.758
  600    HA   VAL  76           HA       VAL  76  -4.848   4.568   1.435
  601    HB   VAL  76           HB       VAL  76  -5.473   4.899   4.388
  602   1HG1  VAL  76          1HG1      VAL  76  -7.858   4.536   3.339
  603   2HG1  VAL  76          2HG1      VAL  76  -7.099   6.132   3.397
  604   3HG1  VAL  76          3HG1      VAL  76  -7.063   5.193   1.904
  605   1HG2  VAL  76          1HG2      VAL  76  -6.528   2.777   4.381
  606   2HG2  VAL  76          2HG2      VAL  76  -6.302   2.601   2.641
  607   3HG2  VAL  76          3HG2      VAL  76  -4.908   2.553   3.719
  608    H    ASP  77           HN       ASP  77  -4.602   6.570   0.532
  609    HA   ASP  77           HA       ASP  77  -4.215   8.813   0.298
  610   1HB   ASP  77          2HB       ASP  77  -6.285   8.899   1.578
  611   2HB   ASP  77          3HB       ASP  77  -5.352   8.773   3.065
  612    H    GLY  78           HN       GLY  78  -2.203   7.140   1.260
  613   1HA   GLY  78          1HA       GLY  78   0.047   7.363   1.728
  614   2HA   GLY  78          2HA       GLY  78  -0.231   9.068   2.022
  615    H    GLU  79           HN       GLU  79  -2.037   6.607   3.694
  616    HA   GLU  79           HA       GLU  79  -0.452   7.078   6.106
  617   1HB   GLU  79          2HB       GLU  79  -3.431   6.896   5.888
  618   2HB   GLU  79          3HB       GLU  79  -2.540   6.893   7.410
  619   1HG   GLU  79          2HG       GLU  79  -2.436   9.075   5.347
  620   2HG   GLU  79          3HG       GLU  79  -3.395   9.094   6.808
  621    H    LEU  80           HN       LEU  80   0.263   5.293   7.104
  622    HA   LEU  80           HA       LEU  80  -0.008   2.815   5.806
  623   1HB   LEU  80          2HB       LEU  80   2.032   3.389   6.934
  624   2HB   LEU  80          3HB       LEU  80   1.198   3.535   8.476
  625    HG   LEU  80           HG       LEU  80   0.643   1.090   8.296
  626   1HD1  LEU  80          1HD1      LEU  80   0.869   0.321   6.194
  627   2HD1  LEU  80          2HD1      LEU  80   2.174   1.441   5.804
  628   3HD1  LEU  80          3HD1      LEU  80   2.512  -0.013   6.744
  629   1HD2  LEU  80          1HD2      LEU  80   3.181   2.349   8.896
  630   2HD2  LEU  80          2HD2      LEU  80   2.304   1.090   9.771
  631   3HD2  LEU  80          3HD2      LEU  80   3.371   0.656   8.434
  632    H    VAL  81           HN       VAL  81  -1.114   1.047   6.185
  633    HA   VAL  81           HA       VAL  81  -2.837   0.927   8.570
  634    HB   VAL  81           HB       VAL  81  -3.451  -0.163   5.809
  635   1HG1  VAL  81          1HG1      VAL  81  -5.738  -0.562   6.971
  636   2HG1  VAL  81          2HG1      VAL  81  -4.431  -1.723   7.212
  637   3HG1  VAL  81          3HG1      VAL  81  -4.789  -0.526   8.458
  638   1HG2  VAL  81          1HG2      VAL  81  -4.677   2.088   7.393
  639   2HG2  VAL  81          2HG2      VAL  81  -3.829   2.200   5.850
  640   3HG2  VAL  81          3HG2      VAL  81  -5.397   1.394   5.938
  641    H    GLY  82           HN       GLY  82  -1.307  -1.064   6.036
  642   1HA   GLY  82          1HA       GLY  82   0.450  -2.614   7.255
  643   2HA   GLY  82          2HA       GLY  82  -1.032  -3.321   7.888
  644    H    GLY  83           HN       GLY  83   1.166  -4.196   5.831
  645   1HA   GLY  83          1HA       GLY  83  -0.282  -4.166   3.374
  646   2HA   GLY  83          2HA       GLY  83   1.286  -4.892   3.637
  647    H    CYS  84           HN       CYS  84   1.084  -7.111   4.967
  648    HA   CYS  84           HA       CYS  84  -0.550  -8.691   3.228
  649   1HB   CYS  84          2HB       CYS  84   0.408 -10.607   4.686
  650   2HB   CYS  84          3HB       CYS  84   1.497  -9.699   3.650
  651    HG   CYS  84           HG       CYS  84   1.951 -10.352   6.716
  652    H    ASP  85           HN       ASP  85  -0.335  -8.933   6.745
  653    HA   ASP  85           HA       ASP  85  -2.748 -10.378   6.993
  654   1HB   ASP  85          2HB       ASP  85  -0.967 -10.533   8.646
  655   2HB   ASP  85          3HB       ASP  85  -1.155  -8.823   9.034
  656    H    ILE  86           HN       ILE  86  -1.941  -7.048   7.733
  657    HA   ILE  86           HA       ILE  86  -4.328  -6.346   8.888
  658    HB   ILE  86           HB       ILE  86  -2.469  -4.545   7.344
  659   1HG1  ILE  86          2HG1      ILE  86  -1.324  -5.803   9.116
  660   2HG1  ILE  86          3HG1      ILE  86  -1.441  -4.094   9.524
  661   1HG2  ILE  86          1HG2      ILE  86  -4.159  -3.669   9.641
  662   2HG2  ILE  86          2HG2      ILE  86  -3.517  -2.728   8.297
  663   3HG2  ILE  86          3HG2      ILE  86  -4.888  -3.808   8.041
  664   1HD1  ILE  86          1HD1      ILE  86  -3.712  -5.388  10.599
  665   2HD1  ILE  86          2HD1      ILE  86  -2.291  -6.344  11.022
  666   3HD1  ILE  86          3HD1      ILE  86  -2.366  -4.635  11.451
  667    H    VAL  87           HN       VAL  87  -3.411  -5.973   5.434
  668    HA   VAL  87           HA       VAL  87  -5.781  -4.722   4.615
  669    HB   VAL  87           HB       VAL  87  -3.991  -6.571   3.029
  670   1HG1  VAL  87          1HG1      VAL  87  -6.532  -5.263   2.352
  671   2HG1  VAL  87          2HG1      VAL  87  -5.226  -4.965   1.204
  672   3HG1  VAL  87          3HG1      VAL  87  -5.714  -6.619   1.576
  673   1HG2  VAL  87          1HG2      VAL  87  -2.647  -4.776   3.326
  674   2HG2  VAL  87          2HG2      VAL  87  -3.613  -4.133   1.994
  675   3HG2  VAL  87          3HG2      VAL  87  -3.997  -3.686   3.658
  676    H    ILE  88           HN       ILE  88  -4.952  -8.191   4.627
  677    HA   ILE  88           HA       ILE  88  -7.374  -9.135   3.641
  678    HB   ILE  88           HB       ILE  88  -5.477 -10.443   5.590
  679   1HG1  ILE  88          2HG1      ILE  88  -4.512  -9.953   3.397
  680   2HG1  ILE  88          3HG1      ILE  88  -4.743 -11.690   3.592
  681   1HG2  ILE  88          1HG2      ILE  88  -6.573 -12.546   5.105
  682   2HG2  ILE  88          2HG2      ILE  88  -7.746 -11.402   5.761
  683   3HG2  ILE  88          3HG2      ILE  88  -7.712 -11.735   4.029
  684   1HD1  ILE  88          1HD1      ILE  88  -5.392 -11.081   1.383
  685   2HD1  ILE  88          2HD1      ILE  88  -6.856 -11.482   2.292
  686   3HD1  ILE  88          3HD1      ILE  88  -6.439  -9.791   1.994
  687    H    GLU  89           HN       GLU  89  -6.405  -8.685   7.067
  688    HA   GLU  89           HA       GLU  89  -8.907  -9.492   8.082
  689   1HB   GLU  89          2HB       GLU  89  -6.930  -9.375   9.505
  690   2HB   GLU  89          3HB       GLU  89  -6.886  -7.625   9.328
  691   1HG   GLU  89          2HG       GLU  89  -8.995  -7.416  10.489
  692   2HG   GLU  89          3HG       GLU  89  -9.144  -9.169  10.578
  693    H    MET  90           HN       MET  90  -7.655  -6.216   7.426
  694    HA   MET  90           HA       MET  90  -9.941  -4.827   8.253
  695   1HB   MET  90          2HB       MET  90  -7.824  -4.080   6.241
  696   2HB   MET  90          3HB       MET  90  -9.056  -2.967   6.821
  697   1HG   MET  90          2HG       MET  90  -7.027  -4.362   8.550
  698   2HG   MET  90          3HG       MET  90  -6.900  -2.705   7.964
  699   1HE   MET  90          1HE       MET  90  -8.436  -0.796   8.603
  700   2HE   MET  90          2HE       MET  90  -9.965  -1.624   8.302
  701   3HE   MET  90          3HE       MET  90  -9.678  -0.834   9.854
  702    H    TYR  91           HN       TYR  91  -9.146  -6.238   5.138
  703    HA   TYR  91           HA       TYR  91 -11.341  -5.294   3.634
  704   1HB   TYR  91          2HB       TYR  91  -9.733  -6.231   2.297
  705   2HB   TYR  91          3HB       TYR  91  -9.333  -7.477   3.469
  706    HD1  TYR  91           1HD      TYR  91 -11.880  -6.579   0.812
  707    HD2  TYR  91           2HD      TYR  91 -10.038  -9.603   3.191
  708    HE1  TYR  91           1HE      TYR  91 -12.947  -8.309  -0.544
  709    HE2  TYR  91           2HE      TYR  91 -11.086 -11.328   1.834
  710    HH   TYR  91           HH       TYR  91 -13.480 -10.545  -0.631
  711    H    GLN  92           HN       GLN  92 -10.864  -8.184   5.587
  712    HA   GLN  92           HA       GLN  92 -13.461  -9.261   5.228
  713   1HB   GLN  92          2HB       GLN  92 -11.512  -9.646   7.510
  714   2HB   GLN  92          3HB       GLN  92 -12.915 -10.656   7.184
  715   1HG   GLN  92          2HG       GLN  92 -11.964 -11.337   5.059
  716   2HG   GLN  92          3HG       GLN  92 -10.582 -10.264   5.325
  717   1HE2  GLN  92          1HE2      GLN  92 -11.575 -13.375   5.470
  718   2HE2  GLN  92          2HE2      GLN  92 -10.450 -13.983   6.639
  719    H    ARG  93           HN       ARG  93 -12.049  -7.067   7.592
  720    HA   ARG  93           HA       ARG  93 -14.182  -6.806   9.398
  721   1HB   ARG  93          2HB       ARG  93 -12.121  -4.769   8.523
  722   2HB   ARG  93          3HB       ARG  93 -13.159  -4.604   9.926
  723   1HG   ARG  93          2HG       ARG  93 -11.185  -6.833   9.549
  724   2HG   ARG  93          3HG       ARG  93 -10.841  -5.339  10.424
  725   1HD   ARG  93          2HD       ARG  93 -13.083  -7.231  11.113
  726   2HD   ARG  93          3HD       ARG  93 -11.500  -7.238  11.891
  727    HE   ARG  93           HE       ARG  93 -12.411  -4.643  12.097
  728   1HH1  ARG  93          2HH1      ARG  93 -13.684  -7.761  13.037
  729   2HH1  ARG  93          1HH1      ARG  93 -14.338  -7.192  14.545
  730   1HH2  ARG  93          2HH2      ARG  93 -13.240  -3.880  14.093
  731   2HH2  ARG  93          1HH2      ARG  93 -14.077  -4.978  15.145
  732    H    GLY  94           HN       GLY  94 -13.529  -5.355   6.307
  733   1HA   GLY  94          1HA       GLY  94 -14.889  -4.124   4.884
  734   2HA   GLY  94          2HA       GLY  94 -16.199  -4.269   6.051
  735    H    GLU  95           HN       GLU  95 -13.171  -3.275   7.231
  736    HA   GLU  95           HA       GLU  95 -14.159  -0.548   7.634
  737   1HB   GLU  95          2HB       GLU  95 -11.907  -2.054   8.967
  738   2HB   GLU  95          3HB       GLU  95 -12.352  -0.392   9.330
  739   1HG   GLU  95          2HG       GLU  95 -14.545  -1.121  10.074
  740   2HG   GLU  95          3HG       GLU  95 -14.142  -2.790   9.672
  741    H    LEU  96           HN       LEU  96 -11.787  -2.362   5.953
  742    HA   LEU  96           HA       LEU  96  -9.909  -0.250   5.520
  743   1HB   LEU  96          2HB       LEU  96  -9.376  -2.701   5.498
  744   2HB   LEU  96          3HB       LEU  96 -10.251  -2.825   3.986
  745    HG   LEU  96           HG       LEU  96  -8.620  -1.428   2.867
  746   1HD1  LEU  96          1HD1      LEU  96  -8.077  -0.493   5.462
  747   2HD1  LEU  96          2HD1      LEU  96  -6.608  -1.294   4.909
  748   3HD1  LEU  96          3HD1      LEU  96  -7.313   0.012   3.955
  749   1HD2  LEU  96          1HD2      LEU  96  -8.237  -3.973   3.647
  750   2HD2  LEU  96          2HD2      LEU  96  -7.080  -3.077   2.657
  751   3HD2  LEU  96          3HD2      LEU  96  -6.829  -3.214   4.396
  752    H    GLN  97           HN       GLN  97 -12.436  -1.809   3.792
  753    HA   GLN  97           HA       GLN  97 -12.471  -0.255   1.447
  754   1HB   GLN  97          2HB       GLN  97 -14.998  -0.950   1.567
  755   2HB   GLN  97          3HB       GLN  97 -13.748  -2.126   1.182
  756   1HG   GLN  97          2HG       GLN  97 -13.754  -2.772   3.606
  757   2HG   GLN  97          3HG       GLN  97 -15.173  -1.739   3.804
  758   1HE2  GLN  97          1HE2      GLN  97 -14.032  -4.799   2.910
  759   2HE2  GLN  97          2HE2      GLN  97 -15.496  -5.448   2.262
  760    H    GLN  98           HN       GLN  98 -13.515   0.362   4.653
  761    HA   GLN  98           HA       GLN  98 -15.188   2.588   3.995
  762   1HB   GLN  98          2HB       GLN  98 -13.993   1.513   6.534
  763   2HB   GLN  98          3HB       GLN  98 -14.810   3.055   6.518
  764   1HG   GLN  98          2HG       GLN  98 -16.047   0.467   5.623
  765   2HG   GLN  98          3HG       GLN  98 -16.230   1.153   7.235
  766   1HE2  GLN  98          1HE2      GLN  98 -16.125   3.824   5.500
  767   2HE2  GLN  98          2HE2      GLN  98 -17.796   4.027   5.092
  768    H    LEU  99           HN       LEU  99 -11.908   2.155   5.216
  769    HA   LEU  99           HA       LEU  99 -11.232   4.897   5.304
  770   1HB   LEU  99          2HB       LEU  99  -9.339   2.591   4.864
  771   2HB   LEU  99          3HB       LEU  99  -8.965   4.149   5.573
  772    HG   LEU  99           HG       LEU  99 -10.695   2.006   6.807
  773   1HD1  LEU  99          1HD1      LEU  99  -8.603   1.198   7.181
  774   2HD1  LEU  99          2HD1      LEU  99  -7.843   2.786   7.069
  775   3HD1  LEU  99          3HD1      LEU  99  -8.707   2.324   8.534
  776   1HD2  LEU  99          1HD2      LEU  99 -10.006   4.805   7.656
  777   2HD2  LEU  99          2HD2      LEU  99 -11.587   4.025   7.587
  778   3HD2  LEU  99          3HD2      LEU  99 -10.428   3.561   8.833
  779    H    ILE 100           HN       ILE 100 -10.615   2.355   2.906
  780    HA   ILE 100           HA       ILE 100  -9.145   3.948   1.115
  781    HB   ILE 100           HB       ILE 100 -10.890   1.575   0.430
  782   1HG1  ILE 100          2HG1      ILE 100  -9.097   1.125   2.145
  783   2HG1  ILE 100          3HG1      ILE 100  -8.948   0.192   0.661
  784   1HG2  ILE 100          1HG2      ILE 100  -8.579   1.889  -1.230
  785   2HG2  ILE 100          2HG2      ILE 100 -10.284   1.870  -1.684
  786   3HG2  ILE 100          3HG2      ILE 100  -9.513   3.388  -1.224
  787   1HD1  ILE 100          1HD1      ILE 100  -7.083   1.990   1.891
  788   2HD1  ILE 100          2HD1      ILE 100  -6.847   0.873   0.543
  789   3HD1  ILE 100          3HD1      ILE 100  -7.444   2.508   0.243
  790    H    LYS 101           HN       LYS 101 -12.615   3.155   1.210
  791    HA   LYS 101           HA       LYS 101 -13.404   4.423  -1.111
  792   1HB   LYS 101          2HB       LYS 101 -14.943   3.030   0.033
  793   2HB   LYS 101          3HB       LYS 101 -14.866   4.018   1.491
  794   1HG   LYS 101          2HG       LYS 101 -15.921   5.859   0.269
  795   2HG   LYS 101          3HG       LYS 101 -16.022   4.842  -1.154
  796   1HD   LYS 101          2HD       LYS 101 -18.159   4.892   0.049
  797   2HD   LYS 101          3HD       LYS 101 -17.462   3.272   0.037
  798   1HE   LYS 101          2HE       LYS 101 -16.611   3.619   2.302
  799   2HE   LYS 101          3HE       LYS 101 -17.299   5.244   2.313
  800   1HZ   LYS 101          1HZ       LYS 101 -19.445   3.792   1.684
  801   2HZ   LYS 101          2HZ       LYS 101 -19.017   4.187   3.279
  802   3HZ   LYS 101          3HZ       LYS 101 -18.605   2.669   2.640
  803    H    GLU 102           HN       GLU 102 -13.205   5.780   2.159
  804    HA   GLU 102           HA       GLU 102 -14.240   8.296   1.587
  805   1HB   GLU 102          2HB       GLU 102 -13.771   7.483   3.866
  806   2HB   GLU 102          3HB       GLU 102 -12.045   7.587   3.547
  807   1HG   GLU 102          2HG       GLU 102 -12.273  10.015   3.239
  808   2HG   GLU 102          3HG       GLU 102 -13.987   9.885   3.630
  809    H    THR 103           HN       THR 103 -10.908   7.136   1.437
  810    HA   THR 103           HA       THR 103  -9.777   9.559   0.489
  811    HB   THR 103           HB       THR 103  -8.766   6.727   0.242
  812    HG1  THR 103           1HG      THR 103  -9.025   8.348   2.376
  813   1HG2  THR 103          1HG2      THR 103  -7.745   8.410  -1.295
  814   2HG2  THR 103          2HG2      THR 103  -6.623   7.645  -0.168
  815   3HG2  THR 103          3HG2      THR 103  -7.202   9.282   0.138
  816    H    ALA 104           HN       ALA 104 -10.524   6.496  -1.177
  817    HA   ALA 104           HA       ALA 104  -9.703   7.319  -3.705
  818   1HB   ALA 104          1HB       ALA 104  -9.904   5.033  -3.460
  819   2HB   ALA 104          2HB       ALA 104 -11.505   5.148  -2.727
  820   3HB   ALA 104          3HB       ALA 104 -11.305   5.429  -4.458
  821    H    ALA 105           HN       ALA 105 -13.020   7.253  -2.383
  822    HA   ALA 105           HA       ALA 105 -14.297   8.116  -4.693
  823   1HB   ALA 105          1HB       ALA 105 -15.605   7.213  -2.961
  824   2HB   ALA 105          2HB       ALA 105 -15.046   8.422  -1.802
  825   3HB   ALA 105          3HB       ALA 105 -16.107   8.897  -3.131
  826    H    LYS 106           HN       LYS 106 -12.852  10.073  -2.094
  827    HA   LYS 106           HA       LYS 106 -13.758  12.513  -3.250
  828   1HB   LYS 106          2HB       LYS 106 -12.368  13.663  -1.617
  829   2HB   LYS 106          3HB       LYS 106 -13.341  12.415  -0.864
  830   1HG   LYS 106          2HG       LYS 106 -11.294  12.233   0.192
  831   2HG   LYS 106          3HG       LYS 106 -11.255  10.958  -1.021
  832   1HD   LYS 106          2HD       LYS 106  -9.129  12.096  -0.966
  833   2HD   LYS 106          3HD       LYS 106  -9.935  12.434  -2.495
  834   1HE   LYS 106          2HE       LYS 106  -8.951  14.465  -1.660
  835   2HE   LYS 106          3HE       LYS 106 -10.706  14.597  -1.550
  836   1HZ   LYS 106          1HZ       LYS 106  -9.308  13.565   0.796
  837   2HZ   LYS 106          2HZ       LYS 106 -10.664  14.586   0.699
  838   3HZ   LYS 106          3HZ       LYS 106  -9.107  15.211   0.450
  839    H    TYR 107           HN       TYR 107 -11.049  10.459  -3.847
  840    HA   TYR 107           HA       TYR 107  -9.647  12.594  -5.245
  841   1HB   TYR 107          2HB       TYR 107  -8.887   9.748  -4.656
  842   2HB   TYR 107          3HB       TYR 107  -7.992  10.714  -5.824
  843    HD1  TYR 107           1HD      TYR 107  -7.877   9.612  -2.560
  844    HD2  TYR 107           2HD      TYR 107  -7.536  13.220  -4.798
  845    HE1  TYR 107           1HE      TYR 107  -6.574  10.574  -0.768
  846    HE2  TYR 107           2HE      TYR 107  -6.216  14.214  -2.985
  847    HH   TYR 107           HH       TYR 107  -5.358  12.347  -0.084
  848    H    LYS 108           HN       LYS 108 -11.359   9.611  -5.992
  849    HA   LYS 108           HA       LYS 108 -10.936   9.793  -8.822
  850   1HB   LYS 108          2HB       LYS 108 -13.126   8.317  -7.356
  851   2HB   LYS 108          3HB       LYS 108 -12.567   8.018  -8.986
  852   1HG   LYS 108          2HG       LYS 108 -11.022   7.477  -6.461
  853   2HG   LYS 108          3HG       LYS 108 -11.848   6.283  -7.454
  854   1HD   LYS 108          2HD       LYS 108  -9.613   6.080  -8.070
  855   2HD   LYS 108          3HD       LYS 108 -10.307   7.081  -9.343
  856   1HE   LYS 108          2HE       LYS 108  -9.446   9.082  -8.233
  857   2HE   LYS 108          3HE       LYS 108  -8.761   8.077  -6.954
  858   1HZ   LYS 108          1HZ       LYS 108  -7.212   7.151  -8.431
  859   2HZ   LYS 108          2HZ       LYS 108  -7.209   8.810  -8.792
  860   3HZ   LYS 108          3HZ       LYS 108  -8.028   7.722  -9.804
  861    H    SER 109           HN       SER 109 -13.577   9.280  -9.608
  862    HA   SER 109           HA       SER 109 -14.791  11.926  -9.673
  863   1HB   SER 109          2HB       SER 109 -14.648  10.543 -11.728
  864   2HB   SER 109          3HB       SER 109 -15.612   9.299 -10.939
  865    HG   SER 109           HG       SER 109 -17.074  10.412 -12.059
  866    H    GLU 110           HN       GLU 110 -17.431  10.598  -9.871
  867    HA   GLU 110           HA       GLU 110 -18.076  10.343  -7.035
  868   1HB   GLU 110          2HB       GLU 110 -19.847  10.031  -9.470
  869   2HB   GLU 110          3HB       GLU 110 -20.394  10.072  -7.798
  870   1HG   GLU 110          2HG       GLU 110 -19.553  12.364  -7.591
  871   2HG   GLU 110          3HG       GLU 110 -19.049  12.319  -9.279
  872    H    GLU 111           HN       GLU 111 -16.239   8.534  -7.826
  873    HA   GLU 111           HA       GLU 111 -17.288   6.140  -8.859
  874   1HB   GLU 111          2HB       GLU 111 -14.671   6.762  -7.459
  875   2HB   GLU 111          3HB       GLU 111 -15.025   5.241  -8.298
  876   1HG   GLU 111          2HG       GLU 111 -14.962   7.985  -9.542
  877   2HG   GLU 111          3HG       GLU 111 -13.716   6.751  -9.687
  878    HA   PRO 112           HA       PRO 112 -18.946   4.325  -5.194
  879   1HB   PRO 112          2HB       PRO 112 -19.501   1.913  -6.188
  880   2HB   PRO 112          3HB       PRO 112 -20.423   3.350  -6.641
  881   1HG   PRO 112          2HG       PRO 112 -18.273   1.912  -8.133
  882   2HG   PRO 112          3HG       PRO 112 -19.760   2.655  -8.748
  883   1HD   PRO 112          2HD       PRO 112 -17.279   3.828  -8.884
  884   2HD   PRO 112          3HD       PRO 112 -18.809   4.724  -8.887
  885    H    ASP 113           HN       ASP 113 -16.135   4.304  -5.213
  886    HA   ASP 113           HA       ASP 113 -14.869   1.842  -4.921
  887   1HB   ASP 113          2HB       ASP 113 -14.291   4.476  -3.544
  888   2HB   ASP 113          3HB       ASP 113 -13.220   3.077  -3.520
  889    H    ALA 114           HN       ALA 114 -14.185   0.802  -3.272
  890    HA   ALA 114           HA       ALA 114 -15.196   1.376  -0.620
  891   1HB   ALA 114          1HB       ALA 114 -15.061  -1.084  -0.038
  892   2HB   ALA 114          2HB       ALA 114 -16.433  -0.618  -1.054
  893   3HB   ALA 114          3HB       ALA 114 -15.033  -1.409  -1.779
  894    H    GLU 115           HN       GLU 115 -13.317  -1.337  -0.701
  895    HA   GLU 115           HA       GLU 115 -10.861   0.027  -0.006
  896   1HB   GLU 115          2HB       GLU 115 -11.575  -1.874   1.281
  897   2HB   GLU 115          3HB       GLU 115 -11.764  -2.845  -0.162
  898   1HG   GLU 115          2HG       GLU 115  -9.337  -2.846  -0.455
  899   2HG   GLU 115          3HG       GLU 115  -9.178  -1.911   1.039