*HEADER    TOXIN                                   27-JAN-05   1WXN              
*TITLE     SOLUTION STRUCTURE OF APETX2, A SPECIFIC PEPTIDE INHIBITOR            
*TITLE    2 OF ASIC3 PROTON-GATED CHANNELS                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TOXIN APETX2;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ANTHOPLEURA ELEGANTISSIMA TOXIN 2                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANTHOPLEURA ELEGANTISSIMA;                      
*SOURCE   3 ORGANISM_COMMON: SEA ANEMONE                                         
*KEYWDS    APETX2, ANTHOPLEURA ELEGANTISSIMA TOXIN 2, ASIC, ACID-                
*KEYWDS   2 SENSING ION CHANNEL                                                  
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    B.CHAGOT, P.ESCOUBAS, S.DIOCHOT, C.BERNARD, M.LAZDUNSKI,              
*AUTHOR   2 H.DARBON                                                             
*REVDAT   1   16-AUG-05 1WXN    0                                                

 ASSI {    2}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       2.800     1.000     1.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.31429E-02 ppm1      1.886 ppm2      9.195 CV     1
  ASSI {    3}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       2.500     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.48909E-02 ppm1      3.074 ppm2      9.195 CV     1
  ASSI {    4}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.17956E-02 ppm1      4.805 ppm2      9.195 CV     1
  ASSI {    5}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HB3 ))
       1.700     0.300     0.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.24603E-01 ppm1      1.886 ppm2      3.074 CV     1
  ASSI {    6}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HA  ))
       2.400     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.42733E-02 ppm1      1.886 ppm2      4.805 CV     1
  ASSI {    7}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HA  ))
       3.300     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.12407E-02 ppm1      3.074 ppm2      4.805 CV     1
  ASSI {    8}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.900     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.23647E-02 ppm1      3.984 ppm2      9.012 CV     1
  ASSI {    9}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       3.700     1.700     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.18428E-02 ppm1      2.791 ppm2      9.012 CV     1
  ASSI {   10}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.46344E-02 ppm1      2.657 ppm2      9.012 CV     1
  ASSI {   11}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HA  ))
       3.700     1.700     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      2.657 ppm2      3.984 CV     1
  ASSI {   12}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HA  ))
       3.000     1.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.14083E-02 ppm1      2.791 ppm2      3.984 CV     1
  ASSI {   13}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HB3 ))
       1.800     0.400     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.13515E-01 ppm1      2.657 ppm2      2.791 CV     1
  ASSI {   14}
    (( segid "    " and resid 7    and name HA2 ))
    (( segid "    " and resid 7    and name HN  ))
       2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.51996E-02 ppm1      3.685 ppm2      8.885 CV     1
  ASSI {   15}
    (( segid "    " and resid 7    and name HA1 ))
    (( segid "    " and resid 7    and name HN  ))
       2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.10755E-01 ppm1      3.365 ppm2      8.885 CV     1
  ASSI {   16}
    (( segid "    " and resid 7    and name HA1 ))
    (( segid "    " and resid 7    and name HA2 ))
       1.800     0.400     0.400 peak    16 spectrum    1 weight  0.10000E+01 volume  0.21890E-01 ppm1      3.365 ppm2      3.685 CV     1
  ASSI {   17}
    (  segid "    " and resid 27   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       3.300     1.400     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.33056E-02 ppm1      0.923 ppm2      9.578 CV     1
  ASSI {   18}
    (( segid "    " and resid 27   and name HB  ))
    (( segid "    " and resid 27   and name HN  ))
       3.500     1.600     1.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.59413E-03 ppm1      4.241 ppm2      9.578 CV     1
  ASSI {   19}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.800     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.27928E-02 ppm1      4.315 ppm2      9.578 CV     1
  ASSI {   20}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 39   and name HA  ))
       2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.63410E-02 ppm1      0.311 ppm2      4.435 CV     1
  ASSI {   22}
    (( segid "    " and resid 27   and name HB  ))
    (( segid "    " and resid 27   and name HA  ))
       4.200     2.200     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.30409E-03 ppm1      4.241 ppm2      4.315 CV     1
  ASSI {   23}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       2.800     1.000     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.36557E-02 ppm1      4.471 ppm2      8.782 CV     1
  ASSI {   26}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       2.600     0.900     0.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.43808E-02 ppm1      2.489 ppm2      8.782 CV     1
  ASSI {   27}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
       3.100     1.200     1.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.21135E-02 ppm1      2.653 ppm2      8.782 CV     1
  ASSI {   28}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 8    and name HB3 ))
       1.600     0.300     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.40417E-01 ppm1      2.489 ppm2      2.653 CV     1
  ASSI {   29}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 2    and name HN  ))
       2.900     1.000     1.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.27335E-02 ppm1      4.122 ppm2      8.590 CV     1
  ASSI {   30}
    (( segid "    " and resid 2    and name HB  ))
    (( segid "    " and resid 2    and name HN  ))
       2.900     1.100     1.100 peak    30 spectrum    1 weight  0.10000E+01 volume  0.42457E-02 ppm1      3.972 ppm2      8.590 CV     1
  ASSI {   31}
    (( segid "    " and resid 2    and name HB  ))
    (( segid "    " and resid 2    and name HA  ))
       2.900     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.20611E-02 ppm1      3.972 ppm2      4.122 CV     1
  ASSI {   32}
    (  segid "    " and resid 2    and name HG2%)
    (( segid "    " and resid 2    and name HB  ))
       3.000     1.100     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.20661E-02 ppm1      1.017 ppm2      3.972 CV     1
  ASSI {   33}
    (  segid "    " and resid 2    and name HG2%)
    (( segid "    " and resid 2    and name HA  ))
       3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.12809E-02 ppm1      1.017 ppm2      4.122 CV     1
  ASSI {   34}
    (  segid "    " and resid 2    and name HG2%)
    (( segid "    " and resid 2    and name HN  ))
       3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.18279E-02 ppm1      1.017 ppm2      8.590 CV     1
  ASSI {   35}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       2.900     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.21581E-02 ppm1      4.343 ppm2      8.403 CV     1
  ASSI {   36}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.100     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.52575E-02 ppm1      1.794 ppm2      8.403 CV     1
  ASSI {   37}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HN  ))
       2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.23663E-02 ppm1      0.799 ppm2      8.403 CV     1
  ASSI {   38}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HA  ))
       2.800     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.46317E-02 ppm1      0.799 ppm2      4.343 CV     1
  ASSI {   39}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HA  ))
       2.900     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      1.794 ppm2      4.343 CV     1
  ASSI {   40}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HB3 ))
       1.700     0.400     0.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.24879E-01 ppm1      0.799 ppm2      1.794 CV     1
  ASSI {   41}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.31236E-02 ppm1      4.142 ppm2      8.324 CV     1
  ASSI {   42}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HE  ))
       4.800     2.900     1.200 peak    42 spectrum    1 weight  0.10000E+01 volume  0.27569E-03 ppm1      4.142 ppm2      7.382 CV     1
  ASSI {   43}
    (( segid "    " and resid 24   and name HD3 ))
    (( segid "    " and resid 24   and name HN  ))
       4.900     3.000     1.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.26580E-03 ppm1      2.954 ppm2      8.324 CV     1
  ASSI {   44}
    (( segid "    " and resid 24   and name HD3 ))
    (( segid "    " and resid 24   and name HE  ))
       2.600     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.36998E-02 ppm1      2.954 ppm2      7.382 CV     1
  ASSI {   45}
    (( segid "    " and resid 24   and name HD2 ))
    (( segid "    " and resid 24   and name HE  ))
       2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35565E-02 ppm1      2.848 ppm2      7.382 CV     1
  ASSI {   46}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 24   and name HE  ))
       3.000     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.20602E-02 ppm1      1.289 ppm2      7.382 CV     1
  ASSI {   47}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 24   and name HN  ))
       3.400     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.16566E-02 ppm1      1.289 ppm2      8.324 CV     1
  ASSI {   48}
    (( segid "    " and resid 24   and name HG2 ))
    (( segid "    " and resid 24   and name HN  ))
       3.100     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.21946E-02 ppm1      1.123 ppm2      8.324 CV     1
  ASSI {   49}
    (( segid "    " and resid 24   and name HG2 ))
    (( segid "    " and resid 24   and name HE  ))
       3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.21672E-02 ppm1      1.123 ppm2      7.382 CV     1
  ASSI {   50}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.36777E-02 ppm1      0.468 ppm2      8.324 CV     1
  OR {   50}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {   51}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HE  ))
       2.800     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.31843E-02 ppm1      0.468 ppm2      7.382 CV     1
  OR {   51}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HE  ))
  ASSI {   52}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HA  ))
       4.400     2.400     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.21256E-03 ppm1      0.468 ppm2      4.142 CV     1
  OR {   52}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HA  ))
  ASSI {   53}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HD3 ))
       3.600     1.700     1.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11538E-02 ppm1      0.468 ppm2      2.954 CV     1
  OR {   53}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HD3 ))
  ASSI {   54}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HD2 ))
       3.500     1.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      0.468 ppm2      2.848 CV     1
  OR {   54}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HD2 ))
  ASSI {   55}
    (( segid "    " and resid 24   and name HG2 ))
    (( segid "    " and resid 24   and name HD3 ))
       2.700     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.37108E-02 ppm1      1.123 ppm2      2.954 CV     1
  ASSI {   56}
    (( segid "    " and resid 24   and name HG2 ))
    (( segid "    " and resid 24   and name HD2 ))
       2.600     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.38018E-02 ppm1      1.123 ppm2      2.848 CV     1
  ASSI {   57}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 24   and name HD3 ))
       3.200     1.300     1.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.11224E-02 ppm1      1.289 ppm2      2.954 CV     1
  ASSI {   58}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 24   and name HD2 ))
       3.200     1.300     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.17435E-02 ppm1      1.289 ppm2      2.848 CV     1
  ASSI {   59}
    (( segid "    " and resid 24   and name HD2 ))
    (( segid "    " and resid 24   and name HD3 ))
       2.000     0.500     0.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.77776E-02 ppm1      2.848 ppm2      2.954 CV     1
  ASSI {   60}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HG3 ))
       2.100     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14620E-01 ppm1      0.468 ppm2      1.289 CV     1
  OR {   60}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HG3 ))
  ASSI {   61}
    (( segid "    " and resid 24   and name HG2 ))
    (( segid "    " and resid 24   and name HG3 ))
       1.800     0.400     0.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.16553E-01 ppm1      1.123 ppm2      1.289 CV     1
  ASSI {   62}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HG2 ))
       2.500     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.57675E-02 ppm1      0.468 ppm2      1.123 CV     1
  OR {   62}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HG2 ))
  ASSI {   67}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.25066E-02 ppm1      4.076 ppm2      8.461 CV     1
  ASSI {   68}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 10   and name HZ% )
       6.000     6.000     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.48522E-05 ppm1      4.076 ppm2      7.296 CV     1
  ASSI {   69}
    (( segid "    " and resid 10   and name HE3 ))
    (  segid "    " and resid 10   and name HZ% )
       3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.12624E-02 ppm1      2.706 ppm2      7.296 CV     1
  OR {   69}
    (( segid "    " and resid 10   and name HE2 ))
    (  segid "    " and resid 10   and name HZ% )
  ASSI {   71}
    (( segid "    " and resid 10   and name HE2 ))
    (( segid "    " and resid 10   and name HN  ))
       3.000     3.000     3.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      2.706 ppm2      8.461 CV     1
  OR {   71}
    (( segid "    " and resid 10   and name HE3 ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {   72}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HN  ))
       3.200     1.300     1.300 peak    72 spectrum    1 weight  0.10000E+01 volume  0.22163E-02 ppm1      1.719 ppm2      8.461 CV     1
  ASSI {   73}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 10   and name HZ% )
       6.000     6.000     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.88497E-05 ppm1      1.719 ppm2      7.296 CV     1
  ASSI {   74}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HN  ))
       2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.60764E-02 ppm1      1.559 ppm2      8.461 CV     1
  ASSI {   75}
    (( segid "    " and resid 10   and name HB2 ))
    (  segid "    " and resid 10   and name HZ% )
       6.000     6.000     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.69199E-05 ppm1      1.559 ppm2      7.296 CV     1
  ASSI {   76}
    (( segid "    " and resid 10   and name HD2 ))
    (  segid "    " and resid 10   and name HZ% )
       6.000     4.700     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.38652E-04 ppm1      1.390 ppm2      7.296 CV     1
  OR {   76}
    (( segid "    " and resid 10   and name HD3 ))
    (  segid "    " and resid 10   and name HZ% )
  ASSI {   77}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 10   and name HN  ))
       4.200     2.200     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.68428E-03 ppm1      1.390 ppm2      8.461 CV     1
  OR {   77}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {   78}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 10   and name HN  ))
       2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.24528E-02 ppm1      1.321 ppm2      8.461 CV     1
  ASSI {   79}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.17369E-02 ppm1      1.199 ppm2      8.461 CV     1
  ASSI {   80}
    (( segid "    " and resid 10   and name HG2 ))
    (  segid "    " and resid 10   and name HZ% )
       6.000     6.000     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.21835E-04 ppm1      1.199 ppm2      7.296 CV     1
  ASSI {   81}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HE2 ))
       3.400     1.400     1.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      1.199 ppm2      2.706 CV     1
  OR {   81}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HE3 ))
  ASSI {   82}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 10   and name HE2 ))
       2.600     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.47558E-02 ppm1      1.390 ppm2      2.706 CV     1
  OR {   82}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 10   and name HE3 ))
  OR {   82}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 10   and name HE3 ))
  OR {   82}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 10   and name HE2 ))
  ASSI {   83}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 10   and name HE3 ))
       3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.82349E-03 ppm1      1.321 ppm2      2.706 CV     1
  OR {   83}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 10   and name HE2 ))
  ASSI {   84}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HE3 ))
       6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.559 ppm2      2.706 CV     1
  OR {   84}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HE2 ))
  ASSI {   85}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HE3 ))
       5.200     3.400     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.12574E-03 ppm1      1.719 ppm2      2.706 CV     1
  OR {   85}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HE2 ))
  ASSI {   86}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HA  ))
       3.000     1.100     1.100 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12420E-02 ppm1      1.719 ppm2      4.076 CV     1
  ASSI {   87}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HA  ))
       4.000     2.000     2.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.37054E-03 ppm1      1.559 ppm2      4.076 CV     1
  ASSI {   88}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 10   and name HA  ))
       4.200     2.200     1.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.82711E-03 ppm1      1.390 ppm2      4.076 CV     1
  OR {   88}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 10   and name HA  ))
  ASSI {   89}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HB3 ))
       2.600     0.800     0.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.33084E-02 ppm1      1.199 ppm2      1.719 CV     1
  ASSI {   90}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 10   and name HB3 ))
       2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.41575E-02 ppm1      1.390 ppm2      1.719 CV     1
  OR {   90}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 10   and name HB3 ))
  ASSI {   91}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 10   and name HB3 ))
       3.400     1.400     1.400 peak    91 spectrum    1 weight  0.10000E+01 volume  0.19635E-02 ppm1      1.321 ppm2      1.719 CV     1
  ASSI {   92}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 10   and name HB2 ))
       2.600     0.900     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.28396E-02 ppm1      1.321 ppm2      1.559 CV     1
  ASSI {   93}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 10   and name HB2 ))
       2.400     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.81440E-02 ppm1      1.390 ppm2      1.559 CV     1
  OR {   93}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {   94}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HB3 ))
       1.700     0.300     0.500 peak    94 spectrum    1 weight  0.10000E+01 volume  0.24010E-01 ppm1      1.559 ppm2      1.719 CV     1
  ASSI {   95}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HB2 ))
       2.800     1.000     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.54422E-02 ppm1      1.199 ppm2      1.559 CV     1
  ASSI {   96}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HD2 ))
       2.100     0.500     0.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.16999E-01 ppm1      1.199 ppm2      1.390 CV     1
  OR {   96}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HD3 ))
  ASSI {   97}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HG3 ))
       1.700     0.400     0.500 peak    97 spectrum    1 weight  0.10000E+01 volume  0.21245E-01 ppm1      1.199 ppm2      1.321 CV     1
  ASSI {   98}
    (( segid "    " and resid 10   and name HG3 ))
    (  segid "    " and resid 10   and name HZ% )
       6.000     4.400     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.55002E-04 ppm1      1.322 ppm2      7.296 CV     1
  ASSI {   99}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.100     1.200     1.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      4.189 ppm2      8.532 CV     1
  ASSI {  100}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 31   and name HN  ))
       6.000     6.000     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.51004E-05 ppm1      2.940 ppm2      8.532 CV     1
  OR {  100}
    (( segid "    " and resid 31   and name HD3 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  101}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.200     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12031E-01 ppm1      1.497 ppm2      8.532 CV     1
  OR {  101}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  102}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HN  ))
       3.900     1.900     1.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.14689E-02 ppm1      1.383 ppm2      8.532 CV     1
  OR {  102}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  103}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HE  ))
       3.800     1.800     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.57841E-03 ppm1      1.381 ppm2      6.903 CV     1
  OR {  103}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HE  ))
  ASSI {  104}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HE  ))
       3.400     1.500     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      1.497 ppm2      6.903 CV     1
  OR {  104}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HE  ))
  ASSI {  105}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HA  ))
       3.100     1.200     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.14951E-02 ppm1      1.497 ppm2      4.189 CV     1
  OR {  105}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  106}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 31   and name HA  ))
       6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.941 ppm2      4.189 CV     1
  OR {  106}
    (( segid "    " and resid 31   and name HD3 ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  107}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 31   and name HE  ))
       2.700     0.900     0.900 peak   107 spectrum    1 weight  0.10000E+01 volume  0.38432E-02 ppm1      2.941 ppm2      6.903 CV     1
  OR {  107}
    (( segid "    " and resid 31   and name HD3 ))
    (( segid "    " and resid 31   and name HE  ))
  ASSI {  108}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HD3 ))
       2.500     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.76889E-02 ppm1      1.497 ppm2      2.941 CV     1
  OR {  108}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HD2 ))
  OR {  108}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HD2 ))
  OR {  108}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HD3 ))
  ASSI {  109}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HD3 ))
       2.600     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.43367E-02 ppm1      1.387 ppm2      2.940 CV     1
  OR {  109}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HD2 ))
  OR {  109}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HD2 ))
  OR {  109}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HD3 ))
  ASSI {  110}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HA  ))
       4.400     2.400     1.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.27556E-03 ppm1      1.386 ppm2      4.189 CV     1
  OR {  110}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  111}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HB3 ))
       2.300     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.98479E-02 ppm1      1.385 ppm2      1.496 CV     1
  OR {  111}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HB2 ))
  OR {  111}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HB2 ))
  OR {  111}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HB3 ))
  ASSI {  112}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.400     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.66415E-02 ppm1      4.175 ppm2      7.979 CV     1
  ASSI {  113}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   113 spectrum    1 weight  0.10000E+01 volume  0.21738E-02 ppm1      2.522 ppm2      7.979 CV     1
  ASSI {  114}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.22472E-02 ppm1      2.387 ppm2      7.979 CV     1
  ASSI {  115}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HA  ))
       3.300     1.400     1.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.86537E-03 ppm1      2.387 ppm2      4.175 CV     1
  ASSI {  116}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HA  ))
       3.500     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.86594E-03 ppm1      2.522 ppm2      4.175 CV     1
  ASSI {  117}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HB3 ))
       1.700     0.400     0.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.19238E-01 ppm1      2.387 ppm2      2.522 CV     1
  ASSI {  118}
    (( segid "    " and resid 17   and name HD2 ))
    (( segid "    " and resid 17   and name HE  ))
       2.700     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.33249E-02 ppm1      2.920 ppm2      6.946 CV     1
  ASSI {  119}
    (( segid "    " and resid 17   and name HD2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.25083E-03 ppm1      2.920 ppm2      7.128 CV     1
  ASSI {  120}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       3.800     1.800     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.14303E-02 ppm1      1.765 ppm2      7.128 CV     1
  ASSI {  122}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       2.800     1.000     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.24827E-02 ppm1      1.586 ppm2      7.128 CV     1
  ASSI {  123}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.000     1.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.38846E-02 ppm1      1.510 ppm2      7.128 CV     1
  OR {  123}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  124}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HE  ))
       4.100     2.100     1.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.72594E-03 ppm1      1.586 ppm2      6.946 CV     1
  ASSI {  125}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HE  ))
       2.500     0.800     0.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.52299E-02 ppm1      1.510 ppm2      6.946 CV     1
  OR {  125}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HE  ))
  ASSI {  126}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HD3 ))
       2.600     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.44194E-02 ppm1      1.510 ppm2      3.078 CV     1
  OR {  126}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HD3 ))
  ASSI {  127}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HD3 ))
       4.100     2.200     1.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.44167E-03 ppm1      1.586 ppm2      3.078 CV     1
  ASSI {  128}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HD2 ))
       6.000     4.800     0.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.50976E-04 ppm1      1.586 ppm2      2.920 CV     1
  ASSI {  129}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HD2 ))
       3.600     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.64044E-03 ppm1      1.765 ppm2      2.920 CV     1
  ASSI {  130}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HD3 ))
       3.200     1.300     1.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.14551E-02 ppm1      1.765 ppm2      3.078 CV     1
  ASSI {  131}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HE  ))
       3.400     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.15351E-02 ppm1      1.765 ppm2      6.946 CV     1
  ASSI {  132}
    (( segid "    " and resid 17   and name HD3 ))
    (( segid "    " and resid 17   and name HE  ))
       2.800     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.25549E-02 ppm1      3.078 ppm2      6.946 CV     1
  ASSI {  133}
    (( segid "    " and resid 17   and name HD2 ))
    (( segid "    " and resid 17   and name HD3 ))
       1.600     0.300     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.24812E-01 ppm1      2.920 ppm2      3.078 CV     1
  ASSI {  134}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HB3 ))
       2.300     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.11433E-01 ppm1      1.510 ppm2      1.765 CV     1
  OR {  134}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HB3 ))
  ASSI {  135}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HB3 ))
       1.700     0.400     0.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.21832E-01 ppm1      1.586 ppm2      1.765 CV     1
  ASSI {  136}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HB2 ))
       2.000     0.500     0.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.18163E-01 ppm1      1.517 ppm2      1.582 CV     1
  OR {  136}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HB2 ))
  ASSI {  137}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HD2 ))
       2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.49377E-02 ppm1      1.510 ppm2      2.920 CV     1
  OR {  137}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HD2 ))
  ASSI {  138}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       2.600     0.900     0.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.53485E-02 ppm1      4.371 ppm2      8.299 CV     1
  ASSI {  139}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
       3.700     1.700     1.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.85110E-03 ppm1      2.696 ppm2      8.299 CV     1
  ASSI {  140}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       3.600     1.600     1.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.77500E-03 ppm1      2.562 ppm2      8.299 CV     1
  ASSI {  141}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HA  ))
       4.900     3.000     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.14361E-03 ppm1      2.562 ppm2      4.371 CV     1
  ASSI {  142}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HA  ))
       4.100     2.100     1.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36006E-03 ppm1      2.696 ppm2      4.371 CV     1
  ASSI {  143}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HB3 ))
       1.800     0.400     0.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.25684E-01 ppm1      2.562 ppm2      2.696 CV     1
  ASSI {  144}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       5.200     3.400     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.43477E-04 ppm1      4.497 ppm2      8.487 CV     1
  ASSI {  145}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HN  ))
       2.200     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.74191E-02 ppm1      2.411 ppm2      8.487 CV     1
  ASSI {  146}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
       2.800     1.000     1.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.57290E-02 ppm1      2.003 ppm2      8.487 CV     1
  ASSI {  147}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HA  ))
       2.400     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.40803E-02 ppm1      2.003 ppm2      4.497 CV     1
  ASSI {  148}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HA  ))
       6.000     5.100     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.18279E-04 ppm1      2.411 ppm2      4.497 CV     1
  ASSI {  149}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HB3 ))
       1.600     0.300     0.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.25356E-01 ppm1      2.003 ppm2      2.411 CV     1
  ASSI {  150}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.900     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.24498E-02 ppm1      4.669 ppm2      8.478 CV     1
  ASSI {  151}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
       2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.33911E-02 ppm1      3.159 ppm2      4.669 CV     1
  ASSI {  152}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.200     1.300     1.300 peak   152 spectrum    1 weight  0.10000E+01 volume  0.99771E-03 ppm1      2.879 ppm2      8.478 CV     1
  ASSI {  153}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HB3 ))
       1.600     0.300     0.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.31705E-01 ppm1      2.879 ppm2      3.159 CV     1
  ASSI {  154}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
       2.700     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.67821E-02 ppm1      2.879 ppm2      4.669 CV     1
  ASSI {  155}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.800     1.800     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.14945E-02 ppm1      3.159 ppm2      8.478 CV     1
  ASSI {  156}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.35840E-02 ppm1      4.324 ppm2      7.777 CV     1
  ASSI {  157}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       2.600     0.900     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.72892E-02 ppm1      3.651 ppm2      7.777 CV     1
  ASSI {  158}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
       2.900     1.000     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.23186E-02 ppm1      3.485 ppm2      7.777 CV     1
  ASSI {  159}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HA  ))
       6.000     6.000     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.95944E-05 ppm1      3.485 ppm2      4.324 CV     1
  ASSI {  160}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 9    and name HA  ))
       4.300     2.300     1.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.21104E-03 ppm1      3.651 ppm2      4.324 CV     1
  ASSI {  161}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HB3 ))
       1.800     0.400     0.400 peak   161 spectrum    1 weight  0.10000E+01 volume  0.18648E-01 ppm1      3.485 ppm2      3.651 CV     1
  ASSI {  162}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 36   and name HN  ))
       4.900     3.000     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.33221E-03 ppm1      0.801 ppm2      8.270 CV     1
  ASSI {  163}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 36   and name HN  ))
       2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.49873E-02 ppm1      3.246 ppm2      8.270 CV     1
  ASSI {  164}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       3.000     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.17661E-02 ppm1      4.544 ppm2      8.270 CV     1
  ASSI {  165}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 36   and name HB  ))
       2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.84088E-02 ppm1      0.801 ppm2      3.246 CV     1
  ASSI {  166}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.500     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.45876E-02 ppm1      2.500 ppm2      7.540 CV     1
  ASSI {  167}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.700     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.17973E-02 ppm1      3.065 ppm2      7.540 CV     1
  ASSI {  168}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       2.800     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.21640E-02 ppm1      4.640 ppm2      7.540 CV     1
  ASSI {  169}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HB3 ))
       1.700     0.400     0.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.24173E-01 ppm1      2.500 ppm2      3.065 CV     1
  ASSI {  170}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       2.800     1.000     1.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.36006E-02 ppm1      4.332 ppm2      7.898 CV     1
  ASSI {  171}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HA  ))
       3.400     1.500     1.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.11877E-02 ppm1      2.592 ppm2      4.332 CV     1
  OR {  171}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 42   and name HA  ))
  ASSI {  172}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HN  ))
       3.000     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.24758E-02 ppm1      2.592 ppm2      7.898 CV     1
  OR {  172}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  173}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 25   and name HN  ))
       2.200     0.600     0.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.91145E-02 ppm1      3.245 ppm2      8.159 CV     1
  ASSI {  174}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.800     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.47530E-02 ppm1      3.560 ppm2      8.159 CV     1
  ASSI {  175}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 25   and name HA2 ))
       1.700     0.400     0.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.28176E-01 ppm1      3.245 ppm2      3.560 CV     1
  ASSI {  176}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10322E-01 ppm1      3.710 ppm2      8.445 CV     1
  ASSI {  177}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       2.800     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.28783E-02 ppm1      2.741 ppm2      8.445 CV     1
  OR {  177}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  178}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HA  ))
       2.800     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.37798E-02 ppm1      2.741 ppm2      3.710 CV     1
  OR {  178}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HA  ))
  ASSI {  179}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.26742E-02 ppm1      3.795 ppm2      8.545 CV     1
  ASSI {  180}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       2.500     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.76534E-02 ppm1      2.504 ppm2      8.545 CV     1
  OR {  180}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {  181}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HA  ))
       2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.30437E-02 ppm1      2.505 ppm2      3.796 CV     1
  OR {  181}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HA  ))
  ASSI {  182}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.700     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.28176E-02 ppm1      3.600 ppm2      7.616 CV     1
  ASSI {  183}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       3.200     1.300     1.300 peak   183 spectrum    1 weight  0.10000E+01 volume  0.51638E-02 ppm1      2.543 ppm2      7.616 CV     1
  ASSI {  184}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.36833E-02 ppm1      2.234 ppm2      7.616 CV     1
  ASSI {  187}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HB3 ))
       6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.234 ppm2      2.543 CV     1
  ASSI {  188}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
       4.500     2.500     1.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.21281E-03 ppm1      3.335 ppm2      7.923 CV     1
  ASSI {  189}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HA  ))
       3.100     1.200     1.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16536E-02 ppm1      3.947 ppm2      5.288 CV     1
  ASSI {  190}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.28342E-02 ppm1      5.288 ppm2      7.923 CV     1
  ASSI {  191}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 29   and name HA  ))
       3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.19390E-02 ppm1      3.335 ppm2      5.288 CV     1
  ASSI {  192}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
       3.800     1.800     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.62941E-03 ppm1      3.947 ppm2      7.923 CV     1
  ASSI {  193}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 29   and name HB3 ))
       2.000     0.500     0.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.95504E-02 ppm1      3.335 ppm2      3.947 CV     1
  ASSI {  194}
    (  segid "    " and resid 3    and name HB% )
    (( segid "    " and resid 3    and name HN  ))
       2.300     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.11243E-01 ppm1      1.169 ppm2      8.239 CV     1
  ASSI {  195}
    (  segid "    " and resid 3    and name HB% )
    (( segid "    " and resid 3    and name HA  ))
       3.000     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.16288E-02 ppm1      1.169 ppm2      4.245 CV     1
  ASSI {  196}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
       2.800     1.000     1.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.26993E-02 ppm1      4.245 ppm2      8.239 CV     1
  ASSI {  197}
    (( segid "    " and resid 28   and name HA2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.700     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.28589E-02 ppm1      4.199 ppm2      8.104 CV     1
  ASSI {  198}
    (( segid "    " and resid 28   and name HA1 ))
    (( segid "    " and resid 28   and name HN  ))
       2.800     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.32532E-02 ppm1      3.412 ppm2      8.104 CV     1
  ASSI {  199}
    (( segid "    " and resid 28   and name HA1 ))
    (( segid "    " and resid 28   and name HA2 ))
       2.400     0.700     0.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.30795E-02 ppm1      3.412 ppm2      4.199 CV     1
  ASSI {  200}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 6    and name HN  ))
       3.600     1.600     1.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.62335E-03 ppm1      4.599 ppm2      8.104 CV     1
  ASSI {  201}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 6    and name HN  ))
       3.500     1.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.14959E-02 ppm1      2.885 ppm2      8.104 CV     1
  ASSI {  202}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 6    and name HN  ))
       2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.36089E-02 ppm1      2.300 ppm2      8.104 CV     1
  ASSI {  203}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 6    and name HB3 ))
       1.700     0.300     0.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.34931E-01 ppm1      2.300 ppm2      2.885 CV     1
  ASSI {  204}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HD2 ))
       2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.25535E-02 ppm1      1.624 ppm2      3.463 CV     1
  OR {  204}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HD2 ))
  ASSI {  205}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HD2 ))
       2.900     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.55498E-02 ppm1      1.797 ppm2      3.463 CV     1
  OR {  205}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HD2 ))
  ASSI {  206}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HD3 ))
       3.500     1.600     1.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.19365E-02 ppm1      1.797 ppm2      3.602 CV     1
  OR {  206}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HD3 ))
  ASSI {  207}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HD3 ))
       2.900     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.20429E-02 ppm1      1.621 ppm2      3.602 CV     1
  OR {  207}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HD3 ))
  ASSI {  208}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HB3 ))
       3.000     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.32560E-02 ppm1      0.431 ppm2      1.773 CV     1
  ASSI {  209}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HB3 ))
       2.600     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.27148E-02 ppm1      0.503 ppm2      1.773 CV     1
  ASSI {  210}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HD2 ))
       3.100     1.200     1.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.33000E-02 ppm1      0.503 ppm2      2.185 CV     1
  ASSI {  211}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HD2 ))
       2.700     0.900     0.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.22301E-02 ppm1      0.431 ppm2      2.185 CV     1
  ASSI {  212}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HD3 ))
       2.900     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.42209E-02 ppm1      0.431 ppm2      2.447 CV     1
  ASSI {  213}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HD3 ))
       2.800     1.000     1.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      0.503 ppm2      2.447 CV     1
  ASSI {  214}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HD3 ))
       4.000     2.000     2.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11899E-02 ppm1      1.283 ppm2      2.447 CV     1
  ASSI {  215}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HD2 ))
       6.000     5.200     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.29389E-04 ppm1      1.283 ppm2      2.185 CV     1
  ASSI {  216}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HB3 ))
       1.700     0.400     0.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.19200E-01 ppm1      1.283 ppm2      1.773 CV     1
  ASSI {  217}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HD3 ))
       4.600     2.700     1.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.38625E-03 ppm1      1.773 ppm2      2.447 CV     1
  ASSI {  218}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HD2 ))
       4.500     2.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.57593E-03 ppm1      1.773 ppm2      2.185 CV     1
  ASSI {  219}
    (( segid "    " and resid 21   and name HD2 ))
    (( segid "    " and resid 21   and name HD3 ))
       1.600     0.300     0.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.27928E-01 ppm1      2.185 ppm2      2.447 CV     1
  ASSI {  220}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HA  ))
       6.000     6.000     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.27845E-05 ppm1      0.431 ppm2      4.057 CV     1
  ASSI {  221}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HA  ))
       6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.503 ppm2      4.057 CV     1
  ASSI {  222}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HA  ))
       3.100     1.200     1.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.10432E-02 ppm1      1.773 ppm2      4.057 CV     1
  ASSI {  223}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HA  ))
       4.100     2.100     1.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.56435E-03 ppm1      1.283 ppm2      4.057 CV     1
  ASSI {  224}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 40   and name HD3 ))
       1.700     0.400     0.500 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10419E-01 ppm1      3.620 ppm2      3.848 CV     1
  ASSI {  225}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HD3 ))
       6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.254 ppm2      3.848 CV     1
  ASSI {  226}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HD2 ))
       4.400     2.400     1.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.63686E-03 ppm1      2.254 ppm2      3.620 CV     1
  ASSI {  227}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HD2 ))
       6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.059 ppm2      3.620 CV     1
  ASSI {  228}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HD3 ))
       6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.059 ppm2      3.848 CV     1
  ASSI {  229}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 40   and name HD3 ))
       2.900     1.100     1.100 peak   229 spectrum    1 weight  0.10000E+01 volume  0.92359E-03 ppm1      1.745 ppm2      3.848 CV     1
  ASSI {  230}
    (( segid "    " and resid 40   and name HG2 ))
    (( segid "    " and resid 40   and name HD3 ))
       3.300     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.14355E-02 ppm1      1.641 ppm2      3.848 CV     1
  ASSI {  231}
    (( segid "    " and resid 40   and name HG2 ))
    (( segid "    " and resid 40   and name HD2 ))
       2.600     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      1.641 ppm2      3.620 CV     1
  ASSI {  232}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 40   and name HD2 ))
       3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.26773E-02 ppm1      1.745 ppm2      3.620 CV     1
  ASSI {  233}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 40   and name HB3 ))
       2.400     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.31870E-02 ppm1      1.745 ppm2      2.254 CV     1
  ASSI {  234}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HB3 ))
       1.500     0.300     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.29086E-01 ppm1      2.059 ppm2      2.254 CV     1
  ASSI {  235}
    (( segid "    " and resid 40   and name HG2 ))
    (( segid "    " and resid 40   and name HB2 ))
       2.200     0.600     0.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.59550E-02 ppm1      1.641 ppm2      2.059 CV     1
  ASSI {  236}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.000     1.100     1.100 peak   236 spectrum    1 weight  0.10000E+01 volume  0.34600E-02 ppm1      1.745 ppm2      2.059 CV     1
  ASSI {  237}
    (( segid "    " and resid 40   and name HG2 ))
    (( segid "    " and resid 40   and name HB3 ))
       3.200     1.300     1.300 peak   237 spectrum    1 weight  0.10000E+01 volume  0.21400E-02 ppm1      1.641 ppm2      2.254 CV     1
  ASSI {  238}
    (( segid "    " and resid 24   and name HD2 ))
    (( segid "    " and resid 24   and name HN  ))
       6.000     5.300     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.43201E-04 ppm1      2.848 ppm2      8.324 CV     1
  ASSI {  239}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.48991E-02 ppm1      3.956 ppm2      8.314 CV     1
  ASSI {  240}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       4.200     2.200     1.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.56380E-03 ppm1      2.948 ppm2      8.314 CV     1
  ASSI {  241}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       3.700     1.800     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.78323E-03 ppm1      2.428 ppm2      8.314 CV     1
  ASSI {  242}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HA  ))
       3.200     1.300     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.22444E-02 ppm1      2.428 ppm2      3.956 CV     1
  ASSI {  243}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HA  ))
       3.100     1.200     1.200 peak   243 spectrum    1 weight  0.10000E+01 volume  0.13382E-02 ppm1      2.948 ppm2      3.956 CV     1
  ASSI {  244}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
       1.700     0.400     0.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.24619E-01 ppm1      2.428 ppm2      2.948 CV     1
  ASSI {  245}
    (( segid "    " and resid 21   and name HD2 ))
    (( segid "    " and resid 21   and name HA  ))
       6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.185 ppm2      4.057 CV     1
  ASSI {  246}
    (( segid "    " and resid 21   and name HD3 ))
    (( segid "    " and resid 21   and name HA  ))
       6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      4.057 CV     1
  ASSI {  247}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       2.400     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.87922E-02 ppm1      4.219 ppm2      6.916 CV     1
  ASSI {  248}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       3.200     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.18618E-02 ppm1      3.465 ppm2      6.916 CV     1
  OR {  248}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  249}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HA  ))
       3.200     1.300     1.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.14140E-02 ppm1      3.465 ppm2      4.219 CV     1
  OR {  249}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HA  ))
  ASSI {  250}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       3.000     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.17410E-02 ppm1      4.642 ppm2      6.927 CV     1
  ASSI {  251}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
       4.300     2.400     1.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.28452E-03 ppm1      3.394 ppm2      6.927 CV     1
  ASSI {  252}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 5    and name HN  ))
       3.500     1.500     1.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.95504E-03 ppm1      3.264 ppm2      6.927 CV     1
  ASSI {  253}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 5    and name HB3 ))
       1.700     0.400     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.26064E-01 ppm1      3.264 ppm2      3.394 CV     1
  ASSI {  254}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 5    and name HA  ))
       2.700     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.32256E-02 ppm1      3.394 ppm2      4.642 CV     1
  ASSI {  255}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 5    and name HA  ))
       2.900     1.000     1.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      3.264 ppm2      4.642 CV     1
  ASSI {  263}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 32   and name HD% )
       2.700     0.900     0.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.41658E-02 ppm1      4.175 ppm2      6.517 CV     1
  ASSI {  264}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 32   and name HD% )
       2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.62169E-02 ppm1      2.522 ppm2      6.517 CV     1
  ASSI {  265}
    (( segid "    " and resid 32   and name HB2 ))
    (  segid "    " and resid 32   and name HD% )
       2.400     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.66195E-02 ppm1      2.387 ppm2      6.517 CV     1
  ASSI {  266}
    (( segid "    " and resid 15   and name HB2 ))
    (  segid "    " and resid 15   and name HD% )
       2.500     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.51197E-02 ppm1      2.234 ppm2      6.717 CV     1
  ASSI {  267}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 15   and name HD% )
       2.700     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.36143E-02 ppm1      2.543 ppm2      6.717 CV     1
  ASSI {  268}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
       2.800     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.31015E-02 ppm1      3.600 ppm2      6.717 CV     1
  ASSI {  269}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 13   and name HD% )
       2.800     1.000     1.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.29830E-02 ppm1      3.600 ppm2      6.461 CV     1
  ASSI {  270}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 13   and name HD% )
       3.100     3.100     2.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.41272E-02 ppm1      2.543 ppm2      6.461 CV     1
  ASSI {  272}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 33   and name HD% )
       2.800     1.000     1.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.36337E-02 ppm1      3.710 ppm2      6.489 CV     1
  ASSI {  273}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 33   and name HD% )
       2.400     0.700     0.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.89271E-02 ppm1      2.741 ppm2      6.489 CV     1
  OR {  273}
    (( segid "    " and resid 33   and name HB3 ))
    (  segid "    " and resid 33   and name HD% )
  ASSI {  274}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 12   and name HN  ))
       2.500     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.53016E-02 ppm1      1.665 ppm2      8.522 CV     1
  ASSI {  275}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.39066E-02 ppm1      4.443 ppm2      8.522 CV     1
  ASSI {  276}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HN  ))
       3.700     1.700     1.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17604E-02 ppm1      0.445 ppm2      8.522 CV     1
  ASSI {  277}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 39   and name HB  ))
       2.500     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.56132E-02 ppm1      0.311 ppm2      3.717 CV     1
  ASSI {  279}
    (( segid "    " and resid 39   and name HB  ))
    (( segid "    " and resid 39   and name HA  ))
       4.200     2.200     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.13997E-03 ppm1      3.717 ppm2      4.436 CV     1
  ASSI {  280}
    (( segid "    " and resid 39   and name HB  ))
    (( segid "    " and resid 39   and name HN  ))
       3.700     1.700     1.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.82874E-03 ppm1      3.717 ppm2      8.090 CV     1
  ASSI {  281}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 39   and name HN  ))
       2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.65175E-02 ppm1      0.311 ppm2      8.090 CV     1
  ASSI {  282}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.17791E-02 ppm1      4.436 ppm2      8.090 CV     1
  ASSI {  283}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HD1 ))
       2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.30823E-02 ppm1      2.657 ppm2      6.765 CV     1
  ASSI {  284}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HD1 ))
       4.000     2.000     2.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.87396E-03 ppm1      2.791 ppm2      6.765 CV     1
  ASSI {  285}
    (( segid "    " and resid 11   and name HA2 ))
    (( segid "    " and resid 11   and name HN  ))
       2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.23884E-02 ppm1      4.288 ppm2      8.138 CV     1
  ASSI {  286}
    (( segid "    " and resid 11   and name HA1 ))
    (( segid "    " and resid 11   and name HN  ))
       2.700     0.900     0.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.33938E-02 ppm1      3.162 ppm2      8.138 CV     1
  ASSI {  287}
    (( segid "    " and resid 11   and name HA1 ))
    (( segid "    " and resid 11   and name HA2 ))
       2.400     0.700     0.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.21060E-02 ppm1      3.162 ppm2      4.288 CV     1
  ASSI {  289}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HA  ))
       3.100     1.200     1.200 peak   289 spectrum    1 weight  0.10000E+01 volume  0.26095E-02 ppm1      2.234 ppm2      3.600 CV     1
  ASSI {  292}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HA  ))
       2.700     0.900     0.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.23522E-02 ppm1      2.543 ppm2      3.600 CV     1
  ASSI {  294}
    (  segid "    " and resid 41   and name HB% )
    (( segid "    " and resid 41   and name HA  ))
       2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.41658E-02 ppm1      0.982 ppm2      3.996 CV     1
  ASSI {  295}
    (  segid "    " and resid 41   and name HB% )
    (( segid "    " and resid 41   and name HN  ))
       2.400     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.10198E-01 ppm1      0.982 ppm2      7.517 CV     1
  ASSI {  296}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.600     0.800     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.33028E-02 ppm1      3.996 ppm2      7.517 CV     1
  ASSI {  297}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.41299E-02 ppm1      1.522 ppm2      7.821 CV     1
  OR {  297}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  298}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.000     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.18698E-02 ppm1      4.262 ppm2      7.821 CV     1
  ASSI {  299}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HA  ))
       3.500     1.600     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.68896E-03 ppm1      1.522 ppm2      4.262 CV     1
  OR {  299}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  300}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 18   and name HD3 ))
       2.000     0.500     0.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.90563E-02 ppm1      3.463 ppm2      3.602 CV     1
  ASSI {  301}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 36   and name HA  ))
       2.600     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.48247E-02 ppm1      0.801 ppm2      4.544 CV     1
  ASSI {  302}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 36   and name HA  ))
       4.100     2.100     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.30850E-03 ppm1      3.246 ppm2      4.544 CV     1
  ASSI {  304}
    (( segid "    " and resid 13   and name HB2 ))
    (  segid "    " and resid 13   and name HD% )
       2.600     0.800     0.800 peak   304 spectrum    1 weight  0.10000E+01 volume  0.44718E-02 ppm1      2.003 ppm2      6.459 CV     1
  ASSI {  305}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 13   and name HD% )
       2.800     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.60874E-02 ppm1      4.497 ppm2      6.460 CV     1
  ASSI {  306}
    (( segid "    " and resid 17   and name HD3 ))
    (( segid "    " and resid 17   and name HN  ))
       5.600     3.900     0.400 peak   306 spectrum    1 weight  0.10000E+01 volume  0.73360E-04 ppm1      3.078 ppm2      7.128 CV     1
  ASSI {  307}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.100     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.17129E-02 ppm1      4.675 ppm2      7.128 CV     1
  ASSI {  308}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 18   and name HA  ))
       4.100     2.100     1.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.41933E-03 ppm1      3.602 ppm2      4.121 CV     1
  ASSI {  309}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 18   and name HA  ))
       5.700     4.100     0.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.88965E-04 ppm1      3.463 ppm2      4.121 CV     1
  ASSI {  310}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HA  ))
       3.000     1.100     1.100 peak   310 spectrum    1 weight  0.10000E+01 volume  0.20639E-02 ppm1      1.800 ppm2      4.121 CV     1
  OR {  310}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HA  ))
  ASSI {  311}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HA  ))
       3.800     1.800     1.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.12407E-02 ppm1      1.629 ppm2      4.121 CV     1
  OR {  311}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HA  ))
  ASSI {  312}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 6    and name HA  ))
       2.900     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.35978E-02 ppm1      2.300 ppm2      4.599 CV     1
  ASSI {  313}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 6    and name HA  ))
       2.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.52382E-02 ppm1      2.885 ppm2      4.599 CV     1
  ASSI {  314}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.900     1.900     1.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.87723E-03 ppm1      2.885 ppm2      8.885 CV     1
  ASSI {  315}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 7    and name HN  ))
       4.800     2.800     1.200 peak   315 spectrum    1 weight  0.10000E+01 volume  0.42816E-03 ppm1      2.300 ppm2      8.885 CV     1
  ASSI {  316}
    (( segid "    " and resid 7    and name HA1 ))
    (( segid "    " and resid 8    and name HN  ))
       3.400     1.400     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.47117E-02 ppm1      3.365 ppm2      8.782 CV     1
  ASSI {  317}
    (( segid "    " and resid 7    and name HA2 ))
    (( segid "    " and resid 8    and name HN  ))
       2.000     0.500     0.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.14184E-01 ppm1      3.685 ppm2      8.782 CV     1
  ASSI {  320}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       3.100     1.200     1.200 peak   320 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1      4.471 ppm2      7.777 CV     1
  ASSI {  321}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       4.500     2.600     1.500 peak   321 spectrum    1 weight  0.10000E+01 volume  0.34435E-03 ppm1      2.653 ppm2      7.777 CV     1
  ASSI {  322}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
       4.400     2.500     1.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.43257E-03 ppm1      2.489 ppm2      7.777 CV     1
  ASSI {  323}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 10   and name HN  ))
       3.500     1.500     1.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      3.485 ppm2      8.461 CV     1
  ASSI {  324}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 10   and name HN  ))
       4.100     2.100     1.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.28948E-03 ppm1      3.651 ppm2      8.461 CV     1
  ASSI {  325}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.000     0.500     0.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.17606E-01 ppm1      4.324 ppm2      8.461 CV     1
  ASSI {  326}
    (  segid "    " and resid 10   and name HZ% )
    (( segid "    " and resid 10   and name HN  ))
       6.000     6.000     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.55139E-05 ppm1      7.296 ppm2      8.461 CV     1
  ASSI {  327}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 10   and name HA  ))
       4.100     2.100     1.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.22852E-03 ppm1      1.199 ppm2      4.076 CV     1
  ASSI {  328}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 10   and name HA  ))
       3.600     1.600     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.82711E-03 ppm1      1.325 ppm2      4.076 CV     1
  ASSI {  329}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       2.200     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.12007E-01 ppm1      4.599 ppm2      8.885 CV     1
  ASSI {  330}
    (( segid "    " and resid 12   and name HG13))
    (( segid "    " and resid 12   and name HN  ))
       3.100     1.200     1.200 peak   330 spectrum    1 weight  0.10000E+01 volume  0.16446E-02 ppm1      1.177 ppm2      8.522 CV     1
  OR {  330}
    (( segid "    " and resid 12   and name HG12))
    (( segid "    " and resid 12   and name HN  ))
  ASSI {  331}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 12   and name HN  ))
       4.200     2.200     1.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.66911E-03 ppm1      0.535 ppm2      8.522 CV     1
  ASSI {  332}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 12   and name HB  ))
       3.300     1.400     1.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.36199E-02 ppm1      0.535 ppm2      1.665 CV     1
  ASSI {  333}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HB  ))
       2.200     0.600     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.11397E-01 ppm1      0.445 ppm2      1.665 CV     1
  ASSI {  334}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HA  ))
       2.700     0.900     0.900 peak   334 spectrum    1 weight  0.10000E+01 volume  0.40803E-02 ppm1      0.445 ppm2      4.443 CV     1
  ASSI {  335}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 12   and name HA  ))
       2.800     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.29775E-02 ppm1      1.665 ppm2      4.443 CV     1
  ASSI {  336}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 12   and name HA  ))
       2.300     0.700     0.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.68924E-02 ppm1      0.535 ppm2      4.443 CV     1
  ASSI {  337}
    (( segid "    " and resid 12   and name HG12))
    (( segid "    " and resid 12   and name HB  ))
       2.300     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.83342E-02 ppm1      1.177 ppm2      1.665 CV     1
  OR {  337}
    (( segid "    " and resid 12   and name HG13))
    (( segid "    " and resid 12   and name HB  ))
  ASSI {  338}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HG12))
       2.500     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.87588E-02 ppm1      0.445 ppm2      1.177 CV     1
  OR {  338}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 12   and name HG13))
  ASSI {  339}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 12   and name HG13))
       2.200     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.98834E-02 ppm1      0.535 ppm2      1.177 CV     1
  OR {  339}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 12   and name HG12))
  ASSI {  340}
    (  segid "    " and resid 12   and name HG2%)
    (  segid "    " and resid 12   and name HD1%)
       2.100     0.600     0.600 peak   340 spectrum    1 weight  0.10000E+01 volume  0.15144E-01 ppm1      0.445 ppm2      0.535 CV     1
  ASSI {  341}
    (( segid "    " and resid 12   and name HG13))
    (( segid "    " and resid 12   and name HA  ))
       3.500     1.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      1.177 ppm2      4.443 CV     1
  OR {  341}
    (( segid "    " and resid 12   and name HG12))
    (( segid "    " and resid 12   and name HA  ))
  ASSI {  342}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 13   and name HN  ))
       4.200     2.200     1.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.13647E-02 ppm1      0.535 ppm2      8.487 CV     1
  ASSI {  343}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 13   and name HN  ))
       2.500     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.46317E-02 ppm1      0.441 ppm2      8.487 CV     1
  ASSI {  344}
    (( segid "    " and resid 12   and name HG13))
    (( segid "    " and resid 13   and name HN  ))
       4.800     2.900     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.75235E-03 ppm1      1.179 ppm2      8.487 CV     1
  OR {  344}
    (( segid "    " and resid 12   and name HG12))
    (( segid "    " and resid 13   and name HN  ))
  ASSI {  345}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.15979E-01 ppm1      4.443 ppm2      8.487 CV     1
  ASSI {  346}
    (( segid "    " and resid 13   and name HB3 ))
    (  segid "    " and resid 13   and name HD% )
       2.300     0.700     0.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.85082E-02 ppm1      2.411 ppm2      6.459 CV     1
  ASSI {  347}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       4.000     2.000     2.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.44773E-03 ppm1      2.008 ppm2      9.012 CV     1
  ASSI {  348}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       6.000     4.600     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.12155E-03 ppm1      2.416 ppm2      9.012 CV     1
  ASSI {  349}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.000     0.500     0.500 peak   349 spectrum    1 weight  0.10000E+01 volume  0.13170E-01 ppm1      4.497 ppm2      9.012 CV     1
  ASSI {  350}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HD1 ))
       3.400     1.500     1.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.11877E-02 ppm1      3.987 ppm2      6.765 CV     1
  ASSI {  351}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.100     0.600     0.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.13672E-01 ppm1      3.985 ppm2      7.616 CV     1
  ASSI {  352}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       3.300     1.300     1.300 peak   352 spectrum    1 weight  0.10000E+01 volume  0.98536E-03 ppm1      2.791 ppm2      7.616 CV     1
  ASSI {  353}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       6.000     5.200     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.66277E-04 ppm1      2.660 ppm2      7.616 CV     1
  ASSI {  354}
    (( segid "    " and resid 4    and name HB2 ))
    (( segid "    " and resid 4    and name HN  ))
       3.300     1.400     1.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.19089E-02 ppm1      1.184 ppm2      7.474 CV     1
  ASSI {  355}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 4    and name HN  ))
       3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.13705E-02 ppm1      2.200 ppm2      7.474 CV     1
  ASSI {  356}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       2.500     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.54808E-02 ppm1      4.239 ppm2      7.474 CV     1
  ASSI {  357}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       4.100     2.100     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.76562E-03 ppm1      2.234 ppm2      8.314 CV     1
  ASSI {  358}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       4.200     2.200     1.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.29720E-03 ppm1      2.543 ppm2      8.314 CV     1
  ASSI {  359}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.200     0.600     0.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.83506E-02 ppm1      3.600 ppm2      8.314 CV     1
  ASSI {  360}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.600     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.42816E-02 ppm1      3.956 ppm2      7.128 CV     1
  ASSI {  361}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       4.800     2.900     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.23826E-03 ppm1      2.428 ppm2      7.128 CV     1
  ASSI {  362}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       5.000     3.100     1.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.26001E-03 ppm1      2.948 ppm2      7.128 CV     1
  ASSI {  363}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.14162E-01 ppm1      4.189 ppm2      7.979 CV     1
  ASSI {  364}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
       3.700     1.700     1.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.73694E-03 ppm1      2.522 ppm2      8.445 CV     1
  ASSI {  365}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       3.800     1.800     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.16349E-02 ppm1      2.387 ppm2      8.445 CV     1
  ASSI {  366}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.200     0.600     0.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.11824E-01 ppm1      4.175 ppm2      8.445 CV     1
  ASSI {  367}
    (( segid "    " and resid 24   and name HG2 ))
    (( segid "    " and resid 24   and name HA  ))
       5.200     3.300     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.79289E-04 ppm1      1.123 ppm2      4.142 CV     1
  ASSI {  368}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 24   and name HA  ))
       3.800     1.800     1.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.78025E-03 ppm1      1.289 ppm2      4.142 CV     1
  ASSI {  369}
    (( segid "    " and resid 24   and name HD2 ))
    (( segid "    " and resid 24   and name HA  ))
       4.800     2.900     1.200 peak   369 spectrum    1 weight  0.10000E+01 volume  0.14110E-03 ppm1      2.848 ppm2      4.142 CV     1
  ASSI {  370}
    (( segid "    " and resid 24   and name HD3 ))
    (( segid "    " and resid 24   and name HA  ))
       6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.954 ppm2      4.142 CV     1
  ASSI {  371}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       3.500     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.84116E-03 ppm1      4.143 ppm2      8.159 CV     1
  ASSI {  372}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 25   and name HN  ))
       2.700     2.700     3.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.16525E-02 ppm1      1.289 ppm2      8.159 CV     1
  ASSI {  373}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       4.000     2.000     2.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.71018E-03 ppm1      0.468 ppm2      8.159 CV     1
  OR {  373}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  374}
    (( segid "    " and resid 25   and name HA2 ))
    (( segid "    " and resid 26   and name HN  ))
       3.500     1.600     1.600 peak   374 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      3.561 ppm2      7.540 CV     1
  ASSI {  375}
    (( segid "    " and resid 25   and name HA1 ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   375 spectrum    1 weight  0.10000E+01 volume  0.15676E-02 ppm1      3.244 ppm2      7.540 CV     1
  ASSI {  376}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 26   and name HA  ))
       2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      3.065 ppm2      4.640 CV     1
  ASSI {  377}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HA  ))
       3.000     1.100     1.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.27597E-02 ppm1      2.500 ppm2      4.640 CV     1
  ASSI {  378}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       4.300     2.400     1.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.10614E-02 ppm1      2.499 ppm2      8.104 CV     1
  ASSI {  379}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       2.900     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28149E-02 ppm1      3.065 ppm2      8.104 CV     1
  ASSI {  381}
    (( segid "    " and resid 26   and name HB3 ))
    (  segid "    " and resid 26   and name HD% )
       2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.67242E-02 ppm1      3.065 ppm2      6.847 CV     1
  ASSI {  382}
    (( segid "    " and resid 26   and name HB2 ))
    (  segid "    " and resid 26   and name HD% )
       2.000     0.500     0.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.18797E-01 ppm1      2.500 ppm2      6.847 CV     1
  ASSI {  383}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 26   and name HD% )
       2.100     0.500     0.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.10675E-01 ppm1      4.641 ppm2      6.849 CV     1
  ASSI {  385}
    (( segid "    " and resid 27   and name HB  ))
    (( segid "    " and resid 41   and name HN  ))
       3.200     3.200     2.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.25496E-02 ppm1      4.241 ppm2      7.517 CV     1
  ASSI {  386}
    (( segid "    " and resid 40   and name HD3 ))
    (( segid "    " and resid 27   and name HN  ))
       2.700     2.700     3.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.44663E-02 ppm1      3.848 ppm2      9.578 CV     1
  ASSI {  387}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 27   and name HN  ))
       2.900     2.900     3.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.42209E-02 ppm1      3.620 ppm2      9.578 CV     1
  ASSI {  388}
    (( segid "    " and resid 40   and name HG2 ))
    (( segid "    " and resid 40   and name HG3 ))
       1.800     0.400     0.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.12558E-01 ppm1      1.641 ppm2      1.745 CV     1
  ASSI {  389}
    (( segid "    " and resid 1    and name HA1 ))
    (( segid "    " and resid 2    and name HN  ))
       2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.48826E-02 ppm1      3.464 ppm2      8.590 CV     1
  ASSI {  390}
    (( segid "    " and resid 1    and name HA2 ))
    (( segid "    " and resid 2    and name HN  ))
       2.500     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.46234E-02 ppm1      3.571 ppm2      8.590 CV     1
  ASSI {  391}
    (( segid "    " and resid 1    and name HA1 ))
    (( segid "    " and resid 1    and name HA2 ))
       1.700     0.400     0.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.22202E-01 ppm1      3.462 ppm2      3.571 CV     1
  ASSI {  392}
    (  segid "    " and resid 2    and name HG2%)
    (( segid "    " and resid 3    and name HN  ))
       3.700     1.700     1.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      1.017 ppm2      8.239 CV     1
  ASSI {  393}
    (( segid "    " and resid 2    and name HB  ))
    (( segid "    " and resid 3    and name HN  ))
       3.400     1.400     1.400 peak   393 spectrum    1 weight  0.10000E+01 volume  0.22318E-02 ppm1      3.973 ppm2      8.239 CV     1
  ASSI {  394}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
       2.100     0.500     0.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.16961E-01 ppm1      4.122 ppm2      8.239 CV     1
  ASSI {  395}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.100     0.500     0.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.14455E-01 ppm1      4.544 ppm2      9.195 CV     1
  ASSI {  396}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 37   and name HN  ))
       4.700     2.800     1.300 peak   396 spectrum    1 weight  0.10000E+01 volume  0.30850E-03 ppm1      3.246 ppm2      9.195 CV     1
  ASSI {  397}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 37   and name HN  ))
       2.500     0.800     0.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.56848E-02 ppm1      0.801 ppm2      9.195 CV     1
  ASSI {  398}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       2.000     0.500     0.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.12820E-01 ppm1      4.805 ppm2      8.403 CV     1
  ASSI {  399}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       3.600     1.600     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.13495E-02 ppm1      4.811 ppm2      9.013 CV     1
  ASSI {  400}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.37329E-02 ppm1      4.544 ppm2      7.979 CV     1
  ASSI {  401}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.100     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.12652E-01 ppm1      5.288 ppm2      8.478 CV     1
  ASSI {  402}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.500     1.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.27123E-02 ppm1      3.947 ppm2      8.478 CV     1
  ASSI {  403}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.000     1.100     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.57014E-02 ppm1      3.335 ppm2      8.478 CV     1
  ASSI {  404}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.500     1.500     1.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.30602E-02 ppm1      1.497 ppm2      7.979 CV     1
  OR {  404}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  405}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.800     1.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.62307E-03 ppm1      2.944 ppm2      7.979 CV     1
  OR {  405}
    (( segid "    " and resid 31   and name HD3 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  406}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HE3 ))
       3.500     1.500     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.18132E-02 ppm1      3.981 ppm2      7.475 CV     1
  ASSI {  407}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HE3 ))
       4.000     2.000     2.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.17680E-02 ppm1      2.653 ppm2      7.475 CV     1
  ASSI {  408}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HE3 ))
       2.400     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.54340E-02 ppm1      2.793 ppm2      7.475 CV     1
  ASSI {  409}
    (( segid "    " and resid 17   and name HD2 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.300     1.400     1.400 peak   409 spectrum    1 weight  0.10000E+01 volume  0.14720E-02 ppm1      2.922 ppm2      7.475 CV     1
  ASSI {  410}
    (( segid "    " and resid 17   and name HD3 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.200     1.300     1.300 peak   410 spectrum    1 weight  0.10000E+01 volume  0.17512E-02 ppm1      3.081 ppm2      7.475 CV     1
  ASSI {  411}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       3.300     1.300     1.300 peak   411 spectrum    1 weight  0.10000E+01 volume  0.10622E-02 ppm1      4.443 ppm2      7.474 CV     1
  ASSI {  412}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       2.500     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.56876E-02 ppm1      7.778 ppm2      8.782 CV     1
  ASSI {  413}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       6.000     4.900     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.56959E-04 ppm1      7.778 ppm2      8.461 CV     1
  ASSI {  414}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       1.900     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.17228E-01 ppm1      4.076 ppm2      8.138 CV     1
  ASSI {  415}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 11   and name HN  ))
       3.000     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.26323E-02 ppm1      1.719 ppm2      8.138 CV     1
  ASSI {  416}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.000     2.000     2.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.71131E-03 ppm1      1.559 ppm2      8.138 CV     1
  ASSI {  417}
    (( segid "    " and resid 11   and name HA1 ))
    (( segid "    " and resid 12   and name HN  ))
       2.900     1.100     1.100 peak   417 spectrum    1 weight  0.10000E+01 volume  0.61673E-02 ppm1      3.163 ppm2      8.522 CV     1
  ASSI {  418}
    (( segid "    " and resid 11   and name HA2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.300     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.43229E-02 ppm1      4.289 ppm2      8.522 CV     1
  ASSI {  419}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       3.300     1.300     1.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      7.128 ppm2      8.314 CV     1
  ASSI {  420}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.000     3.000     3.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.27024E-02 ppm1      4.121 ppm2      7.128 CV     1
  ASSI {  421}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 17   and name HN  ))
       3.500     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.73971E-03 ppm1      3.602 ppm2      7.128 CV     1
  ASSI {  422}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 17   and name HN  ))
       5.000     3.100     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.25651E-03 ppm1      3.463 ppm2      7.128 CV     1
  ASSI {  423}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       2.200     0.600     0.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.10959E-01 ppm1      8.160 ppm2      8.324 CV     1
  ASSI {  424}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       2.900     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      7.540 ppm2      8.159 CV     1
  ASSI {  425}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       4.000     2.000     2.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.75923E-03 ppm1      4.245 ppm2      8.487 CV     1
  ASSI {  426}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       3.100     1.200     1.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.49956E-02 ppm1      2.881 ppm2      8.532 CV     1
  ASSI {  427}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       2.600     0.800     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.39948E-02 ppm1      3.159 ppm2      8.532 CV     1
  ASSI {  428}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.300     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.96463E-02 ppm1      4.673 ppm2      8.532 CV     1
  ASSI {  429}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       4.500     2.500     1.500 peak   429 spectrum    1 weight  0.10000E+01 volume  0.46813E-03 ppm1      7.979 ppm2      8.445 CV     1
  ASSI {  430}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       4.100     2.100     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.26781E-03 ppm1      7.821 ppm2      8.445 CV     1
  ASSI {  431}
    (( segid "    " and resid 35   and name HA1 ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.18857E-02 ppm1      4.110 ppm2      8.213 CV     1
  OR {  431}
    (( segid "    " and resid 35   and name HA2 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  432}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.600     1.600     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.89491E-03 ppm1      4.262 ppm2      8.213 CV     1
  ASSI {  433}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.200     1.200     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.15660E-02 ppm1      3.711 ppm2      7.821 CV     1
  ASSI {  434}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       2.300     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.11138E-01 ppm1      2.742 ppm2      7.821 CV     1
  OR {  434}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  435}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.17430E-02 ppm1      7.821 ppm2      8.214 CV     1
  ASSI {  436}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       4.200     2.200     1.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.73474E-03 ppm1      2.501 ppm2      9.578 CV     1
  ASSI {  437}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.23167E-02 ppm1      3.065 ppm2      9.578 CV     1
  ASSI {  438}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       1.900     0.500     0.500 peak   438 spectrum    1 weight  0.10000E+01 volume  0.11653E-01 ppm1      4.641 ppm2      9.578 CV     1
  ASSI {  439}
    (  segid "    " and resid 3    and name HB% )
    (( segid "    " and resid 4    and name HN  ))
       3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.30630E-02 ppm1      1.170 ppm2      7.474 CV     1
  ASSI {  440}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 4    and name HN  ))
       2.300     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.64403E-02 ppm1      4.246 ppm2      7.474 CV     1
  ASSI {  441}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
       3.500     1.500     1.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.21005E-02 ppm1      2.200 ppm2      6.927 CV     1
  ASSI {  442}
    (( segid "    " and resid 4    and name HB2 ))
    (( segid "    " and resid 5    and name HN  ))
       2.800     1.000     1.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.40775E-02 ppm1      1.184 ppm2      6.927 CV     1
  ASSI {  443}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 6    and name HN  ))
       2.900     1.100     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.34517E-02 ppm1      3.264 ppm2      8.104 CV     1
  ASSI {  444}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 6    and name HN  ))
       2.900     1.100     1.100 peak   444 spectrum    1 weight  0.10000E+01 volume  0.41106E-02 ppm1      3.394 ppm2      8.104 CV     1
  ASSI {  445}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 6    and name HN  ))
       1.900     0.500     0.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.21229E-01 ppm1      4.642 ppm2      8.104 CV     1
  ASSI {  446}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       3.200     1.300     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.11290E-02 ppm1      8.271 ppm2      9.013 CV     1
  ASSI {  447}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 11   and name HN  ))
       3.000     1.100     1.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.17280E-02 ppm1      7.474 ppm2      8.139 CV     1
  ASSI {  448}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       3.600     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.62335E-03 ppm1      7.778 ppm2      8.104 CV     1
  ASSI {  449}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       5.200     3.400     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.61838E-04 ppm1      8.403 ppm2      8.522 CV     1
  ASSI {  450}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.30547E-02 ppm1      8.479 ppm2      9.195 CV     1
  ASSI {  451}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.300     1.300     1.300 peak   451 spectrum    1 weight  0.10000E+01 volume  0.12310E-02 ppm1      4.190 ppm2      9.195 CV     1
  ASSI {  452}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       4.100     2.100     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.15673E-02 ppm1      4.436 ppm2      7.517 CV     1
  ASSI {  453}
    (( segid "    " and resid 39   and name HB  ))
    (( segid "    " and resid 41   and name HN  ))
       4.000     2.000     2.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.82817E-03 ppm1      3.717 ppm2      7.517 CV     1
  ASSI {  454}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 41   and name HN  ))
       5.000     3.100     1.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.43781E-03 ppm1      0.311 ppm2      7.517 CV     1
  ASSI {  455}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       2.300     0.700     0.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.77556E-02 ppm1      3.998 ppm2      7.898 CV     1
  ASSI {  456}
    (  segid "    " and resid 41   and name HB% )
    (( segid "    " and resid 42   and name HN  ))
       3.400     1.400     1.400 peak   456 spectrum    1 weight  0.10000E+01 volume  0.28645E-02 ppm1      0.982 ppm2      7.899 CV     1
  ASSI {  457}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 29   and name HA  ))
       3.300     1.300     1.300 peak   457 spectrum    1 weight  0.10000E+01 volume  0.10091E-02 ppm1      4.343 ppm2      5.288 CV     1
  ASSI {  458}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.12211E-01 ppm1      4.219 ppm2      8.545 CV     1
  ASSI {  459}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       2.800     2.800     3.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.68979E-02 ppm1      3.465 ppm2      8.545 CV     1
  OR {  459}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {  460}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.600     2.600     1.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.27305E-03 ppm1      6.917 ppm2      8.546 CV     1
  ASSI {  461}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 19   and name HN  ))
       3.200     1.300     1.300 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11190E-02 ppm1      3.467 ppm2      6.917 CV     1
  ASSI {  462}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 19   and name HN  ))
       3.400     1.400     1.400 peak   462 spectrum    1 weight  0.10000E+01 volume  0.25259E-02 ppm1      3.602 ppm2      6.917 CV     1
  ASSI {  463}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.15555E-02 ppm1      4.125 ppm2      6.917 CV     1
  ASSI {  464}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.32063E-02 ppm1      4.371 ppm2      8.324 CV     1
  ASSI {  465}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
       4.400     2.500     1.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.30933E-03 ppm1      2.562 ppm2      8.324 CV     1
  ASSI {  466}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.696 ppm2      8.324 CV     1
  ASSI {  467}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       4.800     2.900     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.35813E-03 ppm1      7.540 ppm2      9.578 CV     1
  ASSI {  468}
    (  segid "    " and resid 26   and name HD% )
    (( segid "    " and resid 27   and name HN  ))
       3.500     1.500     1.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.18036E-02 ppm1      6.852 ppm2      9.578 CV     1
  ASSI {  469}
    (( segid "    " and resid 28   and name HA1 ))
    (( segid "    " and resid 29   and name HN  ))
       2.400     0.700     0.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.62032E-02 ppm1      3.412 ppm2      7.923 CV     1
  ASSI {  470}
    (( segid "    " and resid 28   and name HA2 ))
    (( segid "    " and resid 29   and name HN  ))
       2.900     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.85827E-02 ppm1      4.200 ppm2      7.924 CV     1
  ASSI {  471}
    (  segid "    " and resid 27   and name HG2%)
    (( segid "    " and resid 28   and name HN  ))
       3.800     1.800     1.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.95256E-03 ppm1      0.923 ppm2      8.104 CV     1
  ASSI {  472}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       1.900     0.500     0.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.12823E-01 ppm1      8.104 ppm2      9.578 CV     1
  ASSI {  474}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.000     1.200     1.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.25634E-02 ppm1      5.288 ppm2      8.091 CV     1
  ASSI {  475}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.36667E-02 ppm1      2.055 ppm2      7.517 CV     1
  ASSI {  476}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
       6.000     6.000     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.63796E-04 ppm1      2.243 ppm2      7.898 CV     1
  ASSI {  477}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 42   and name HN  ))
       4.300     2.300     1.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      2.055 ppm2      7.899 CV     1
  ASSI {  478}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       4.000     2.000     2.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.13994E-02 ppm1      2.243 ppm2      7.517 CV     1
  ASSI {  479}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       3.100     1.200     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      7.517 ppm2      7.898 CV     1
  ASSI {  480}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       3.700     1.700     1.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.77166E-03 ppm1      7.979 ppm2      9.195 CV     1
  ASSI {  481}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.100     1.200     1.200 peak   481 spectrum    1 weight  0.10000E+01 volume  0.12938E-02 ppm1      3.074 ppm2      8.478 CV     1
  ASSI {  482}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       4.800     2.900     1.200 peak   482 spectrum    1 weight  0.10000E+01 volume  0.42209E-03 ppm1      1.886 ppm2      8.479 CV     1
  ASSI {  483}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       3.500     1.500     1.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.99473E-03 ppm1      2.387 ppm2      9.195 CV     1
  ASSI {  484}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       4.300     2.300     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.71458E-03 ppm1      2.522 ppm2      9.195 CV     1
  ASSI {  485}
    (  segid "    " and resid 13   and name HD% )
    (( segid "    " and resid 14   and name HN  ))
       2.600     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.47888E-02 ppm1      6.461 ppm2      9.013 CV     1
  ASSI {  486}
    (( segid "    " and resid 14   and name HD1 ))
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.22359E-02 ppm1      6.765 ppm2      9.013 CV     1
  ASSI {  487}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       4.600     2.600     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.39920E-03 ppm1      7.616 ppm2      9.017 CV     1
  ASSI {  488}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 7    and name HN  ))
       4.400     2.400     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.41189E-03 ppm1      8.110 ppm2      8.885 CV     1
  ASSI {  489}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 8    and name HD21))
       2.800     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.33028E-02 ppm1      2.488 ppm2      7.424 CV     1
  ASSI {  490}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HD21))
       3.200     1.300     1.300 peak   490 spectrum    1 weight  0.10000E+01 volume  0.11508E-02 ppm1      2.654 ppm2      7.425 CV     1
  ASSI {  491}
    (( segid "    " and resid 8    and name HD21))
    (( segid "    " and resid 8    and name HN  ))
       4.000     2.000     2.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.42953E-03 ppm1      7.424 ppm2      8.782 CV     1
  ASSI {  492}
    (( segid "    " and resid 8    and name HD22))
    (( segid "    " and resid 8    and name HD21))
       1.600     0.300     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.35620E-01 ppm1      6.759 ppm2      7.425 CV     1
  ASSI {  493}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 2    and name HN  ))
       3.200     1.300     1.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17302E-02 ppm1      8.239 ppm2      8.590 CV     1
  ASSI {  494}
    (( segid "    " and resid 14   and name HD1 ))
    (( segid "    " and resid 14   and name HE1 ))
       2.400     0.700     0.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.64568E-02 ppm1      6.769 ppm2      9.315 CV     1
  ASSI {  495}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.100     2.100     1.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.24187E-03 ppm1      0.799 ppm2      9.316 CV     1
  ASSI {  496}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.000     2.000     2.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      1.794 ppm2      9.316 CV     1
  ASSI {  497}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 14   and name HE1 ))
       2.900     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.22000E-02 ppm1      1.671 ppm2      9.316 CV     1
  ASSI {  499}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       4.200     2.200     1.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.47282E-03 ppm1      1.794 ppm2      8.519 CV     1
  ASSI {  500}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.600     1.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.94588E-03 ppm1      4.160 ppm2      8.181 CV     1
  ASSI {  501}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.25386E-02 ppm1      3.932 ppm2      8.181 CV     1
  ASSI {  502}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 22   and name HN  ))
       2.600     0.900     0.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.49267E-02 ppm1      0.904 ppm2      8.181 CV     1
  ASSI {  503}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 22   and name HB  ))
       3.100     1.200     1.200 peak   503 spectrum    1 weight  0.10000E+01 volume  0.17302E-02 ppm1      0.904 ppm2      4.160 CV     1
  ASSI {  504}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 22   and name HA  ))
       2.900     1.100     1.100 peak   504 spectrum    1 weight  0.10000E+01 volume  0.32615E-02 ppm1      0.904 ppm2      3.932 CV     1
  ASSI {  505}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HB  ))
       3.400     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.10578E-02 ppm1      3.932 ppm2      4.160 CV     1
  ASSI {  506}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       2.700     0.900     0.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.45793E-02 ppm1      3.935 ppm2      8.299 CV     1
  ASSI {  507}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 23   and name HN  ))
       3.700     1.800     1.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.10565E-02 ppm1      0.904 ppm2      8.299 CV     1
  ASSI {  508}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 23   and name HN  ))
       3.000     3.000     3.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.39700E-02 ppm1      4.161 ppm2      8.299 CV     1
  ASSI {  509}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 30   and name HB3 ))
       2.200     2.200     3.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.55056E-02 ppm1      0.311 ppm2      3.164 CV     1
  ASSI {  510}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 30   and name HB2 ))
       2.900     2.900     3.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.11968E-02 ppm1      0.311 ppm2      2.880 CV     1
  ASSI {  511}
    (( segid "    " and resid 21   and name HD2 ))
    (( segid "    " and resid 20   and name HA  ))
       2.600     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.52520E-02 ppm1      2.185 ppm2      3.786 CV     1
  ASSI {  512}
    (( segid "    " and resid 21   and name HD3 ))
    (( segid "    " and resid 20   and name HA  ))
       2.500     0.800     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.36612E-02 ppm1      2.447 ppm2      3.786 CV     1
  ASSI {  513}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HG3 ))
       2.000     0.500     0.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.82462E-02 ppm1      0.431 ppm2      0.503 CV     1
  ASSI {  514}
    (( segid "    " and resid 21   and name HG2 ))
    (( segid "    " and resid 21   and name HB2 ))
       2.500     0.800     0.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.36530E-02 ppm1      0.431 ppm2      1.283 CV     1
  ASSI {  515}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 21   and name HB2 ))
       2.600     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.89434E-02 ppm1      0.503 ppm2      1.283 CV     1
  ASSI {  516}
    (( segid "    " and resid 4    and name HB2 ))
    (( segid "    " and resid 4    and name HB3 ))
       1.800     0.400     0.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.19373E-01 ppm1      1.184 ppm2      2.200 CV     1
  ASSI {  517}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 2    and name HN  ))
       3.500     1.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.84308E-03 ppm1      0.444 ppm2      8.590 CV     1
  ASSI {  518}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 2    and name HN  ))
       4.100     2.100     1.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.31843E-03 ppm1      0.535 ppm2      8.590 CV     1
  ASSI {  519}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 1    and name HA2 ))
       3.600     1.600     1.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.33387E-03 ppm1      0.446 ppm2      3.572 CV     1
  ASSI {  520}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 1    and name HA2 ))
       4.100     2.100     1.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.14496E-03 ppm1      0.537 ppm2      3.572 CV     1
  ASSI {  521}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 1    and name HA1 ))
       3.000     3.000     3.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.90790E-03 ppm1      0.444 ppm2      3.465 CV     1
  ASSI {  522}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 1    and name HA1 ))
       3.400     1.400     1.400 peak   522 spectrum    1 weight  0.10000E+01 volume  0.47530E-03 ppm1      0.537 ppm2      3.465 CV     1
  ASSI {  523}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 9    and name HB2 ))
       3.400     1.400     1.400 peak   523 spectrum    1 weight  0.10000E+01 volume  0.19803E-02 ppm1      0.311 ppm2      3.486 CV     1
  ASSI {  524}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 9    and name HB3 ))
       3.600     1.600     1.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.15370E-02 ppm1      0.311 ppm2      3.651 CV     1
  ASSI {  525}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 34   and name HN  ))
       3.500     1.600     1.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      1.130 ppm2      7.821 CV     1
  ASSI {  526}
    (  segid "    " and resid 34   and name HD2%)
    (( segid "    " and resid 34   and name HN  ))
       4.000     2.000     2.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.33414E-03 ppm1      0.696 ppm2      7.821 CV     1
  ASSI {  527}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
       4.000     2.000     2.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.52961E-03 ppm1      0.571 ppm2      7.821 CV     1
  ASSI {  528}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.130 ppm2      4.262 CV     1
  ASSI {  529}
    (  segid "    " and resid 34   and name HD2%)
    (( segid "    " and resid 34   and name HA  ))
       6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      4.262 CV     1
  ASSI {  530}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
       3.400     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      0.571 ppm2      4.262 CV     1
  ASSI {  531}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HB2 ))
       2.400     0.700     0.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.11397E-01 ppm1      0.571 ppm2      1.522 CV     1
  OR {  531}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  532}
    (  segid "    " and resid 34   and name HD2%)
    (( segid "    " and resid 34   and name HB3 ))
       2.200     0.600     0.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.14179E-01 ppm1      0.696 ppm2      1.522 CV     1
  OR {  532}
    (  segid "    " and resid 34   and name HD2%)
    (( segid "    " and resid 34   and name HB2 ))
  ASSI {  533}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 34   and name HB3 ))
       2.400     0.700     0.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.55415E-02 ppm1      1.130 ppm2      1.522 CV     1
  OR {  533}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI {  534}
    (  segid "    " and resid 34   and name HD2%)
    (( segid "    " and resid 34   and name HG  ))
       2.200     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.99771E-02 ppm1      0.696 ppm2      1.127 CV     1
  ASSI {  535}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HG  ))
       2.500     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.52630E-02 ppm1      0.571 ppm2      1.129 CV     1
  ASSI {  536}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 34   and name HD2%)
       2.000     0.500     0.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.24107E-01 ppm1      0.571 ppm2      0.696 CV     1
  ASSI {  537}
    (( segid "    " and resid 14   and name HD1 ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.18524E-02 ppm1      6.768 ppm2      8.403 CV     1
  ASSI {  538}
    (  segid "    " and resid 13   and name HD% )
    (( segid "    " and resid 13   and name HN  ))
       3.300     1.300     1.300 peak   538 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      6.461 ppm2      8.488 CV     1
  ASSI {  539}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
       4.500     2.500     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.45214E-03 ppm1      7.474 ppm2      8.488 CV     1
  ASSI {  540}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       4.400     2.400     1.600 peak   540 spectrum    1 weight  0.10000E+01 volume  0.22908E-03 ppm1      7.979 ppm2      8.216 CV     1
  ASSI {  541}
    (  segid "    " and resid 26   and name HD% )
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   541 spectrum    1 weight  0.10000E+01 volume  0.20115E-02 ppm1      6.848 ppm2      7.540 CV     1
  ASSI {  542}
    (  segid "    " and resid 26   and name HD% )
    (( segid "    " and resid 28   and name HN  ))
       4.200     2.200     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.97677E-03 ppm1      6.848 ppm2      8.104 CV     1
  ASSI {  543}
    (  segid "    " and resid 13   and name HD% )
    (( segid "    " and resid 35   and name HN  ))
       2.700     0.900     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.43009E-02 ppm1      6.461 ppm2      8.214 CV     1
  ASSI {  544}
    (  segid "    " and resid 13   and name HD% )
    (( segid "    " and resid 36   and name HN  ))
       3.000     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.23544E-02 ppm1      6.461 ppm2      8.270 CV     1
  ASSI {  545}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 4    and name HA  ))
       3.600     1.600     1.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.98947E-03 ppm1      2.200 ppm2      4.239 CV     1
  ASSI {  546}
    (( segid "    " and resid 4    and name HB2 ))
    (( segid "    " and resid 4    and name HA  ))
       3.500     1.500     1.500 peak   546 spectrum    1 weight  0.10000E+01 volume  0.68952E-03 ppm1      1.184 ppm2      4.239 CV     1
  ASSI {  547}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 42   and name HN  ))
       3.200     3.200     2.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.60736E-03 ppm1      0.535 ppm2      7.900 CV     1
  ASSI {  549}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 14   and name HE1 ))
       2.900     1.100     1.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.36309E-02 ppm1      0.443 ppm2      9.317 CV     1
  ASSI {  550}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 14   and name HD1 ))
       3.400     1.400     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.39452E-02 ppm1      1.794 ppm2      6.767 CV     1
  ASSI {  551}
    (( segid "    " and resid 12   and name HB  ))
    (( segid "    " and resid 14   and name HD1 ))
       3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.78742E-03 ppm1      1.670 ppm2      6.767 CV     1
  ASSI {  552}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.900     1.900     1.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.15337E-02 ppm1      0.799 ppm2      8.091 CV     1
  ASSI {  553}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       4.400     2.400     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.45710E-03 ppm1      1.794 ppm2      8.091 CV     1
  ASSI {  554}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 14   and name HD1 ))
       3.000     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.14695E-02 ppm1      0.799 ppm2      6.768 CV     1
  ASSI {  555}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 14   and name HD1 ))
       3.000     1.100     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.22651E-02 ppm1      0.445 ppm2      6.768 CV     1
  ASSI {  556}
    (( segid "    " and resid 34   and name HB3 ))
    (  segid "    " and resid 15   and name HD% )
       2.700     0.900     0.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.33000E-02 ppm1      1.524 ppm2      6.717 CV     1
  OR {  556}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  557}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 13   and name HD% )
       3.700     1.700     1.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      1.524 ppm2      6.461 CV     1
  OR {  557}
    (( segid "    " and resid 34   and name HB3 ))
    (  segid "    " and resid 13   and name HD% )
  ASSI {  558}
    (  segid "    " and resid 2    and name HG2%)
    (  segid "    " and resid 13   and name HD% )
       3.400     1.400     1.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.26670E-02 ppm1      1.017 ppm2      6.460 CV     1
  ASSI {  559}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 32   and name HD% )
       3.400     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.12558E-02 ppm1      1.524 ppm2      6.517 CV     1
  OR {  559}
    (( segid "    " and resid 34   and name HB3 ))
    (  segid "    " and resid 32   and name HD% )
  ASSI {  560}
    (  segid "    " and resid 34   and name HD2%)
    (  segid "    " and resid 13   and name HD% )
       3.800     1.800     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.98784E-03 ppm1      0.696 ppm2      6.461 CV     1
  ASSI {  561}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 13   and name HD% )
       4.600     2.700     1.400 peak   561 spectrum    1 weight  0.10000E+01 volume  0.38046E-03 ppm1      0.573 ppm2      6.461 CV     1
  ASSI {  562}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 32   and name HD% )
       3.700     1.700     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      0.573 ppm2      6.517 CV     1
  ASSI {  563}
    (  segid "    " and resid 34   and name HD2%)
    (  segid "    " and resid 32   and name HD% )
       3.100     1.200     1.200 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16376E-02 ppm1      0.698 ppm2      6.517 CV     1
  ASSI {  564}
    (  segid "    " and resid 34   and name HD2%)
    (( segid "    " and resid 31   and name HE  ))
       3.900     3.900     2.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.95476E-03 ppm1      0.696 ppm2      6.898 CV     1
  ASSI {  565}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 31   and name HE  ))
       3.800     3.800     2.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.86182E-03 ppm1      0.573 ppm2      6.898 CV     1
  ASSI {  566}
    (( segid "    " and resid 2    and name HB  ))
    (  segid "    " and resid 13   and name HD% )
       3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18563E-02 ppm1      3.974 ppm2      6.460 CV     1
  ASSI {  567}
    (( segid "    " and resid 2    and name HA  ))
    (  segid "    " and resid 13   and name HD% )
       3.100     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.23351E-02 ppm1      4.123 ppm2      6.460 CV     1
  ASSI {  568}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.700     2.700     3.300 peak   568 spectrum    1 weight  0.10000E+01 volume  0.18216E-02 ppm1      3.621 ppm2      8.104 CV     1
  ASSI {  569}
    (( segid "    " and resid 40   and name HD3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.500     3.500     2.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.40307E-03 ppm1      3.848 ppm2      8.104 CV     1
  ASSI {  570}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 29   and name HA  ))
       3.900     1.900     1.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.19577E-03 ppm1      0.311 ppm2      5.290 CV     1
  ASSI {  572}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 20   and name HN  ))
       3.100     3.100     2.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.17658E-02 ppm1      0.789 ppm2      8.544 CV     1
  ASSI {  575}
    (  segid "    " and resid 2    and name HG2%)
    (( segid "    " and resid 13   and name HN  ))
       4.300     2.300     1.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.55883E-03 ppm1      1.012 ppm2      8.485 CV     1
  ASSI {  576}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 38   and name HN  ))
       4.200     2.200     1.800 peak   576 spectrum    1 weight  0.10000E+01 volume  0.60901E-03 ppm1      0.441 ppm2      8.403 CV     1
  ASSI {  577}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.800     1.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.82491E-03 ppm1      1.378 ppm2      7.980 CV     1
  OR {  577}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  578}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       3.600     1.600     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.63134E-03 ppm1      1.519 ppm2      8.214 CV     1
  OR {  578}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  582}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.300     1.400     1.400 peak   582 spectrum    1 weight  0.10000E+01 volume  0.16952E-02 ppm1      1.513 ppm2      7.475 CV     1
  OR {  582}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 14   and name HE3 ))
  ASSI {  583}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.600     1.600     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.79928E-03 ppm1      0.471 ppm2      7.538 CV     1
  OR {  583}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  584}
    (  segid "    " and resid 12   and name HG2%)
    (( segid "    " and resid 4    and name HN  ))
       4.900     3.000     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.44883E-03 ppm1      0.442 ppm2      7.471 CV     1
  ASSI {  585}
    (( segid "    " and resid 21   and name HG3 ))
    (( segid "    " and resid 14   and name HE3 ))
       3.300     3.300     2.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.58061E-03 ppm1      0.512 ppm2      7.478 CV     1
  ASSI {  586}
    (  segid "    " and resid 2    and name HG2%)
    (  segid "    " and resid 15   and name HE% )
       3.300     1.400     1.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.12608E-02 ppm1      1.017 ppm2      6.881 CV     1
  ASSI {  590}
    (( segid "    " and resid 38   and name HB2 ))
    (  segid "    " and resid 26   and name HD% )
       3.500     1.500     1.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.16175E-02 ppm1      0.801 ppm2      6.846 CV     1
  ASSI {  592}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 32   and name HN  ))
       4.900     3.000     1.100 peak   592 spectrum    1 weight  0.10000E+01 volume  0.41216E-03 ppm1      0.792 ppm2      7.980 CV     1
  ASSI {  594}
    (( segid "    " and resid 7    and name HA1 ))
    (( segid "    " and resid 9    and name HN  ))
       4.700     2.800     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.61645E-03 ppm1      3.372 ppm2      7.779 CV     1
  ASSI {  595}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       4.300     2.400     1.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.62638E-03 ppm1      2.736 ppm2      8.214 CV     1
  OR {  595}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  596}
    (( segid "    " and resid 11   and name HA1 ))
    (( segid "    " and resid 41   and name HN  ))
       4.200     2.200     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.80836E-03 ppm1      3.166 ppm2      7.517 CV     1
  ASSI {  597}
    (( segid "    " and resid 40   and name HD3 ))
    (  segid "    " and resid 26   and name HD% )
       2.800     1.000     1.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.15381E-02 ppm1      3.851 ppm2      6.848 CV     1
  ASSI {  601}
    (  segid "    " and resid 15   and name HD% )
    (( segid "    " and resid 15   and name HN  ))
       3.100     1.200     1.200 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16382E-02 ppm1      6.717 ppm2      7.616 CV     1
  ASSI {  602}
    (  segid "    " and resid 13   and name HD% )
    (( segid "    " and resid 15   and name HN  ))
       4.300     2.300     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.33194E-03 ppm1      6.461 ppm2      7.616 CV     1
  ASSI {  603}
    (( segid "    " and resid 37   and name HB3 ))
    (  segid "    " and resid 32   and name HD% )
       4.200     2.200     1.800 peak   603 spectrum    1 weight  0.10000E+01 volume  0.73005E-03 ppm1      3.076 ppm2      6.517 CV     1
  ASSI {  604}
    (( segid "    " and resid 16   and name HB3 ))
    (  segid "    " and resid 16   and name HE% )
       4.800     2.800     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.51004E-03 ppm1      2.947 ppm2      6.519 CV     1
  ASSI {  605}
    (  segid "    " and resid 34   and name HD2%)
    (  segid "    " and resid 15   and name HD% )
       4.100     2.100     1.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.94673E-03 ppm1      0.692 ppm2      6.718 CV     1
  ASSI {  606}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 15   and name HD% )
       4.600     2.700     1.400 peak   606 spectrum    1 weight  0.10000E+01 volume  0.33607E-03 ppm1      0.572 ppm2      6.718 CV     1
  ASSI {  607}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 19   and name HN  ))
       2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.36143E-02 ppm1      1.765 ppm2      6.919 CV     1
  ASSI {  608}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       3.400     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.22061E-02 ppm1      1.586 ppm2      6.919 CV     1
  ASSI {  610}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HD1 ))
       3.500     1.500     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.84336E-03 ppm1      4.496 ppm2      6.766 CV     1
  ASSI {  611}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 14   and name HD1 ))
       4.700     2.800     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.48578E-03 ppm1      4.806 ppm2      6.766 CV     1
  ASSI {  612}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 13   and name HD% )
       4.100     2.100     1.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      4.806 ppm2      6.461 CV     1
  ASSI {  613}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.84251E-03 ppm1      7.546 ppm2      8.327 CV     1
  ASSI {  616}
    (( segid "    " and resid 16   and name HB3 ))
    (  segid "    " and resid 16   and name HD% )
       2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.38487E-02 ppm1      2.948 ppm2      6.738 CV     1
  ASSI {  617}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 16   and name HD% )
       2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.42347E-02 ppm1      2.428 ppm2      6.738 CV     1
  ASSI {  618}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 16   and name HD% )
       2.700     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.52327E-02 ppm1      3.956 ppm2      6.738 CV     1
  ASSI {  619}
    (  segid "    " and resid 16   and name HE% )
    (  segid "    " and resid 16   and name HD% )
       2.000     0.500     0.500 peak   619 spectrum    1 weight  0.10000E+01 volume  0.22350E-01 ppm1      6.526 ppm2      6.739 CV     1
  ASSI {  620}
    (  segid "    " and resid 34   and name HD2%)
    (  segid "    " and resid 15   and name HE% )
       2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      0.696 ppm2      6.882 CV     1
  ASSI {  621}
    (( segid "    " and resid 34   and name HB3 ))
    (  segid "    " and resid 15   and name HE% )
       2.900     1.100     1.100 peak   621 spectrum    1 weight  0.10000E+01 volume  0.24534E-02 ppm1      1.522 ppm2      6.882 CV     1
  OR {  621}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 15   and name HE% )
  ASSI {  622}
    (  segid "    " and resid 15   and name HD% )
    (  segid "    " and resid 15   and name HE% )
       2.100     0.500     0.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.16368E-01 ppm1      6.719 ppm2      6.883 CV     1
  ASSI {  623}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 15   and name HE% )
       4.300     2.300     1.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.60212E-03 ppm1      3.601 ppm2      6.882 CV     1
  ASSI {  625}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 26   and name HD% )
       3.900     1.900     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.59357E-03 ppm1      4.429 ppm2      6.850 CV     1
  ASSI {  626}
    (( segid "    " and resid 37   and name HB2 ))
    (  segid "    " and resid 32   and name HD% )
       3.000     1.100     1.100 peak   626 spectrum    1 weight  0.10000E+01 volume  0.16815E-02 ppm1      1.886 ppm2      6.517 CV     1
  ASSI {  632}
    (  segid "    " and resid 27   and name HG2%)
    (( segid "    " and resid 27   and name HA  ))
       3.800     1.800     1.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.59219E-03 ppm1      0.923 ppm2      4.310 CV     1
  ASSI {  633}
    (  segid "    " and resid 27   and name HG2%)
    (( segid "    " and resid 27   and name HB  ))
       3.400     1.500     1.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.81880E-03 ppm1      0.923 ppm2      4.241 CV     1
  ASSI {  634}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 37   and name HA  ))
       1.900     0.500     0.500 peak   634 spectrum    1 weight  0.10000E+01 volume  0.12296E-01 ppm1      4.497 ppm2      4.806 CV     1
  ASSI {  635}
    (( segid "    " and resid 11   and name HA2 ))
    (( segid "    " and resid 39   and name HA  ))
       3.300     1.400     1.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.33084E-03 ppm1      4.289 ppm2      4.437 CV     1
  ASSI {  636}
    (( segid "    " and resid 11   and name HA1 ))
    (( segid "    " and resid 39   and name HA  ))
       4.200     2.200     1.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.17782E-02 ppm1      3.164 ppm2      4.437 CV     1
  ASSI {  638}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       3.800     1.800     1.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.11477E-02 ppm1      1.775 ppm2      8.182 CV     1
  ASSI {  639}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       3.700     1.700     1.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.94098E-03 ppm1      1.284 ppm2      8.182 CV     1
  ASSI {  640}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.100     0.600     0.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.13881E-01 ppm1      4.054 ppm2      8.182 CV     1
  ASSI {  641}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.000     0.500     0.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.15453E-01 ppm1      4.344 ppm2      8.090 CV     1
  ASSI {  642}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.13376E-02 ppm1      4.370 ppm2      8.162 CV     1
  ASSI {  643}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      4.493 ppm2      8.401 CV     1
  ASSI {  644}
    (  segid "    " and resid 26   and name HE% )
    (  segid "    " and resid 26   and name HD% )
       2.300     0.700     0.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.77826E-02 ppm1      6.404 ppm2      6.850 CV     1
  ASSI {  645}
    (( segid "    " and resid 24   and name HD2 ))
    (  segid "    " and resid 26   and name HE% )
       3.900     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.81603E-03 ppm1      2.848 ppm2      6.405 CV     1
  ASSI {  646}
    (( segid "    " and resid 24   and name HD3 ))
    (  segid "    " and resid 26   and name HE% )
       3.900     1.900     1.900 peak   646 spectrum    1 weight  0.10000E+01 volume  0.68262E-03 ppm1      2.959 ppm2      6.405 CV     1
  ASSI {  648}
    (( segid "    " and resid 12   and name HB  ))
    (  segid "    " and resid 26   and name HE% )
       3.800     1.800     1.800 peak   648 spectrum    1 weight  0.10000E+01 volume  0.49873E-03 ppm1      1.674 ppm2      6.405 CV     1
  ASSI {  649}
    (( segid "    " and resid 21   and name HG2 ))
    (  segid "    " and resid 26   and name HE% )
       3.100     1.200     1.200 peak   649 spectrum    1 weight  0.10000E+01 volume  0.18135E-02 ppm1      0.441 ppm2      6.405 CV     1
  ASSI {  650}
    (  segid "    " and resid 33   and name HD% )
    (  segid "    " and resid 33   and name HE% )
       2.100     0.500     0.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.19974E-01 ppm1      6.489 ppm2      6.903 CV     1
  ASSI {  651}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 33   and name HE% )
       4.700     2.800     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.60046E-03 ppm1      2.742 ppm2      6.903 CV     1
  OR {  651}
    (( segid "    " and resid 33   and name HB3 ))
    (  segid "    " and resid 33   and name HE% )
  ASSI {  652}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       2.500     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.60764E-02 ppm1      4.239 ppm2      6.927 CV     1
  ASSI {  653}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 32   and name HE% )
       4.500     2.500     1.500 peak   653 spectrum    1 weight  0.10000E+01 volume  0.50921E-03 ppm1      4.175 ppm2      6.432 CV     1
  ASSI {  654}
    (  segid "    " and resid 32   and name HE% )
    (  segid "    " and resid 32   and name HD% )
       2.300     0.700     0.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.88440E-02 ppm1      6.432 ppm2      6.517 CV     1
  ASSI {  655}
    (( segid "    " and resid 37   and name HB3 ))
    (  segid "    " and resid 32   and name HE% )
       3.600     3.600     2.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.34048E-03 ppm1      3.076 ppm2      6.433 CV     1
  ASSI {  656}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 32   and name HD% )
       3.400     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.16340E-02 ppm1      2.742 ppm2      6.517 CV     1
  OR {  656}
    (( segid "    " and resid 33   and name HB3 ))
    (  segid "    " and resid 32   and name HD% )
  ASSI {  657}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 32   and name HE% )
       3.900     1.900     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.64320E-03 ppm1      2.741 ppm2      6.433 CV     1
  OR {  657}
    (( segid "    " and resid 33   and name HB3 ))
    (  segid "    " and resid 32   and name HE% )
  ASSI {  658}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 32   and name HE% )
       4.300     2.300     1.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.10286E-02 ppm1      2.522 ppm2      6.433 CV     1
  ASSI {  659}
    (( segid "    " and resid 32   and name HB2 ))
    (  segid "    " and resid 32   and name HE% )
       3.500     1.500     1.500 peak   659 spectrum    1 weight  0.10000E+01 volume  0.26566E-02 ppm1      2.397 ppm2      6.433 CV     1
  ASSI {  662}
    (  segid "    " and resid 33   and name HD% )
    (( segid "    " and resid 33   and name HN  ))
       3.300     1.400     1.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      6.495 ppm2      8.448 CV     1
  ASSI {  664}
    (( segid "    " and resid 17   and name HE  ))
    (( segid "    " and resid 14   and name HE3 ))
       2.400     0.700     0.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.65699E-02 ppm1      6.947 ppm2      7.476 CV     1
  ASSI {  665}
    (( segid "    " and resid 21   and name HD3 ))
    (  segid "    " and resid 26   and name HD% )
       3.700     1.700     1.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.22822E-02 ppm1      2.448 ppm2      6.847 CV     1
  ASSI {  666}
    (( segid "    " and resid 21   and name HD2 ))
    (  segid "    " and resid 26   and name HD% )
       4.100     2.100     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.48192E-03 ppm1      2.186 ppm2      6.847 CV     1
  ASSI {  669}
    (( segid "    " and resid 15   and name HB2 ))
    (  segid "    " and resid 16   and name HD% )
       3.700     1.700     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.20771E-02 ppm1      2.235 ppm2      6.739 CV     1
  ASSI {  670}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 16   and name HD% )
       3.000     1.100     1.100 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14177E-02 ppm1      2.544 ppm2      6.739 CV     1
  ASSI {  671}
    (( segid "    " and resid 34   and name HB3 ))
    (  segid "    " and resid 16   and name HD% )
       2.700     2.700     3.300 peak   671 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      1.524 ppm2      6.740 CV     1
  OR {  671}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 16   and name HD% )
  ASSI {  672}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 16   and name HD% )
       3.700     1.700     1.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      3.600 ppm2      6.739 CV     1
  ASSI {  673}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       4.400     2.500     1.600 peak   673 spectrum    1 weight  0.10000E+01 volume  0.31154E-03 ppm1      5.296 ppm2      9.198 CV     1
  ASSI {  674}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 37   and name HN  ))
       5.000     3.100     1.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.26329E-03 ppm1      6.527 ppm2      9.198 CV     1
  ASSI {  675}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 32   and name HN  ))
       4.900     3.000     1.100 peak   675 spectrum    1 weight  0.10000E+01 volume  0.29223E-03 ppm1      6.527 ppm2      7.978 CV     1
  ASSI {  676}
    (( segid "    " and resid 14   and name HD1 ))
    (( segid "    " and resid 37   and name HN  ))
       5.200     3.300     0.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.19894E-03 ppm1      6.772 ppm2      9.196 CV     1
  ASSI {  677}
    (  segid "    " and resid 13   and name HD% )
    (( segid "    " and resid 37   and name HN  ))
       5.600     3.900     0.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.10769E-03 ppm1      6.455 ppm2      9.196 CV     1
  ASSI {  678}
    (( segid "    " and resid 4    and name HB2 ))
    (  segid "    " and resid 32   and name HD% )
       3.400     1.500     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.88937E-03 ppm1      1.175 ppm2      6.516 CV     1
  ASSI {  680}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 12   and name HN  ))
       3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.96356E-03 ppm1      0.311 ppm2      8.522 CV     1
  ASSI {  681}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 10   and name HN  ))
       4.400     2.400     1.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.59606E-03 ppm1      0.311 ppm2      8.464 CV     1
  ASSI {  682}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 38   and name HN  ))
       4.100     2.100     1.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.28369E-03 ppm1      0.311 ppm2      8.404 CV     1
  ASSI {  683}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 29   and name HN  ))
       4.600     2.700     1.400 peak   683 spectrum    1 weight  0.10000E+01 volume  0.73474E-04 ppm1      0.309 ppm2      7.919 CV     1
  ASSI {  684}
    (  segid "    " and resid 39   and name HG2%)
    (( segid "    " and resid 9    and name HN  ))
       4.200     2.300     1.800 peak   684 spectrum    1 weight  0.10000E+01 volume  0.12106E-03 ppm1      0.312 ppm2      7.782 CV     1
  ASSI {  686}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       5.000     3.100     1.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.17570E-03 ppm1      1.563 ppm2      7.517 CV     1
  ASSI {  687}
    (( segid "    " and resid 24   and name HG3 ))
    (( segid "    " and resid 26   and name HN  ))
       5.000     3.100     1.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.19340E-03 ppm1      1.290 ppm2      7.539 CV     1
  ASSI {  691}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 14   and name HE3 ))
       5.000     3.100     1.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.21050E-03 ppm1      1.764 ppm2      7.472 CV     1
  ASSI {  692}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
       4.400     2.400     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.30244E-03 ppm1      2.298 ppm2      7.772 CV     1
  ASSI {  694}
    (( segid "    " and resid 24   and name HE  ))
    (( segid "    " and resid 14   and name HE1 ))
       2.900     2.900     3.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.36861E-02 ppm1      7.389 ppm2      9.317 CV     1
  ASSI {  697}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 17   and name HN  ))
       5.000     3.100     1.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.11858E-03 ppm1      3.246 ppm2      7.124 CV     1
  ASSI {  698}
    (( segid "    " and resid 21   and name HD3 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.900     3.100     1.100 peak   698 spectrum    1 weight  0.10000E+01 volume  0.21107E-03 ppm1      2.446 ppm2      9.318 CV     1
  ASSI {  699}
    (( segid "    " and resid 12   and name HG12))
    (( segid "    " and resid 14   and name HE1 ))
       5.800     4.100     0.200 peak   699 spectrum    1 weight  0.10000E+01 volume  0.10565E-03 ppm1      1.174 ppm2      9.316 CV     1
  OR {  699}
    (( segid "    " and resid 12   and name HG13))
    (( segid "    " and resid 14   and name HE1 ))


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1   1.791  -8.339  11.082
    2   2H    GLY   1           HT2      GLY   1   3.327  -7.680  11.331
    3   3H    GLY   1           HT3      GLY   1   3.058  -8.714  10.021
    4   1HA   GLY   1          HA1       GLY   1   1.862  -6.024  10.401
    5   2HA   GLY   1          HA2       GLY   1   3.177  -6.413   9.297
    6    H    THR   2           HN       THR   2   0.547  -5.293   8.687
    7    HA   THR   2           HA       THR   2  -0.947  -7.414   7.404
    8    HB   THR   2           HB       THR   2  -2.191  -5.342   6.430
    9    HG1  THR   2           HG1      THR   2  -1.772  -3.408   7.343
   10   1HG2  THR   2          HG21      THR   2  -2.605  -6.834   8.643
   11   2HG2  THR   2          HG22      THR   2  -3.644  -5.535   8.094
   12   3HG2  THR   2          HG23      THR   2  -2.442  -5.217   9.334
   13    H    ALA   3           HN       ALA   3   0.514  -8.343   6.033
   14    HA   ALA   3           HA       ALA   3   2.161  -6.941   4.247
   15   1HB   ALA   3          HB1       ALA   3   2.644  -9.104   3.262
   16   2HB   ALA   3          HB2       ALA   3   1.256  -9.812   4.095
   17   3HB   ALA   3          HB3       ALA   3   2.625  -9.201   5.022
   18    H    CYS   4           HN       CYS   4   1.994  -6.392   2.177
   19    HA   CYS   4           HA       CYS   4  -0.274  -7.293   0.569
   20   1HB   CYS   4          HB2       CYS   4  -1.025  -5.170   1.545
   21   2HB   CYS   4          HB1       CYS   4   0.433  -4.376   0.964
   22    H    SER   5           HN       SER   5   0.187  -7.261  -1.645
   23    HA   SER   5           HA       SER   5   2.947  -6.530  -2.367
   24   1HB   SER   5          HB2       SER   5   2.932  -8.655  -3.786
   25   2HB   SER   5          HB1       SER   5   3.082  -8.858  -2.042
   26    HG   SER   5           HG       SER   5   1.509 -10.243  -3.141
   27    H    CYS   6           HN       CYS   6   3.156  -5.501  -4.249
   28    HA   CYS   6           HA       CYS   6   0.873  -5.505  -6.133
   29   1HB   CYS   6          HB2       CYS   6   2.658  -3.164  -5.418
   30   2HB   CYS   6          HB1       CYS   6   1.438  -3.172  -6.689
   31    H    GLY   7           HN       GLY   7   1.793  -7.090  -7.416
   32   1HA   GLY   7          HA2       GLY   7   3.030  -7.815  -9.196
   33   2HA   GLY   7          HA1       GLY   7   3.742  -6.211  -9.314
   34    H    ASN   8           HN       ASN   8   5.618  -5.740  -8.092
   35    HA   ASN   8           HA       ASN   8   7.023  -8.115  -7.007
   36   1HB   ASN   8          HB2       ASN   8   7.949  -7.209  -9.168
   37   2HB   ASN   8          HB1       ASN   8   8.305  -5.706  -8.327
   38   1HD2  ASN   8          HD21      ASN   8   9.137  -9.065  -8.693
   39   2HD2  ASN   8          HD22      ASN   8  10.629  -8.980  -7.828
   40    H    SER   9           HN       SER   9   5.832  -4.953  -6.429
   41    HA   SER   9           HA       SER   9   7.663  -4.282  -4.331
   42   1HB   SER   9          HB2       SER   9   4.984  -3.054  -5.049
   43   2HB   SER   9          HB1       SER   9   6.214  -2.344  -4.005
   44    HG   SER   9           HG       SER   9   6.183  -1.636  -6.275
   45    H    LYS  10           HN       LYS  10   7.452  -4.659  -2.188
   46    HA   LYS  10           HA       LYS  10   5.013  -6.050  -1.238
   47   1HB   LYS  10          HB2       LYS  10   7.875  -6.451  -0.337
   48   2HB   LYS  10          HB1       LYS  10   6.460  -7.288   0.299
   49   1HG   LYS  10          HG2       LYS  10   6.102  -8.379  -1.824
   50   2HG   LYS  10          HG1       LYS  10   7.444  -7.479  -2.543
   51   1HD   LYS  10          HD2       LYS  10   8.999  -8.531  -0.980
   52   2HD   LYS  10          HD1       LYS  10   7.666  -9.413  -0.230
   53   1HE   LYS  10          HE2       LYS  10   7.245 -10.565  -2.349
   54   2HE   LYS  10          HE1       LYS  10   8.582  -9.683  -3.092
   55   1HZ   LYS  10          HZ1       LYS  10   9.255 -11.890  -2.397
   56   2HZ   LYS  10          HZ2       LYS  10   8.811 -11.563  -0.799
   57   3HZ   LYS  10          HZ3       LYS  10  10.095 -10.717  -1.513
   58    H    GLY  11           HN       GLY  11   4.020  -5.154   0.510
   59   1HA   GLY  11          HA2       GLY  11   5.521  -3.519   2.393
   60   2HA   GLY  11          HA1       GLY  11   4.436  -2.639   1.343
   61    H    ILE  12           HN       ILE  12   3.247  -1.889   3.045
   62    HA   ILE  12           HA       ILE  12   1.636  -3.894   4.495
   63    HB   ILE  12           HB       ILE  12   2.639  -1.213   5.480
   64   1HG1  ILE  12          HG12      ILE  12   4.470  -2.825   5.307
   65   2HG1  ILE  12          HG11      ILE  12   4.086  -2.505   6.992
   66   1HG2  ILE  12          HG21      ILE  12   1.057  -3.376   6.856
   67   2HG2  ILE  12          HG22      ILE  12   0.544  -1.723   6.521
   68   3HG2  ILE  12          HG23      ILE  12   1.821  -2.026   7.691
   69   1HD1  ILE  12          HD11      ILE  12   3.292  -4.941   5.410
   70   2HD1  ILE  12          HD12      ILE  12   2.828  -4.621   7.079
   71   3HD1  ILE  12          HD13      ILE  12   4.522  -4.843   6.662
   72    H    TYR  13           HN       TYR  13  -0.577  -3.562   4.583
   73    HA   TYR  13           HA       TYR  13  -1.530  -1.118   3.252
   74   1HB   TYR  13          HB2       TYR  13  -3.436  -2.228   2.505
   75   2HB   TYR  13          HB1       TYR  13  -2.124  -3.358   2.227
   76    HD1  TYR  13           HD1      TYR  13  -5.214  -2.725   4.035
   77    HD2  TYR  13           HD2      TYR  13  -1.908  -5.387   3.652
   78    HE1  TYR  13           HE1      TYR  13  -6.445  -4.448   5.260
   79    HE2  TYR  13           HE2      TYR  13  -3.158  -7.118   4.867
   80    HH   TYR  13           HH       TYR  13  -6.059  -7.411   5.168
   81    H    TRP  14           HN       TRP  14  -3.024   0.172   4.180
   82    HA   TRP  14           HA       TRP  14  -3.330  -0.163   7.089
   83   1HB   TRP  14          HB2       TRP  14  -3.490   2.304   5.327
   84   2HB   TRP  14          HB1       TRP  14  -3.717   2.269   7.072
   85    HD1  TRP  14           HD1      TRP  14  -0.867   1.003   4.726
   86    HE1  TRP  14           HE1      TRP  14   1.369   1.716   5.775
   87    HE3  TRP  14           HE3      TRP  14  -2.630   3.420   8.874
   88    HZ2  TRP  14           HZ2      TRP  14   2.267   3.131   8.040
   89    HZ3  TRP  14           HZ3      TRP  14  -1.019   4.430  10.425
   90    HH2  TRP  14           HH2      TRP  14   1.381   4.288  10.016
   91    H    PHE  15           HN       PHE  15  -5.305  -0.165   8.046
   92    HA   PHE  15           HA       PHE  15  -7.541  -0.807   6.370
   93   1HB   PHE  15          HB2       PHE  15  -7.331  -0.495   9.364
   94   2HB   PHE  15          HB1       PHE  15  -8.768  -1.071   8.529
   95    HD1  PHE  15           HD1      PHE  15  -5.497  -1.939   9.789
   96    HD2  PHE  15           HD2      PHE  15  -8.698  -3.221   7.299
   97    HE1  PHE  15           HE1      PHE  15  -4.644  -4.239   9.882
   98    HE2  PHE  15           HE2      PHE  15  -7.844  -5.528   7.382
   99    HZ   PHE  15           HZ       PHE  15  -5.817  -6.039   8.681
  100    H    TYR  16           HN       TYR  16  -8.555   0.792   5.316
  101    HA   TYR  16           HA       TYR  16  -9.768   2.642   4.886
  102   1HB   TYR  16          HB2       TYR  16 -10.387   2.306   7.826
  103   2HB   TYR  16          HB1       TYR  16 -11.195   3.494   6.817
  104    HD1  TYR  16           HD1      TYR  16 -12.873   2.854   5.229
  105    HD2  TYR  16           HD2      TYR  16 -10.776  -0.118   7.448
  106    HE1  TYR  16           HE1      TYR  16 -14.524   1.175   4.533
  107    HE2  TYR  16           HE2      TYR  16 -12.425  -1.803   6.754
  108    HH   TYR  16           HH       TYR  16 -15.211  -1.395   5.857
  109    H    ARG  17           HN       ARG  17  -6.903   2.948   6.035
  110    HA   ARG  17           HA       ARG  17  -7.030   5.616   7.157
  111   1HB   ARG  17          HB2       ARG  17  -4.770   3.741   6.678
  112   2HB   ARG  17          HB1       ARG  17  -4.535   5.347   7.313
  113   1HG   ARG  17          HG2       ARG  17  -6.325   3.326   8.638
  114   2HG   ARG  17          HG1       ARG  17  -4.617   3.453   8.997
  115   1HD   ARG  17          HD2       ARG  17  -6.567   5.725   9.225
  116   2HD   ARG  17          HD1       ARG  17  -6.113   4.687  10.559
  117    HE   ARG  17           HE       ARG  17  -3.752   5.445  10.121
  118   1HH1  ARG  17          HH11      ARG  17  -6.527   7.506   9.435
  119   2HH1  ARG  17          HH12      ARG  17  -5.617   8.952   9.598
  120   1HH2  ARG  17          HH21      ARG  17  -2.586   7.386  10.334
  121   2HH2  ARG  17          HH22      ARG  17  -3.394   8.902  10.109
  122    HA   PRO  18           HA       PRO  18  -6.392   7.046   2.887
  123   1HB   PRO  18          HB2       PRO  18  -7.215   9.669   3.807
  124   2HB   PRO  18          HB1       PRO  18  -8.084   8.535   2.775
  125   1HG   PRO  18          HG2       PRO  18  -8.851   9.213   5.317
  126   2HG   PRO  18          HG1       PRO  18  -9.304   7.706   4.502
  127   1HD   PRO  18          HD2       PRO  18  -7.159   8.200   6.532
  128   2HD   PRO  18          HD1       PRO  18  -8.283   6.848   6.371
  129    H    SER  19           HN       SER  19  -4.715   7.478   5.680
  130    HA   SER  19           HA       SER  19  -2.945   9.556   4.611
  131   1HB   SER  19          HB2       SER  19  -3.290   8.622   7.475
  132   2HB   SER  19          HB1       SER  19  -2.326   9.988   6.908
  133    HG   SER  19           HG       SER  19  -4.277  10.784   7.623
  134    H    CYS  20           HN       CYS  20  -1.655   8.217   3.340
  135    HA   CYS  20           HA       CYS  20  -0.284   5.991   4.665
  136   1HB   CYS  20          HB2       CYS  20  -1.229   5.508   2.502
  137   2HB   CYS  20          HB1       CYS  20  -0.317   6.822   1.778
  138    HA   PRO  21           HA       PRO  21   3.031   9.016   5.298
  139   1HB   PRO  21          HB2       PRO  21   4.403   6.848   6.727
  140   2HB   PRO  21          HB1       PRO  21   3.768   8.374   7.331
  141   1HG   PRO  21          HG2       PRO  21   2.675   5.964   7.925
  142   2HG   PRO  21          HG1       PRO  21   1.745   7.472   7.874
  143   1HD   PRO  21          HD2       PRO  21   1.936   5.289   5.839
  144   2HD   PRO  21          HD1       PRO  21   0.537   6.233   6.381
  145    H    THR  22           HN       THR  22   3.915   9.176   3.268
  146    HA   THR  22           HA       THR  22   5.041   6.950   1.894
  147    HB   THR  22           HB       THR  22   3.927   8.841   0.729
  148    HG1  THR  22           HG1      THR  22   5.270   8.733  -0.989
  149   1HG2  THR  22          HG21      THR  22   4.973  10.963   0.472
  150   2HG2  THR  22          HG22      THR  22   6.411  10.437   1.337
  151   3HG2  THR  22          HG23      THR  22   4.889  10.641   2.200
  152    H    ASP  23           HN       ASP  23   6.257   8.767   4.348
  153    HA   ASP  23           HA       ASP  23   8.956   9.123   3.512
  154   1HB   ASP  23          HB2       ASP  23   9.319   9.696   5.926
  155   2HB   ASP  23          HB1       ASP  23   8.032  10.619   5.156
  156    H    ARG  24           HN       ARG  24   7.266   6.371   4.251
  157    HA   ARG  24           HA       ARG  24   9.484   5.018   5.583
  158   1HB   ARG  24          HB2       ARG  24   6.753   4.012   4.777
  159   2HB   ARG  24          HB1       ARG  24   7.952   3.119   5.709
  160   1HG   ARG  24          HG2       ARG  24   7.807   4.811   7.479
  161   2HG   ARG  24          HG1       ARG  24   6.570   5.658   6.547
  162   1HD   ARG  24          HD2       ARG  24   5.215   3.557   6.615
  163   2HD   ARG  24          HD1       ARG  24   6.419   2.903   7.732
  164    HE   ARG  24           HE       ARG  24   5.280   5.457   8.486
  165   1HH1  ARG  24          HH11      ARG  24   4.977   1.962   8.765
  166   2HH1  ARG  24          HH12      ARG  24   4.027   2.062  10.196
  167   1HH2  ARG  24          HH21      ARG  24   4.038   5.557  10.362
  168   2HH2  ARG  24          HH22      ARG  24   3.483   4.095  11.108
  169    H    GLY  25           HN       GLY  25   9.389   6.078   2.696
  170   1HA   GLY  25          HA2       GLY  25  10.429   5.472   0.800
  171   2HA   GLY  25          HA1       GLY  25  10.910   3.983   1.593
  172    H    TYR  26           HN       TYR  26   7.535   4.977   1.220
  173    HA   TYR  26           HA       TYR  26   6.902   2.497  -0.038
  174   1HB   TYR  26          HB2       TYR  26   5.273   4.993   0.432
  175   2HB   TYR  26          HB1       TYR  26   4.607   3.542  -0.312
  176    HD1  TYR  26           HD1      TYR  26   5.750   1.399   1.270
  177    HD2  TYR  26           HD2      TYR  26   4.256   5.148   2.527
  178    HE1  TYR  26           HE1      TYR  26   5.243   0.432   3.469
  179    HE2  TYR  26           HE2      TYR  26   3.751   4.216   4.741
  180    HH   TYR  26           HH       TYR  26   5.005   1.522   5.938
  181    H    THR  27           HN       THR  27   6.761   1.971  -2.104
  182    HA   THR  27           HA       THR  27   7.597   3.978  -4.057
  183    HB   THR  27           HB       THR  27   7.306   0.971  -4.403
  184    HG1  THR  27           HG1      THR  27   9.615   2.512  -3.677
  185   1HG2  THR  27          HG21      THR  27   8.948   1.348  -6.224
  186   2HG2  THR  27          HG22      THR  27   8.769   3.086  -5.993
  187   3HG2  THR  27          HG23      THR  27   7.392   2.117  -6.524
  188    H    GLY  28           HN       GLY  28   5.003   1.585  -3.562
  189   1HA   GLY  28          HA2       GLY  28   3.415   3.041  -5.606
  190   2HA   GLY  28          HA1       GLY  28   3.437   1.292  -5.464
  191    H    SER  29           HN       SER  29   1.083   2.612  -5.415
  192    HA   SER  29           HA       SER  29   0.174   2.016  -2.698
  193   1HB   SER  29          HB2       SER  29  -0.578   4.531  -4.195
  194   2HB   SER  29          HB1       SER  29  -1.252   4.009  -2.648
  195    HG   SER  29           HG       SER  29   0.497   5.546  -2.479
  196    H    CYS  30           HN       CYS  30  -1.247   0.432  -2.942
  197    HA   CYS  30           HA       CYS  30  -2.950   0.374  -5.367
  198   1HB   CYS  30          HB2       CYS  30  -2.062  -1.977  -3.680
  199   2HB   CYS  30          HB1       CYS  30  -2.876  -2.016  -5.237
  200    H    ARG  31           HN       ARG  31  -5.073  -0.626  -5.074
  201    HA   ARG  31           HA       ARG  31  -6.221   0.082  -2.476
  202   1HB   ARG  31          HB2       ARG  31  -7.487   0.900  -4.334
  203   2HB   ARG  31          HB1       ARG  31  -7.499  -0.683  -5.099
  204   1HG   ARG  31          HG2       ARG  31  -9.646  -0.204  -4.108
  205   2HG   ARG  31          HG1       ARG  31  -8.898  -1.560  -3.278
  206   1HD   ARG  31          HD2       ARG  31  -8.028   0.409  -1.680
  207   2HD   ARG  31          HD1       ARG  31  -9.428   1.203  -2.363
  208    HE   ARG  31           HE       ARG  31  -9.581  -1.423  -1.006
  209   1HH1  ARG  31          HH11      ARG  31 -10.780   1.856  -1.437
  210   2HH1  ARG  31          HH12      ARG  31 -12.014   1.669  -0.259
  211   1HH2  ARG  31          HH21      ARG  31 -11.236  -1.636   0.557
  212   2HH2  ARG  31          HH22      ARG  31 -12.286  -0.296   0.876
  213    H    TYR  32           HN       TYR  32  -6.051  -1.441  -0.988
  214    HA   TYR  32           HA       TYR  32  -6.264  -4.277  -1.741
  215   1HB   TYR  32          HB2       TYR  32  -4.465  -3.319  -0.159
  216   2HB   TYR  32          HB1       TYR  32  -5.736  -3.178   1.033
  217    HD1  TYR  32           HD1      TYR  32  -6.833  -5.260   1.890
  218    HD2  TYR  32           HD2      TYR  32  -3.518  -5.425  -0.723
  219    HE1  TYR  32           HE1      TYR  32  -6.469  -7.602   2.523
  220    HE2  TYR  32           HE2      TYR  32  -3.102  -7.756  -0.089
  221    HH   TYR  32           HH       TYR  32  -5.080  -9.708   1.072
  222    H    PHE  33           HN       PHE  33  -7.850  -5.593  -0.730
  223    HA   PHE  33           HA       PHE  33 -10.411  -4.713  -0.787
  224   1HB   PHE  33          HB2       PHE  33  -9.335  -6.869   1.032
  225   2HB   PHE  33          HB1       PHE  33 -11.033  -6.676   0.608
  226    HD1  PHE  33           HD1      PHE  33  -7.950  -8.214  -0.258
  227    HD2  PHE  33           HD2      PHE  33 -11.609  -6.774  -1.908
  228    HE1  PHE  33           HE1      PHE  33  -7.604  -9.612  -2.249
  229    HE2  PHE  33           HE2      PHE  33 -11.264  -8.174  -3.897
  230    HZ   PHE  33           HZ       PHE  33  -9.258  -9.594  -4.072
  231    H    LEU  34           HN       LEU  34  -8.449  -4.882   2.184
  232    HA   LEU  34           HA       LEU  34 -10.595  -3.607   3.666
  233   1HB   LEU  34          HB2       LEU  34  -8.014  -4.818   4.581
  234   2HB   LEU  34          HB1       LEU  34  -9.196  -4.126   5.644
  235    HG   LEU  34           HG       LEU  34  -9.551  -6.407   5.818
  236   1HD1  LEU  34          HD11      LEU  34 -11.737  -6.792   4.958
  237   2HD1  LEU  34          HD12      LEU  34 -11.529  -5.576   3.702
  238   3HD1  LEU  34          HD13      LEU  34 -11.615  -5.091   5.397
  239   1HD2  LEU  34          HD21      LEU  34  -8.141  -6.903   3.737
  240   2HD2  LEU  34          HD22      LEU  34  -9.658  -6.796   2.862
  241   3HD2  LEU  34          HD23      LEU  34  -9.468  -7.995   4.121
  242    H    GLY  35           HN       GLY  35  -8.166  -2.275   1.874
  243   1HA   GLY  35          HA2       GLY  35  -8.525   0.247   2.744
  244   2HA   GLY  35          HA1       GLY  35  -7.312  -0.341   3.850
  245    H    THR  36           HN       THR  36  -5.932   1.285   3.109
  246    HA   THR  36           HA       THR  36  -5.195   1.383   0.317
  247    HB   THR  36           HB       THR  36  -3.902   2.922   2.597
  248    HG1  THR  36           HG1      THR  36  -6.301   3.567   1.160
  249   1HG2  THR  36          HG21      THR  36  -2.785   3.083   0.429
  250   2HG2  THR  36          HG22      THR  36  -3.564   4.607   0.851
  251   3HG2  THR  36          HG23      THR  36  -4.310   3.538  -0.336
  252    H    CYS  37           HN       CYS  37  -3.672   0.124  -0.531
  253    HA   CYS  37           HA       CYS  37  -1.765  -1.245   1.182
  254   1HB   CYS  37          HB2       CYS  37  -2.848  -2.598  -0.423
  255   2HB   CYS  37          HB1       CYS  37  -2.469  -1.502  -1.716
  256    H    CYS  38           HN       CYS  38   0.006  -0.144   1.724
  257    HA   CYS  38           HA       CYS  38   1.268   1.624  -0.277
  258   1HB   CYS  38          HB2       CYS  38   1.754   1.397   2.701
  259   2HB   CYS  38          HB1       CYS  38   2.476   2.568   1.606
  260    H    THR  39           HN       THR  39   2.672   0.499  -1.505
  261    HA   THR  39           HA       THR  39   4.222  -1.631  -0.216
  262    HB   THR  39           HB       THR  39   4.492  -2.354  -2.717
  263    HG1  THR  39           HG1      THR  39   1.999  -0.981  -2.893
  264   1HG2  THR  39          HG21      THR  39   2.146  -2.717  -0.911
  265   2HG2  THR  39          HG22      THR  39   3.415  -3.847  -1.346
  266   3HG2  THR  39          HG23      THR  39   2.171  -3.453  -2.502
  267    HA   PRO  40           HA       PRO  40   7.959   0.406  -1.673
  268   1HB   PRO  40          HB2       PRO  40   9.504  -0.177   0.450
  269   2HB   PRO  40          HB1       PRO  40   8.346   1.123   0.478
  270   1HG   PRO  40          HG2       PRO  40   8.161  -1.499   1.796
  271   2HG   PRO  40          HG1       PRO  40   7.472   0.061   2.263
  272   1HD   PRO  40          HD2       PRO  40   6.229  -2.057   0.868
  273   2HD   PRO  40          HD1       PRO  40   5.493  -0.542   1.303
  274    H    ALA  41           HN       ALA  41   9.521  -1.957   0.222
  275    HA   ALA  41           HA       ALA  41   9.175  -4.198  -1.483
  276   1HB   ALA  41          HB1       ALA  41  11.835  -2.778  -1.565
  277   2HB   ALA  41          HB2       ALA  41  10.679  -2.875  -2.892
  278   3HB   ALA  41          HB3       ALA  41  11.463  -4.339  -2.301
  279    H    ASP  42           HN       ASP  42   8.589  -4.215   1.035
  280    HA   ASP  42           HA       ASP  42  10.950  -4.975   2.608
  281   1HB   ASP  42          HB2       ASP  42   9.328  -3.349   3.545
  282   2HB   ASP  42          HB1       ASP  42   8.082  -4.592   3.505
  Start of MODEL    2
    1   1H    GLY   1           HT1      GLY   1   1.565  -9.862  10.634
    2   2H    GLY   1           HT2      GLY   1   2.893  -9.085  11.335
    3   3H    GLY   1           HT3      GLY   1   2.875  -9.382   9.671
    4   1HA   GLY   1          HA1       GLY   1   1.050  -7.555  11.138
    5   2HA   GLY   1          HA2       GLY   1   2.410  -7.057  10.140
    6    H    THR   2           HN       THR   2   0.419  -5.852   9.211
    7    HA   THR   2           HA       THR   2  -1.265  -7.480   7.495
    8    HB   THR   2           HB       THR   2  -2.147  -5.167   6.786
    9    HG1  THR   2           HG1      THR   2  -0.776  -4.218   9.074
   10   1HG2  THR   2          HG21      THR   2  -3.298  -6.577   8.408
   11   2HG2  THR   2          HG22      THR   2  -3.412  -4.870   8.834
   12   3HG2  THR   2          HG23      THR   2  -2.283  -5.918   9.693
   13    H    ALA   3           HN       ALA   3   0.866  -8.255   6.515
   14    HA   ALA   3           HA       ALA   3   2.279  -6.584   4.729
   15   1HB   ALA   3          HB1       ALA   3   3.293  -8.634   3.909
   16   2HB   ALA   3          HB2       ALA   3   2.072  -9.591   4.752
   17   3HB   ALA   3          HB3       ALA   3   3.225  -8.625   5.671
   18    H    CYS   4           HN       CYS   4   2.173  -6.371   2.531
   19    HA   CYS   4           HA       CYS   4   0.100  -7.715   0.997
   20   1HB   CYS   4          HB2       CYS   4  -1.180  -5.898   1.902
   21   2HB   CYS   4          HB1       CYS   4   0.088  -4.740   1.533
   22    H    SER   5           HN       SER   5   0.476  -7.590  -1.251
   23    HA   SER   5           HA       SER   5   2.913  -6.170  -2.068
   24   1HB   SER   5          HB2       SER   5   3.523  -8.381  -3.318
   25   2HB   SER   5          HB1       SER   5   3.894  -8.202  -1.605
   26    HG   SER   5           HG       SER   5   2.911 -10.179  -1.917
   27    H    CYS   6           HN       CYS   6   2.752  -5.198  -3.922
   28    HA   CYS   6           HA       CYS   6   0.605  -5.935  -5.814
   29   1HB   CYS   6          HB2       CYS   6   2.167  -3.341  -5.609
   30   2HB   CYS   6          HB1       CYS   6   0.834  -3.683  -6.709
   31    H    GLY   7           HN       GLY   7   1.841  -7.660  -6.714
   32   1HA   GLY   7          HA2       GLY   7   3.239  -8.570  -8.261
   33   2HA   GLY   7          HA1       GLY   7   3.440  -6.955  -8.923
   34    H    ASN   8           HN       ASN   8   5.337  -5.919  -8.609
   35    HA   ASN   8           HA       ASN   8   7.482  -7.398  -7.300
   36   1HB   ASN   8          HB2       ASN   8   7.542  -4.741  -8.754
   37   2HB   ASN   8          HB1       ASN   8   8.951  -5.635  -8.189
   38   1HD2  ASN   8          HD21      ASN   8   8.384  -4.796 -10.864
   39   2HD2  ASN   8          HD22      ASN   8   8.279  -6.235 -11.814
   40    H    SER   9           HN       SER   9   5.485  -4.576  -6.730
   41    HA   SER   9           HA       SER   9   7.198  -3.507  -4.682
   42   1HB   SER   9          HB2       SER   9   4.317  -2.812  -5.322
   43   2HB   SER   9          HB1       SER   9   5.469  -1.837  -4.405
   44    HG   SER   9           HG       SER   9   6.594  -1.426  -6.247
   45    H    LYS  10           HN       LYS  10   7.289  -4.243  -2.639
   46    HA   LYS  10           HA       LYS  10   4.956  -5.720  -1.559
   47   1HB   LYS  10          HB2       LYS  10   7.895  -6.243  -1.081
   48   2HB   LYS  10          HB1       LYS  10   6.557  -7.132  -0.356
   49   1HG   LYS  10          HG2       LYS  10   5.889  -7.985  -2.500
   50   2HG   LYS  10          HG1       LYS  10   7.101  -6.995  -3.318
   51   1HD   LYS  10          HD2       LYS  10   8.881  -8.225  -2.156
   52   2HD   LYS  10          HD1       LYS  10   7.664  -9.221  -1.352
   53   1HE   LYS  10          HE2       LYS  10   6.931 -10.108  -3.471
   54   2HE   LYS  10          HE1       LYS  10   8.018  -9.029  -4.344
   55   1HZ   LYS  10          HZ1       LYS  10   8.923 -11.251  -4.188
   56   2HZ   LYS  10          HZ2       LYS  10   8.854 -11.205  -2.500
   57   3HZ   LYS  10          HZ3       LYS  10   9.898 -10.165  -3.334
   58    H    GLY  11           HN       GLY  11   4.221  -5.116   0.418
   59   1HA   GLY  11          HA2       GLY  11   5.840  -3.755   2.352
   60   2HA   GLY  11          HA1       GLY  11   4.813  -2.657   1.471
   61    H    ILE  12           HN       ILE  12   3.389  -2.032   2.971
   62    HA   ILE  12           HA       ILE  12   1.849  -4.138   4.386
   63    HB   ILE  12           HB       ILE  12   2.692  -1.429   5.463
   64   1HG1  ILE  12          HG12      ILE  12   4.650  -2.878   5.237
   65   2HG1  ILE  12          HG11      ILE  12   4.238  -2.649   6.928
   66   1HG2  ILE  12          HG21      ILE  12   1.922  -2.346   7.627
   67   2HG2  ILE  12          HG22      ILE  12   1.310  -3.762   6.777
   68   3HG2  ILE  12          HG23      ILE  12   0.627  -2.172   6.449
   69   1HD1  ILE  12          HD11      ILE  12   3.180  -4.864   6.955
   70   2HD1  ILE  12          HD12      ILE  12   4.880  -4.931   6.507
   71   3HD1  ILE  12          HD13      ILE  12   3.643  -5.084   5.275
   72    H    TYR  13           HN       TYR  13  -0.390  -3.828   4.516
   73    HA   TYR  13           HA       TYR  13  -1.371  -1.439   3.103
   74   1HB   TYR  13          HB2       TYR  13  -3.215  -2.566   2.361
   75   2HB   TYR  13          HB1       TYR  13  -2.003  -3.823   2.317
   76    HD1  TYR  13           HD1      TYR  13  -2.016  -5.615   4.082
   77    HD2  TYR  13           HD2      TYR  13  -5.148  -2.737   3.744
   78    HE1  TYR  13           HE1      TYR  13  -3.496  -7.065   5.404
   79    HE2  TYR  13           HE2      TYR  13  -6.583  -4.171   5.087
   80    HH   TYR  13           HH       TYR  13  -5.835  -6.375   6.980
   81    H    TRP  14           HN       TRP  14  -2.749  -0.057   3.996
   82    HA   TRP  14           HA       TRP  14  -3.134  -0.261   6.909
   83   1HB   TRP  14          HB2       TRP  14  -3.155   2.125   5.037
   84   2HB   TRP  14          HB1       TRP  14  -3.414   2.201   6.777
   85    HD1  TRP  14           HD1      TRP  14  -0.591   0.574   4.614
   86    HE1  TRP  14           HE1      TRP  14   1.664   1.300   5.598
   87    HE3  TRP  14           HE3      TRP  14  -2.286   3.565   8.397
   88    HZ2  TRP  14           HZ2      TRP  14   2.609   2.938   7.694
   89    HZ3  TRP  14           HZ3      TRP  14  -0.637   4.684   9.839
   90    HH2  TRP  14           HH2      TRP  14   1.759   4.374   9.492
   91    H    PHE  15           HN       PHE  15  -5.181   0.195   7.796
   92    HA   PHE  15           HA       PHE  15  -7.317  -0.683   6.112
   93   1HB   PHE  15          HB2       PHE  15  -7.266   0.133   9.006
   94   2HB   PHE  15          HB1       PHE  15  -8.708  -0.468   8.192
   95    HD1  PHE  15           HD1      PHE  15  -8.632  -2.766   7.154
   96    HD2  PHE  15           HD2      PHE  15  -5.688  -1.378   9.890
   97    HE1  PHE  15           HE1      PHE  15  -7.961  -5.092   7.597
   98    HE2  PHE  15           HE2      PHE  15  -5.012  -3.697  10.343
   99    HZ   PHE  15           HZ       PHE  15  -6.148  -5.559   9.198
  100    H    TYR  16           HN       TYR  16  -7.839   0.806   4.642
  101    HA   TYR  16           HA       TYR  16  -8.754   2.574   3.620
  102   1HB   TYR  16          HB2       TYR  16 -10.269   2.733   6.233
  103   2HB   TYR  16          HB1       TYR  16 -10.756   3.482   4.715
  104    HD1  TYR  16           HD1      TYR  16 -11.125   0.621   6.740
  105    HD2  TYR  16           HD2      TYR  16 -10.966   1.839   2.659
  106    HE1  TYR  16           HE1      TYR  16 -12.278  -1.444   6.082
  107    HE2  TYR  16           HE2      TYR  16 -12.123  -0.223   2.008
  108    HH   TYR  16           HH       TYR  16 -13.861  -1.953   3.568
  109    H    ARG  17           HN       ARG  17  -6.670   3.662   3.686
  110    HA   ARG  17           HA       ARG  17  -6.729   6.014   5.432
  111   1HB   ARG  17          HB2       ARG  17  -4.419   4.427   4.371
  112   2HB   ARG  17          HB1       ARG  17  -4.201   6.077   4.944
  113   1HG   ARG  17          HG2       ARG  17  -5.332   3.811   6.585
  114   2HG   ARG  17          HG1       ARG  17  -3.666   4.394   6.648
  115   1HD   ARG  17          HD2       ARG  17  -4.349   6.516   7.427
  116   2HD   ARG  17          HD1       ARG  17  -6.052   6.171   7.177
  117    HE   ARG  17           HE       ARG  17  -5.301   4.261   8.940
  118   1HH1  ARG  17          HH11      ARG  17  -4.937   7.754   8.883
  119   2HH1  ARG  17          HH12      ARG  17  -5.140   7.911  10.584
  120   1HH2  ARG  17          HH21      ARG  17  -5.593   4.506  11.200
  121   2HH2  ARG  17          HH22      ARG  17  -5.514   6.088  11.904
  122    HA   PRO  18           HA       PRO  18  -7.319   8.050   1.486
  123   1HB   PRO  18          HB2       PRO  18  -7.959  10.476   2.494
  124   2HB   PRO  18          HB1       PRO  18  -9.075   9.108   2.543
  125   1HG   PRO  18          HG2       PRO  18  -7.300  10.164   4.706
  126   2HG   PRO  18          HG1       PRO  18  -8.997   9.655   4.796
  127   1HD   PRO  18          HD2       PRO  18  -6.910   8.085   5.564
  128   2HD   PRO  18          HD1       PRO  18  -8.448   7.434   4.962
  129    H    SER  19           HN       SER  19  -4.740   8.056   3.437
  130    HA   SER  19           HA       SER  19  -3.197   9.706   1.675
  131   1HB   SER  19          HB2       SER  19  -3.329  10.303   4.645
  132   2HB   SER  19          HB1       SER  19  -2.152  10.992   3.524
  133    HG   SER  19           HG       SER  19  -3.752  12.116   2.525
  134    H    CYS  20           HN       CYS  20  -1.718   8.246   1.112
  135    HA   CYS  20           HA       CYS  20  -0.774   6.287   3.032
  136   1HB   CYS  20          HB2       CYS  20  -1.201   5.522   0.779
  137   2HB   CYS  20          HB1       CYS  20  -0.069   6.701   0.132
  138    HA   PRO  21           HA       PRO  21   2.588   9.071   4.158
  139   1HB   PRO  21          HB2       PRO  21   3.853   7.332   5.831
  140   2HB   PRO  21          HB1       PRO  21   2.432   8.243   6.277
  141   1HG   PRO  21          HG2       PRO  21   2.617   5.409   5.428
  142   2HG   PRO  21          HG1       PRO  21   1.633   6.125   6.685
  143   1HD   PRO  21          HD2       PRO  21   0.671   5.452   4.245
  144   2HD   PRO  21          HD1       PRO  21   0.011   6.786   5.213
  145    H    THR  22           HN       THR  22   3.198   8.726   1.826
  146    HA   THR  22           HA       THR  22   4.922   6.582   1.133
  147    HB   THR  22           HB       THR  22   3.429   7.622  -0.520
  148    HG1  THR  22           HG1      THR  22   6.150   8.053  -1.299
  149   1HG2  THR  22          HG21      THR  22   3.909   9.814  -1.442
  150   2HG2  THR  22          HG22      THR  22   5.226  10.038  -0.299
  151   3HG2  THR  22          HG23      THR  22   3.565   9.942   0.277
  152    H    ASP  23           HN       ASP  23   5.630   9.086   3.054
  153    HA   ASP  23           HA       ASP  23   8.245   9.786   2.047
  154   1HB   ASP  23          HB2       ASP  23   7.144  10.224   4.836
  155   2HB   ASP  23          HB1       ASP  23   8.456  11.088   4.038
  156    H    ARG  24           HN       ARG  24   6.881   7.104   3.459
  157    HA   ARG  24           HA       ARG  24   9.253   6.386   5.018
  158   1HB   ARG  24          HB2       ARG  24   6.416   5.352   5.022
  159   2HB   ARG  24          HB1       ARG  24   7.720   4.666   5.989
  160   1HG   ARG  24          HG2       ARG  24   7.901   6.556   7.335
  161   2HG   ARG  24          HG1       ARG  24   7.009   7.575   6.204
  162   1HD   ARG  24          HD2       ARG  24   5.668   7.043   8.130
  163   2HD   ARG  24          HD1       ARG  24   4.983   6.335   6.685
  164    HE   ARG  24           HE       ARG  24   6.316   4.247   7.567
  165   1HH1  ARG  24          HH11      ARG  24   4.319   6.512   9.369
  166   2HH1  ARG  24          HH12      ARG  24   3.844   5.328  10.520
  167   1HH2  ARG  24          HH21      ARG  24   5.656   2.705   9.090
  168   2HH2  ARG  24          HH22      ARG  24   4.588   3.169  10.373
  169    H    GLY  25           HN       GLY  25   9.433   6.251   2.192
  170   1HA   GLY  25          HA2       GLY  25  10.660   4.784   0.939
  171   2HA   GLY  25          HA1       GLY  25  10.275   3.493   2.061
  172    H    TYR  26           HN       TYR  26   7.289   4.399   1.608
  173    HA   TYR  26           HA       TYR  26   6.589   2.336  -0.088
  174   1HB   TYR  26          HB2       TYR  26   5.011   4.850   0.440
  175   2HB   TYR  26          HB1       TYR  26   4.365   3.356  -0.207
  176    HD1  TYR  26           HD1      TYR  26   4.095   5.133   2.536
  177    HD2  TYR  26           HD2      TYR  26   5.470   1.298   1.478
  178    HE1  TYR  26           HE1      TYR  26   3.639   4.350   4.808
  179    HE2  TYR  26           HE2      TYR  26   4.989   0.474   3.748
  180    HH   TYR  26           HH       TYR  26   4.785   1.981   6.233
  181    H    THR  27           HN       THR  27   6.340   2.111  -2.251
  182    HA   THR  27           HA       THR  27   6.894   4.482  -3.934
  183    HB   THR  27           HB       THR  27   8.694   2.709  -3.940
  184    HG1  THR  27           HG1      THR  27   8.625   3.974  -5.748
  185   1HG2  THR  27          HG21      THR  27   6.597   1.037  -5.333
  186   2HG2  THR  27          HG22      THR  27   7.240   0.746  -3.725
  187   3HG2  THR  27          HG23      THR  27   8.293   0.635  -5.116
  188    H    GLY  28           HN       GLY  28   4.698   1.931  -3.183
  189   1HA   GLY  28          HA2       GLY  28   2.976   2.800  -5.420
  190   2HA   GLY  28          HA1       GLY  28   3.178   1.103  -5.007
  191    H    SER  29           HN       SER  29   0.749   2.636  -5.037
  192    HA   SER  29           HA       SER  29  -0.116   2.106  -2.276
  193   1HB   SER  29          HB2       SER  29  -0.812   4.648  -3.774
  194   2HB   SER  29          HB1       SER  29  -1.331   4.198  -2.147
  195    HG   SER  29           HG       SER  29   0.525   5.664  -2.299
  196    H    CYS  30           HN       CYS  30  -1.074   0.243  -3.110
  197    HA   CYS  30           HA       CYS  30  -3.024   0.503  -5.277
  198   1HB   CYS  30          HB2       CYS  30  -2.355  -1.994  -3.721
  199   2HB   CYS  30          HB1       CYS  30  -3.041  -1.860  -5.331
  200    H    ARG  31           HN       ARG  31  -5.227  -0.123  -5.064
  201    HA   ARG  31           HA       ARG  31  -6.358   0.352  -2.429
  202   1HB   ARG  31          HB2       ARG  31  -7.636   1.296  -4.184
  203   2HB   ARG  31          HB1       ARG  31  -7.604  -0.193  -5.118
  204   1HG   ARG  31          HG2       ARG  31  -9.784   0.205  -4.102
  205   2HG   ARG  31          HG1       ARG  31  -9.065  -1.279  -3.497
  206   1HD   ARG  31          HD2       ARG  31  -8.242   0.164  -1.523
  207   2HD   ARG  31          HD1       ARG  31  -9.361   1.368  -2.126
  208    HE   ARG  31           HE       ARG  31 -10.114  -1.363  -1.244
  209   1HH1  ARG  31          HH11      ARG  31 -10.781   2.084  -1.380
  210   2HH1  ARG  31          HH12      ARG  31 -12.321   1.925  -0.641
  211   1HH2  ARG  31          HH21      ARG  31 -12.170  -1.535  -0.233
  212   2HH2  ARG  31          HH22      ARG  31 -13.119  -0.107   0.017
  213    H    TYR  32           HN       TYR  32  -6.286  -1.241  -1.018
  214    HA   TYR  32           HA       TYR  32  -6.534  -4.034  -1.925
  215   1HB   TYR  32          HB2       TYR  32  -4.626  -3.297  -0.437
  216   2HB   TYR  32          HB1       TYR  32  -5.792  -3.017   0.837
  217    HD1  TYR  32           HD1      TYR  32  -6.729  -4.869   2.054
  218    HD2  TYR  32           HD2      TYR  32  -4.188  -5.582  -1.276
  219    HE1  TYR  32           HE1      TYR  32  -6.586  -7.238   2.681
  220    HE2  TYR  32           HE2      TYR  32  -4.025  -7.950  -0.651
  221    HH   TYR  32           HH       TYR  32  -5.955  -9.541   1.026
  222    H    PHE  33           HN       PHE  33  -7.991  -5.407  -0.699
  223    HA   PHE  33           HA       PHE  33 -10.590  -4.597  -0.670
  224   1HB   PHE  33          HB2       PHE  33  -9.362  -6.666   1.161
  225   2HB   PHE  33          HB1       PHE  33 -11.081  -6.532   0.804
  226    HD1  PHE  33           HD1      PHE  33 -11.915  -7.058  -1.465
  227    HD2  PHE  33           HD2      PHE  33  -7.845  -7.684  -0.364
  228    HE1  PHE  33           HE1      PHE  33 -11.615  -8.527  -3.412
  229    HE2  PHE  33           HE2      PHE  33  -7.541  -9.151  -2.312
  230    HZ   PHE  33           HZ       PHE  33  -9.426  -9.576  -3.840
  231    H    LEU  34           HN       LEU  34  -8.477  -4.655   2.201
  232    HA   LEU  34           HA       LEU  34 -10.545  -3.290   3.732
  233   1HB   LEU  34          HB2       LEU  34  -7.985  -4.554   4.612
  234   2HB   LEU  34          HB1       LEU  34  -9.114  -3.800   5.676
  235    HG   LEU  34           HG       LEU  34  -9.521  -6.068   5.935
  236   1HD1  LEU  34          HD11      LEU  34 -11.739  -6.413   5.140
  237   2HD1  LEU  34          HD12      LEU  34 -11.529  -5.238   3.845
  238   3HD1  LEU  34          HD13      LEU  34 -11.558  -4.704   5.528
  239   1HD2  LEU  34          HD21      LEU  34  -9.974  -6.816   3.135
  240   2HD2  LEU  34          HD22      LEU  34  -9.146  -7.667   4.430
  241   3HD2  LEU  34          HD23      LEU  34  -8.304  -6.421   3.525
  242    H    GLY  35           HN       GLY  35  -8.345  -2.059   1.738
  243   1HA   GLY  35          HA2       GLY  35  -8.603   0.461   2.428
  244   2HA   GLY  35          HA1       GLY  35  -7.386  -0.033   3.566
  245    H    THR  36           HN       THR  36  -5.641   1.010   2.988
  246    HA   THR  36           HA       THR  36  -4.973   1.175   0.135
  247    HB   THR  36           HB       THR  36  -3.669   2.768   2.362
  248    HG1  THR  36           HG1      THR  36  -6.135   3.374   1.026
  249   1HG2  THR  36          HG21      THR  36  -2.673   2.871   0.119
  250   2HG2  THR  36          HG22      THR  36  -3.397   4.411   0.579
  251   3HG2  THR  36          HG23      THR  36  -4.235   3.349  -0.551
  252    H    CYS  37           HN       CYS  37  -3.602  -0.343  -0.532
  253    HA   CYS  37           HA       CYS  37  -1.683  -1.559   1.241
  254   1HB   CYS  37          HB2       CYS  37  -2.821  -2.986  -0.303
  255   2HB   CYS  37          HB1       CYS  37  -2.300  -2.009  -1.656
  256    H    CYS  38           HN       CYS  38  -0.119  -0.137   1.799
  257    HA   CYS  38           HA       CYS  38   1.183   1.439  -0.293
  258   1HB   CYS  38          HB2       CYS  38   1.500   1.392   2.709
  259   2HB   CYS  38          HB1       CYS  38   2.424   2.421   1.636
  260    H    THR  39           HN       THR  39   2.661   0.371  -1.436
  261    HA   THR  39           HA       THR  39   4.325  -1.609  -0.052
  262    HB   THR  39           HB       THR  39   4.548  -2.562  -2.421
  263    HG1  THR  39           HG1      THR  39   2.117  -1.133  -2.839
  264   1HG2  THR  39          HG21      THR  39   3.339  -3.989  -1.180
  265   2HG2  THR  39          HG22      THR  39   2.023  -3.387  -2.162
  266   3HG2  THR  39          HG23      THR  39   2.274  -2.740  -0.540
  267    HA   PRO  40           HA       PRO  40   7.849   0.622  -1.764
  268   1HB   PRO  40          HB2       PRO  40   9.575   0.014   0.260
  269   2HB   PRO  40          HB1       PRO  40   8.447   1.322   0.296
  270   1HG   PRO  40          HG2       PRO  40   8.346  -1.136   1.816
  271   2HG   PRO  40          HG1       PRO  40   7.535   0.407   2.108
  272   1HD   PRO  40          HD2       PRO  40   6.523  -1.968   0.869
  273   2HD   PRO  40          HD1       PRO  40   5.616  -0.548   1.326
  274    H    ALA  41           HN       ALA  41   9.509  -1.778   0.048
  275    HA   ALA  41           HA       ALA  41   9.271  -3.892  -1.879
  276   1HB   ALA  41          HB1       ALA  41  11.943  -2.537  -1.484
  277   2HB   ALA  41          HB2       ALA  41  10.961  -2.473  -2.946
  278   3HB   ALA  41          HB3       ALA  41  11.647  -4.008  -2.415
  279    H    ASP  42           HN       ASP  42   8.936  -3.208   1.062
  280    HA   ASP  42           HA       ASP  42  10.608  -5.364   2.170
  281   1HB   ASP  42          HB2       ASP  42  11.512  -3.136   2.766
  282   2HB   ASP  42          HB1       ASP  42   9.961  -2.707   3.479
  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1   1.917  -8.468  11.501
    2   2H    GLY   1           HT2      GLY   1   3.538  -8.035  11.705
    3   3H    GLY   1           HT3      GLY   1   3.103  -9.112  10.476
    4   1HA   GLY   1          HA1       GLY   1   2.339  -6.250  10.649
    5   2HA   GLY   1          HA2       GLY   1   3.567  -6.920   9.581
    6    H    THR   2           HN       THR   2   0.885  -5.528   9.151
    7    HA   THR   2           HA       THR   2  -0.685  -7.529   7.749
    8    HB   THR   2           HB       THR   2  -1.909  -5.349   6.968
    9    HG1  THR   2           HG1      THR   2  -1.405  -3.518   8.036
   10   1HG2  THR   2          HG21      THR   2  -2.809  -6.884   8.639
   11   2HG2  THR   2          HG22      THR   2  -3.127  -5.203   9.065
   12   3HG2  THR   2          HG23      THR   2  -1.840  -6.090   9.882
   13    H    ALA   3           HN       ALA   3   1.270  -8.162   6.516
   14    HA   ALA   3           HA       ALA   3   2.349  -6.380   4.598
   15   1HB   ALA   3          HB1       ALA   3   3.666  -8.141   5.627
   16   2HB   ALA   3          HB2       ALA   3   3.681  -8.268   3.869
   17   3HB   ALA   3          HB3       ALA   3   2.672  -9.356   4.826
   18    H    CYS   4           HN       CYS   4   1.980  -6.157   2.480
   19    HA   CYS   4           HA       CYS   4   0.274  -8.072   1.068
   20   1HB   CYS   4          HB2       CYS   4  -1.081  -6.280   0.080
   21   2HB   CYS   4          HB1       CYS   4  -1.279  -6.332   1.823
   22    H    SER   5           HN       SER   5   0.503  -7.863  -1.268
   23    HA   SER   5           HA       SER   5   2.756  -6.215  -2.148
   24   1HB   SER   5          HB2       SER   5   3.637  -8.303  -3.392
   25   2HB   SER   5          HB1       SER   5   3.937  -8.169  -1.663
   26    HG   SER   5           HG       SER   5   2.421  -9.682  -1.251
   27    H    CYS   6           HN       CYS   6   2.479  -5.379  -4.125
   28    HA   CYS   6           HA       CYS   6   0.505  -6.641  -5.912
   29   1HB   CYS   6          HB2       CYS   6  -0.357  -4.390  -6.519
   30   2HB   CYS   6          HB1       CYS   6  -0.723  -4.862  -4.866
   31    H    GLY   7           HN       GLY   7   1.169  -6.790  -7.959
   32   1HA   GLY   7          HA2       GLY   7   2.511  -6.612  -9.792
   33   2HA   GLY   7          HA1       GLY   7   3.038  -5.039  -9.206
   34    H    ASN   8           HN       ASN   8   5.008  -4.866  -8.240
   35    HA   ASN   8           HA       ASN   8   6.446  -7.366  -7.579
   36   1HB   ASN   8          HB2       ASN   8   7.439  -5.025  -9.208
   37   2HB   ASN   8          HB1       ASN   8   8.540  -6.156  -8.426
   38   1HD2  ASN   8          HD21      ASN   8   8.662  -8.283  -9.173
   39   2HD2  ASN   8          HD22      ASN   8   8.039  -8.721 -10.724
   40    H    SER   9           HN       SER   9   5.068  -4.829  -6.198
   41    HA   SER   9           HA       SER   9   7.369  -4.235  -4.461
   42   1HB   SER   9          HB2       SER   9   5.944  -2.230  -3.787
   43   2HB   SER   9          HB1       SER   9   6.623  -2.233  -5.403
   44    HG   SER   9           HG       SER   9   4.456  -1.632  -5.494
   45    H    LYS  10           HN       LYS  10   7.296  -4.580  -2.330
   46    HA   LYS  10           HA       LYS  10   4.906  -5.951  -1.219
   47   1HB   LYS  10          HB2       LYS  10   7.843  -6.273  -0.561
   48   2HB   LYS  10          HB1       LYS  10   6.525  -7.021   0.337
   49   1HG   LYS  10          HG2       LYS  10   5.969  -8.446  -1.433
   50   2HG   LYS  10          HG1       LYS  10   6.923  -7.525  -2.598
   51   1HD   LYS  10          HD2       LYS  10   8.012  -9.631  -1.922
   52   2HD   LYS  10          HD1       LYS  10   8.970  -8.209  -1.508
   53   1HE   LYS  10          HE2       LYS  10   8.014  -8.371   0.820
   54   2HE   LYS  10          HE1       LYS  10   7.293  -9.899   0.338
   55   1HZ   LYS  10          HZ1       LYS  10   9.511 -10.742  -0.111
   56   2HZ   LYS  10          HZ2       LYS  10   9.387 -10.198   1.485
   57   3HZ   LYS  10          HZ3       LYS  10  10.193  -9.256   0.335
   58    H    GLY  11           HN       GLY  11   4.077  -5.182   0.689
   59   1HA   GLY  11          HA2       GLY  11   5.619  -3.608   2.504
   60   2HA   GLY  11          HA1       GLY  11   4.573  -2.602   1.539
   61    H    ILE  12           HN       ILE  12   3.223  -1.924   3.106
   62    HA   ILE  12           HA       ILE  12   1.707  -3.979   4.590
   63    HB   ILE  12           HB       ILE  12   2.654  -1.258   5.515
   64   1HG1  ILE  12          HG12      ILE  12   4.443  -2.929   5.496
   65   2HG1  ILE  12          HG11      ILE  12   4.000  -2.514   7.147
   66   1HG2  ILE  12          HG21      ILE  12   1.731  -2.045   7.749
   67   2HG2  ILE  12          HG22      ILE  12   0.866  -3.279   6.836
   68   3HG2  ILE  12          HG23      ILE  12   0.552  -1.574   6.530
   69   1HD1  ILE  12          HD11      ILE  12   2.578  -4.608   7.162
   70   2HD1  ILE  12          HD12      ILE  12   4.319  -4.844   7.082
   71   3HD1  ILE  12          HD13      ILE  12   3.348  -5.010   5.632
   72    H    TYR  13           HN       TYR  13  -0.488  -3.833   4.501
   73    HA   TYR  13           HA       TYR  13  -1.567  -1.520   3.069
   74   1HB   TYR  13          HB2       TYR  13  -3.434  -2.739   2.494
   75   2HB   TYR  13          HB1       TYR  13  -2.189  -3.941   2.439
   76    HD1  TYR  13           HD1      TYR  13  -1.996  -5.662   4.240
   77    HD2  TYR  13           HD2      TYR  13  -5.255  -2.919   4.033
   78    HE1  TYR  13           HE1      TYR  13  -3.306  -7.104   5.737
   79    HE2  TYR  13           HE2      TYR  13  -6.530  -4.348   5.564
   80    HH   TYR  13           HH       TYR  13  -5.554  -6.405   7.476
   81    H    TRP  14           HN       TRP  14  -2.977  -0.133   3.916
   82    HA   TRP  14           HA       TRP  14  -3.297  -0.207   6.846
   83   1HB   TRP  14          HB2       TRP  14  -3.401   2.103   4.881
   84   2HB   TRP  14          HB1       TRP  14  -3.649   2.214   6.622
   85    HD1  TRP  14           HD1      TRP  14  -0.824   0.981   4.256
   86    HE1  TRP  14           HE1      TRP  14   1.421   1.646   5.316
   87    HE3  TRP  14           HE3      TRP  14  -2.564   3.152   8.549
   88    HZ2  TRP  14           HZ2      TRP  14   2.337   2.930   7.658
   89    HZ3  TRP  14           HZ3      TRP  14  -0.935   4.081  10.144
   90    HH2  TRP  14           HH2      TRP  14   1.463   3.972   9.705
   91    H    PHE  15           HN       PHE  15  -5.328   0.301   7.743
   92    HA   PHE  15           HA       PHE  15  -7.489  -0.735   6.177
   93   1HB   PHE  15          HB2       PHE  15  -7.336   0.250   9.015
   94   2HB   PHE  15          HB1       PHE  15  -8.821  -0.366   8.297
   95    HD1  PHE  15           HD1      PHE  15  -5.531  -1.247   9.617
   96    HD2  PHE  15           HD2      PHE  15  -9.032  -2.716   7.674
   97    HE1  PHE  15           HE1      PHE  15  -4.873  -3.551  10.170
   98    HE2  PHE  15           HE2      PHE  15  -8.377  -5.016   8.227
   99    HZ   PHE  15           HZ       PHE  15  -6.294  -5.440   9.474
  100    H    TYR  16           HN       TYR  16  -8.087   0.647   4.632
  101    HA   TYR  16           HA       TYR  16  -8.999   2.369   3.521
  102   1HB   TYR  16          HB2       TYR  16 -10.543   2.546   6.114
  103   2HB   TYR  16          HB1       TYR  16 -11.028   3.299   4.597
  104    HD1  TYR  16           HD1      TYR  16 -11.226   0.341   6.577
  105    HD2  TYR  16           HD2      TYR  16 -11.343   1.743   2.555
  106    HE1  TYR  16           HE1      TYR  16 -12.346  -1.735   5.886
  107    HE2  TYR  16           HE2      TYR  16 -12.469  -0.325   1.864
  108    HH   TYR  16           HH       TYR  16 -12.450  -2.915   3.050
  109    H    ARG  17           HN       ARG  17  -6.995   3.569   3.494
  110    HA   ARG  17           HA       ARG  17  -7.096   5.969   5.196
  111   1HB   ARG  17          HB2       ARG  17  -4.679   4.728   3.904
  112   2HB   ARG  17          HB1       ARG  17  -4.690   6.181   4.896
  113   1HG   ARG  17          HG2       ARG  17  -5.397   3.399   5.816
  114   2HG   ARG  17          HG1       ARG  17  -3.896   4.269   6.137
  115   1HD   ARG  17          HD2       ARG  17  -5.202   6.005   7.292
  116   2HD   ARG  17          HD1       ARG  17  -6.650   5.024   7.091
  117    HE   ARG  17           HE       ARG  17  -5.214   3.260   8.352
  118   1HH1  ARG  17          HH11      ARG  17  -5.362   6.712   8.990
  119   2HH1  ARG  17          HH12      ARG  17  -4.945   6.531  10.646
  120   1HH2  ARG  17          HH21      ARG  17  -4.667   3.052  10.559
  121   2HH2  ARG  17          HH22      ARG  17  -4.556   4.468  11.551
  122    HA   PRO  18           HA       PRO  18  -8.219   7.914   1.341
  123   1HB   PRO  18          HB2       PRO  18  -7.557  10.432   2.769
  124   2HB   PRO  18          HB1       PRO  18  -9.073   9.905   2.029
  125   1HG   PRO  18          HG2       PRO  18  -8.763   9.990   4.682
  126   2HG   PRO  18          HG1       PRO  18  -9.729   8.726   3.898
  127   1HD   PRO  18          HD2       PRO  18  -6.948   8.582   4.999
  128   2HD   PRO  18          HD1       PRO  18  -8.282   7.411   5.093
  129    H    SER  19           HN       SER  19  -5.145   8.152   2.878
  130    HA   SER  19           HA       SER  19  -3.910   8.856   0.342
  131   1HB   SER  19          HB2       SER  19  -3.309  10.352   2.917
  132   2HB   SER  19          HB1       SER  19  -2.471  10.556   1.376
  133    HG   SER  19           HG       SER  19  -4.056  12.147   1.640
  134    H    CYS  20           HN       CYS  20  -1.861   7.995   0.118
  135    HA   CYS  20           HA       CYS  20  -1.074   6.088   2.201
  136   1HB   CYS  20          HB2       CYS  20  -1.354   5.098   0.034
  137   2HB   CYS  20          HB1       CYS  20  -0.281   6.286  -0.695
  138    HA   PRO  21           HA       PRO  21   2.194   9.054   3.144
  139   1HB   PRO  21          HB2       PRO  21   3.358   7.590   5.136
  140   2HB   PRO  21          HB1       PRO  21   1.885   8.534   5.351
  141   1HG   PRO  21          HG2       PRO  21   2.185   5.599   4.896
  142   2HG   PRO  21          HG1       PRO  21   1.106   6.460   6.008
  143   1HD   PRO  21          HD2       PRO  21   0.295   5.457   3.616
  144   2HD   PRO  21          HD1       PRO  21  -0.448   6.884   4.367
  145    H    THR  22           HN       THR  22   3.194   8.708   1.077
  146    HA   THR  22           HA       THR  22   4.839   6.403   0.609
  147    HB   THR  22           HB       THR  22   5.604   7.764  -1.420
  148    HG1  THR  22           HG1      THR  22   4.707   9.742  -1.738
  149   1HG2  THR  22          HG21      THR  22   3.466   7.583  -2.577
  150   2HG2  THR  22          HG22      THR  22   2.629   7.413  -1.035
  151   3HG2  THR  22          HG23      THR  22   3.760   6.167  -1.568
  152    H    ASP  23           HN       ASP  23   5.259   9.176   2.433
  153    HA   ASP  23           HA       ASP  23   8.087   9.506   2.022
  154   1HB   ASP  23          HB2       ASP  23   6.620  11.379   2.712
  155   2HB   ASP  23          HB1       ASP  23   6.278  10.546   4.225
  156    H    ARG  24           HN       ARG  24   6.105   7.289   3.639
  157    HA   ARG  24           HA       ARG  24   8.095   6.663   5.687
  158   1HB   ARG  24          HB2       ARG  24   5.317   6.589   5.671
  159   2HB   ARG  24          HB1       ARG  24   5.741   4.910   5.468
  160   1HG   ARG  24          HG2       ARG  24   6.753   6.687   7.673
  161   2HG   ARG  24          HG1       ARG  24   5.401   5.564   7.809
  162   1HD   ARG  24          HD2       ARG  24   8.216   4.770   7.095
  163   2HD   ARG  24          HD1       ARG  24   7.554   4.709   8.723
  164    HE   ARG  24           HE       ARG  24   5.776   3.207   7.427
  165   1HH1  ARG  24          HH11      ARG  24   9.297   3.134   7.391
  166   2HH1  ARG  24          HH12      ARG  24   9.361   1.467   6.969
  167   1HH2  ARG  24          HH21      ARG  24   5.904   0.994   6.901
  168   2HH2  ARG  24          HH22      ARG  24   7.440   0.249   6.669
  169    H    GLY  25           HN       GLY  25   8.757   6.313   2.882
  170   1HA   GLY  25          HA2       GLY  25  10.181   4.787   1.952
  171   2HA   GLY  25          HA1       GLY  25   9.615   3.560   3.072
  172    H    TYR  26           HN       TYR  26   6.771   4.119   2.380
  173    HA   TYR  26           HA       TYR  26   6.408   2.117   0.512
  174   1HB   TYR  26          HB2       TYR  26   4.441   4.324   1.144
  175   2HB   TYR  26          HB1       TYR  26   4.087   2.721   0.510
  176    HD1  TYR  26           HD1      TYR  26   5.159   0.779   2.087
  177    HD2  TYR  26           HD2      TYR  26   3.948   4.598   3.389
  178    HE1  TYR  26           HE1      TYR  26   4.919  -0.105   4.358
  179    HE2  TYR  26           HE2      TYR  26   3.695   3.763   5.671
  180    HH   TYR  26           HH       TYR  26   3.247   1.036   6.586
  181    H    THR  27           HN       THR  27   6.421   2.060  -1.661
  182    HA   THR  27           HA       THR  27   6.851   4.604  -3.076
  183    HB   THR  27           HB       THR  27   7.464   1.766  -3.972
  184    HG1  THR  27           HG1      THR  27   9.490   2.133  -3.224
  185   1HG2  THR  27          HG21      THR  27   8.936   2.954  -5.604
  186   2HG2  THR  27          HG22      THR  27   8.179   4.471  -5.122
  187   3HG2  THR  27          HG23      THR  27   7.214   3.204  -5.882
  188    H    GLY  28           HN       GLY  28   4.931   1.625  -3.185
  189   1HA   GLY  28          HA2       GLY  28   3.254   2.842  -5.295
  190   2HA   GLY  28          HA1       GLY  28   3.437   1.124  -4.980
  191    H    SER  29           HN       SER  29   1.038   2.839  -5.068
  192    HA   SER  29           HA       SER  29  -0.024   2.095  -2.409
  193   1HB   SER  29          HB2       SER  29  -1.524   4.097  -2.591
  194   2HB   SER  29          HB1       SER  29   0.183   4.483  -2.389
  195    HG   SER  29           HG       SER  29  -0.785   5.748  -4.025
  196    H    CYS  30           HN       CYS  30  -0.829   0.184  -3.184
  197    HA   CYS  30           HA       CYS  30  -2.756   0.264  -5.409
  198   1HB   CYS  30          HB2       CYS  30  -1.691  -2.097  -3.836
  199   2HB   CYS  30          HB1       CYS  30  -2.652  -2.162  -5.311
  200    H    ARG  31           HN       ARG  31  -4.952  -0.292  -5.096
  201    HA   ARG  31           HA       ARG  31  -5.881   0.184  -2.388
  202   1HB   ARG  31          HB2       ARG  31  -7.025   1.188  -4.342
  203   2HB   ARG  31          HB1       ARG  31  -7.526  -0.413  -4.862
  204   1HG   ARG  31          HG2       ARG  31  -8.216   0.597  -2.109
  205   2HG   ARG  31          HG1       ARG  31  -9.161   1.080  -3.515
  206   1HD   ARG  31          HD2       ARG  31  -9.783  -1.156  -3.976
  207   2HD   ARG  31          HD1       ARG  31  -8.635  -1.806  -2.856
  208    HE   ARG  31           HE       ARG  31  -9.932  -1.071  -1.029
  209   1HH1  ARG  31          HH11      ARG  31 -11.524  -0.780  -4.157
  210   2HH1  ARG  31          HH12      ARG  31 -13.096  -0.717  -3.469
  211   1HH2  ARG  31          HH21      ARG  31 -12.036  -1.002  -0.151
  212   2HH2  ARG  31          HH22      ARG  31 -13.402  -0.835  -1.202
  213    H    TYR  32           HN       TYR  32  -6.295  -1.334  -0.968
  214    HA   TYR  32           HA       TYR  32  -6.573  -4.131  -1.880
  215   1HB   TYR  32          HB2       TYR  32  -4.653  -3.423  -0.335
  216   2HB   TYR  32          HB1       TYR  32  -5.860  -3.189   0.913
  217    HD1  TYR  32           HD1      TYR  32  -6.827  -5.089   2.040
  218    HD2  TYR  32           HD2      TYR  32  -4.214  -5.670  -1.262
  219    HE1  TYR  32           HE1      TYR  32  -6.684  -7.485   2.570
  220    HE2  TYR  32           HE2      TYR  32  -4.065  -8.062  -0.726
  221    HH   TYR  32           HH       TYR  32  -4.613  -9.397   1.923
  222    H    PHE  33           HN       PHE  33  -8.198  -5.402  -0.784
  223    HA   PHE  33           HA       PHE  33 -10.701  -4.286  -0.731
  224   1HB   PHE  33          HB2       PHE  33  -9.757  -6.672   0.863
  225   2HB   PHE  33          HB1       PHE  33 -11.443  -6.285   0.551
  226    HD1  PHE  33           HD1      PHE  33 -12.356  -6.480  -1.721
  227    HD2  PHE  33           HD2      PHE  33  -8.357  -7.647  -0.818
  228    HE1  PHE  33           HE1      PHE  33 -12.244  -7.727  -3.834
  229    HE2  PHE  33           HE2      PHE  33  -8.244  -8.895  -2.932
  230    HZ   PHE  33           HZ       PHE  33 -10.188  -8.936  -4.442
  231    H    LEU  34           HN       LEU  34  -8.492  -4.592   2.005
  232    HA   LEU  34           HA       LEU  34 -10.459  -3.426   3.792
  233   1HB   LEU  34          HB2       LEU  34  -7.761  -4.593   4.272
  234   2HB   LEU  34          HB1       LEU  34  -8.742  -3.927   5.558
  235    HG   LEU  34           HG       LEU  34  -9.117  -6.210   5.740
  236   1HD1  LEU  34          HD11      LEU  34 -11.374  -6.577   5.153
  237   2HD1  LEU  34          HD12      LEU  34 -11.310  -5.418   3.829
  238   3HD1  LEU  34          HD13      LEU  34 -11.216  -4.859   5.503
  239   1HD2  LEU  34          HD21      LEU  34  -9.323  -6.419   2.743
  240   2HD2  LEU  34          HD22      LEU  34  -9.447  -7.738   3.887
  241   3HD2  LEU  34          HD23      LEU  34  -7.940  -6.863   3.718
  242    H    GLY  35           HN       GLY  35  -8.209  -2.143   1.733
  243   1HA   GLY  35          HA2       GLY  35  -8.630   0.401   2.369
  244   2HA   GLY  35          HA1       GLY  35  -7.380  -0.027   3.495
  245    H    THR  36           HN       THR  36  -5.543   0.843   2.897
  246    HA   THR  36           HA       THR  36  -4.948   0.939   0.008
  247    HB   THR  36           HB       THR  36  -3.816   2.738   2.178
  248    HG1  THR  36           HG1      THR  36  -6.080   3.182   0.466
  249   1HG2  THR  36          HG21      THR  36  -2.500   2.675   0.138
  250   2HG2  THR  36          HG22      THR  36  -3.358   4.210   0.254
  251   3HG2  THR  36          HG23      THR  36  -3.945   2.956  -0.836
  252    H    CYS  37           HN       CYS  37  -3.544  -0.565  -0.564
  253    HA   CYS  37           HA       CYS  37  -1.618  -1.667   1.279
  254   1HB   CYS  37          HB2       CYS  37  -2.728  -3.178  -0.217
  255   2HB   CYS  37          HB1       CYS  37  -2.199  -2.252  -1.610
  256    H    CYS  38           HN       CYS  38  -0.056  -0.210   1.766
  257    HA   CYS  38           HA       CYS  38   1.220   1.286  -0.395
  258   1HB   CYS  38          HB2       CYS  38   1.522   1.396   2.604
  259   2HB   CYS  38          HB1       CYS  38   2.417   2.374   1.486
  260    H    THR  39           HN       THR  39   2.860   0.371  -1.444
  261    HA   THR  39           HA       THR  39   4.452  -1.652  -0.039
  262    HB   THR  39           HB       THR  39   4.667  -2.689  -2.323
  263    HG1  THR  39           HG1      THR  39   2.393  -1.076  -2.940
  264   1HG2  THR  39          HG21      THR  39   2.281  -2.631  -0.602
  265   2HG2  THR  39          HG22      THR  39   3.288  -3.979  -1.125
  266   3HG2  THR  39          HG23      THR  39   2.076  -3.320  -2.213
  267    HA   PRO  40           HA       PRO  40   8.073   0.318  -1.824
  268   1HB   PRO  40          HB2       PRO  40   9.665   0.005   0.399
  269   2HB   PRO  40          HB1       PRO  40   8.617   1.351   0.098
  270   1HG   PRO  40          HG2       PRO  40   8.317  -0.675   2.116
  271   2HG   PRO  40          HG1       PRO  40   7.416   0.833   1.917
  272   1HD   PRO  40          HD2       PRO  40   6.721  -1.884   1.087
  273   2HD   PRO  40          HD1       PRO  40   5.667  -0.514   1.315
  274    H    ALA  41           HN       ALA  41   9.423  -1.813   0.551
  275    HA   ALA  41           HA       ALA  41   9.370  -4.197  -1.007
  276   1HB   ALA  41          HB1       ALA  41  11.788  -4.410  -1.287
  277   2HB   ALA  41          HB2       ALA  41  12.020  -2.789  -0.626
  278   3HB   ALA  41          HB3       ALA  41  11.177  -3.004  -2.159
  279    H    ASP  42           HN       ASP  42   8.269  -3.992   1.314
  280    HA   ASP  42           HA       ASP  42  10.126  -4.391   3.500
  281   1HB   ASP  42          HB2       ASP  42   7.998  -3.158   3.814
  282   2HB   ASP  42          HB1       ASP  42   7.109  -4.642   3.485
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1   1.572  -9.687  10.592
    2   2H    GLY   1           HT2      GLY   1   3.021  -8.947  11.053
    3   3H    GLY   1           HT3      GLY   1   2.818  -9.481   9.462
    4   1HA   GLY   1          HA1       GLY   1   1.300  -7.294  10.775
    5   2HA   GLY   1          HA2       GLY   1   2.594  -7.080   9.604
    6    H    THR   2           HN       THR   2   0.442  -5.844   8.848
    7    HA   THR   2           HA       THR   2  -1.305  -7.593   7.297
    8    HB   THR   2           HB       THR   2  -2.277  -5.335   6.564
    9    HG1  THR   2           HG1      THR   2  -1.609  -3.524   7.554
   10   1HG2  THR   2          HG21      THR   2  -3.321  -6.714   8.278
   11   2HG2  THR   2          HG22      THR   2  -3.468  -4.997   8.650
   12   3HG2  THR   2          HG23      THR   2  -2.270  -5.980   9.491
   13    H    ALA   3           HN       ALA   3   0.686  -8.403   6.208
   14    HA   ALA   3           HA       ALA   3   2.171  -6.795   4.452
   15   1HB   ALA   3          HB1       ALA   3   3.048  -8.878   3.571
   16   2HB   ALA   3          HB2       ALA   3   1.759  -9.777   4.375
   17   3HB   ALA   3          HB3       ALA   3   2.967  -8.921   5.331
   18    H    CYS   4           HN       CYS   4   1.980  -6.296   2.361
   19    HA   CYS   4           HA       CYS   4  -0.155  -7.488   0.733
   20   1HB   CYS   4          HB2       CYS   4  -1.146  -5.495   1.733
   21   2HB   CYS   4          HB1       CYS   4   0.224  -4.524   1.218
   22    H    SER   5           HN       SER   5   0.232  -7.205  -1.566
   23    HA   SER   5           HA       SER   5   2.852  -6.121  -2.281
   24   1HB   SER   5          HB2       SER   5   2.046  -8.986  -2.824
   25   2HB   SER   5          HB1       SER   5   3.501  -8.196  -3.435
   26    HG   SER   5           HG       SER   5   3.727  -9.480  -1.452
   27    H    CYS   6           HN       CYS   6   3.037  -5.408  -4.292
   28    HA   CYS   6           HA       CYS   6   0.909  -5.957  -6.248
   29   1HB   CYS   6          HB2       CYS   6   2.140  -3.227  -5.755
   30   2HB   CYS   6          HB1       CYS   6   0.926  -3.633  -6.966
   31    H    GLY   7           HN       GLY   7   2.202  -7.391  -7.362
   32   1HA   GLY   7          HA2       GLY   7   3.757  -7.993  -8.934
   33   2HA   GLY   7          HA1       GLY   7   4.232  -6.306  -9.077
   34    H    ASN   8           HN       ASN   8   6.276  -5.917  -8.479
   35    HA   ASN   8           HA       ASN   8   7.664  -7.809  -6.710
   36   1HB   ASN   8          HB2       ASN   8   8.732  -6.934  -8.821
   37   2HB   ASN   8          HB1       ASN   8   8.786  -5.341  -8.074
   38   1HD2  ASN   8          HD21      ASN   8  11.029  -5.226  -8.055
   39   2HD2  ASN   8          HD22      ASN   8  11.996  -6.228  -7.034
   40    H    SER   9           HN       SER   9   5.922  -4.887  -6.552
   41    HA   SER   9           HA       SER   9   7.410  -3.694  -4.413
   42   1HB   SER   9          HB2       SER   9   4.620  -3.079  -5.428
   43   2HB   SER   9          HB1       SER   9   5.590  -2.066  -4.363
   44    HG   SER   9           HG       SER   9   6.978  -1.639  -6.004
   45    H    LYS  10           HN       LYS  10   7.348  -4.402  -2.384
   46    HA   LYS  10           HA       LYS  10   4.914  -5.789  -1.415
   47   1HB   LYS  10          HB2       LYS  10   7.815  -6.311  -0.805
   48   2HB   LYS  10          HB1       LYS  10   6.481  -7.076   0.046
   49   1HG   LYS  10          HG2       LYS  10   5.746  -8.161  -1.963
   50   2HG   LYS  10          HG1       LYS  10   6.972  -7.338  -2.916
   51   1HD   LYS  10          HD2       LYS  10   7.552  -9.220  -0.617
   52   2HD   LYS  10          HD1       LYS  10   7.545  -9.688  -2.318
   53   1HE   LYS  10          HE2       LYS  10   9.343  -7.586  -1.098
   54   2HE   LYS  10          HE1       LYS  10   9.802  -9.232  -1.497
   55   1HZ   LYS  10          HZ1       LYS  10   9.157  -8.709  -3.845
   56   2HZ   LYS  10          HZ2       LYS  10  10.509  -7.880  -3.263
   57   3HZ   LYS  10          HZ3       LYS  10   9.026  -7.085  -3.380
   58    H    GLY  11           HN       GLY  11   4.059  -5.074   0.456
   59   1HA   GLY  11          HA2       GLY  11   5.596  -3.606   2.376
   60   2HA   GLY  11          HA1       GLY  11   4.566  -2.575   1.422
   61    H    ILE  12           HN       ILE  12   3.257  -1.952   3.082
   62    HA   ILE  12           HA       ILE  12   1.644  -4.068   4.381
   63    HB   ILE  12           HB       ILE  12   2.713  -1.493   5.568
   64   1HG1  ILE  12          HG12      ILE  12   4.428  -3.198   5.405
   65   2HG1  ILE  12          HG11      ILE  12   3.972  -2.985   7.089
   66   1HG2  ILE  12          HG21      ILE  12   1.743  -2.402   7.705
   67   2HG2  ILE  12          HG22      ILE  12   0.872  -3.567   6.713
   68   3HG2  ILE  12          HG23      ILE  12   0.572  -1.843   6.516
   69   1HD1  ILE  12          HD11      ILE  12   2.487  -5.016   6.795
   70   2HD1  ILE  12          HD12      ILE  12   4.222  -5.292   6.723
   71   3HD1  ILE  12          HD13      ILE  12   3.283  -5.239   5.245
   72    H    TYR  13           HN       TYR  13  -0.555  -3.723   4.514
   73    HA   TYR  13           HA       TYR  13  -1.488  -1.282   3.178
   74   1HB   TYR  13          HB2       TYR  13  -3.357  -2.367   2.429
   75   2HB   TYR  13          HB1       TYR  13  -2.160  -3.644   2.357
   76    HD1  TYR  13           HD1      TYR  13  -5.225  -2.476   3.937
   77    HD2  TYR  13           HD2      TYR  13  -2.236  -5.512   3.988
   78    HE1  TYR  13           HE1      TYR  13  -6.682  -3.895   5.274
   79    HE2  TYR  13           HE2      TYR  13  -3.722  -6.951   5.317
   80    HH   TYR  13           HH       TYR  13  -5.855  -6.350   7.014
   81    H    TRP  14           HN       TRP  14  -2.769   0.144   4.136
   82    HA   TRP  14           HA       TRP  14  -3.119  -0.114   7.044
   83   1HB   TRP  14          HB2       TRP  14  -3.235   2.331   5.250
   84   2HB   TRP  14          HB1       TRP  14  -3.312   2.321   7.005
   85    HD1  TRP  14           HD1      TRP  14  -0.787   1.043   4.329
   86    HE1  TRP  14           HE1      TRP  14   1.582   1.585   5.154
   87    HE3  TRP  14           HE3      TRP  14  -1.947   3.224   8.802
   88    HZ2  TRP  14           HZ2      TRP  14   2.800   2.789   7.394
   89    HZ3  TRP  14           HZ3      TRP  14  -0.134   4.058  10.216
   90    HH2  TRP  14           HH2      TRP  14   2.197   3.839   9.529
   91    H    PHE  15           HN       PHE  15  -5.126   0.227   8.000
   92    HA   PHE  15           HA       PHE  15  -7.378  -0.437   6.325
   93   1HB   PHE  15          HB2       PHE  15  -7.183   0.155   9.282
   94   2HB   PHE  15          HB1       PHE  15  -8.662  -0.354   8.476
   95    HD1  PHE  15           HD1      PHE  15  -5.444  -1.418   9.789
   96    HD2  PHE  15           HD2      PHE  15  -8.848  -2.615   7.523
   97    HE1  PHE  15           HE1      PHE  15  -4.810  -3.772  10.082
   98    HE2  PHE  15           HE2      PHE  15  -8.213  -4.974   7.815
   99    HZ   PHE  15           HZ       PHE  15  -6.194  -5.552   9.097
  100    H    TYR  16           HN       TYR  16  -8.075   1.168   5.040
  101    HA   TYR  16           HA       TYR  16  -9.005   3.084   4.325
  102   1HB   TYR  16          HB2       TYR  16 -10.018   3.082   7.173
  103   2HB   TYR  16          HB1       TYR  16 -10.635   4.138   5.907
  104    HD1  TYR  16           HD1      TYR  16 -11.938   3.230   4.043
  105    HD2  TYR  16           HD2      TYR  16 -10.596   0.726   7.219
  106    HE1  TYR  16           HE1      TYR  16 -13.525   1.496   3.340
  107    HE2  TYR  16           HE2      TYR  16 -12.181  -1.015   6.517
  108    HH   TYR  16           HH       TYR  16 -14.666  -0.723   4.979
  109    H    ARG  17           HN       ARG  17  -6.555   3.692   4.436
  110    HA   ARG  17           HA       ARG  17  -6.460   6.358   5.683
  111   1HB   ARG  17          HB2       ARG  17  -4.329   4.238   5.985
  112   2HB   ARG  17          HB1       ARG  17  -4.091   5.943   6.348
  113   1HG   ARG  17          HG2       ARG  17  -5.841   5.816   8.061
  114   2HG   ARG  17          HG1       ARG  17  -6.050   4.104   7.705
  115   1HD   ARG  17          HD2       ARG  17  -4.683   4.397   9.650
  116   2HD   ARG  17          HD1       ARG  17  -3.747   3.684   8.361
  117    HE   ARG  17           HE       ARG  17  -2.967   6.107   7.965
  118   1HH1  ARG  17          HH11      ARG  17  -3.619   4.688  11.112
  119   2HH1  ARG  17          HH12      ARG  17  -2.564   5.771  11.927
  120   1HH2  ARG  17          HH21      ARG  17  -1.588   7.535   9.075
  121   2HH2  ARG  17          HH22      ARG  17  -1.404   7.381  10.791
  122    HA   PRO  18           HA       PRO  18  -5.221   6.206   1.167
  123   1HB   PRO  18          HB2       PRO  18  -6.589   8.852   1.294
  124   2HB   PRO  18          HB1       PRO  18  -6.747   7.545   0.115
  125   1HG   PRO  18          HG2       PRO  18  -8.658   8.024   1.910
  126   2HG   PRO  18          HG1       PRO  18  -8.249   6.369   1.420
  127   1HD   PRO  18          HD2       PRO  18  -7.510   7.849   3.913
  128   2HD   PRO  18          HD1       PRO  18  -7.992   6.156   3.697
  129    H    SER  19           HN       SER  19  -4.858   8.383   3.840
  130    HA   SER  19           HA       SER  19  -2.742   9.924   2.574
  131   1HB   SER  19          HB2       SER  19  -3.814  10.072   5.408
  132   2HB   SER  19          HB1       SER  19  -2.812  11.265   4.574
  133    HG   SER  19           HG       SER  19  -4.988  11.883   4.519
  134    H    CYS  20           HN       CYS  20  -1.628   7.818   2.284
  135    HA   CYS  20           HA       CYS  20  -0.668   6.370   4.503
  136   1HB   CYS  20          HB2       CYS  20  -0.954   5.485   2.208
  137   2HB   CYS  20          HB1       CYS  20   0.442   6.420   1.694
  138    HA   PRO  21           HA       PRO  21   2.742   9.183   5.399
  139   1HB   PRO  21          HB2       PRO  21   3.605   7.941   7.645
  140   2HB   PRO  21          HB1       PRO  21   2.139   8.923   7.599
  141   1HG   PRO  21          HG2       PRO  21   2.426   5.961   7.584
  142   2HG   PRO  21          HG1       PRO  21   1.200   6.971   8.367
  143   1HD   PRO  21          HD2       PRO  21   0.866   5.611   5.969
  144   2HD   PRO  21          HD1       PRO  21  -0.121   6.977   6.522
  145    H    THR  22           HN       THR  22   4.195   8.819   3.769
  146    HA   THR  22           HA       THR  22   5.502   6.297   3.446
  147    HB   THR  22           HB       THR  22   4.967   7.538   1.453
  148    HG1  THR  22           HG1      THR  22   6.886   7.242   0.446
  149   1HG2  THR  22          HG21      THR  22   6.447   9.645   1.053
  150   2HG2  THR  22          HG22      THR  22   6.473   9.747   2.809
  151   3HG2  THR  22          HG23      THR  22   4.940   9.773   1.946
  152    H    ASP  23           HN       ASP  23   6.217   6.427   5.761
  153    HA   ASP  23           HA       ASP  23   8.637   7.954   6.243
  154   1HB   ASP  23          HB2       ASP  23   7.149   7.515   8.116
  155   2HB   ASP  23          HB1       ASP  23   7.265   5.779   7.844
  156    H    ARG  24           HN       ARG  24   7.700   4.768   5.144
  157    HA   ARG  24           HA       ARG  24  10.511   3.879   5.255
  158   1HB   ARG  24          HB2       ARG  24   8.024   2.221   4.820
  159   2HB   ARG  24          HB1       ARG  24   9.666   1.640   5.094
  160   1HG   ARG  24          HG2       ARG  24   9.576   2.743   7.350
  161   2HG   ARG  24          HG1       ARG  24   7.868   3.067   7.046
  162   1HD   ARG  24          HD2       ARG  24   9.231   0.408   7.228
  163   2HD   ARG  24          HD1       ARG  24   8.074   1.075   8.368
  164    HE   ARG  24           HE       ARG  24   6.463   1.000   6.390
  165   1HH1  ARG  24          HH11      ARG  24   8.983  -1.366   6.993
  166   2HH1  ARG  24          HH12      ARG  24   8.151  -2.612   6.183
  167   1HH2  ARG  24          HH21      ARG  24   5.443  -0.678   5.215
  168   2HH2  ARG  24          HH22      ARG  24   6.193  -2.208   5.082
  169    H    GLY  25           HN       GLY  25   9.126   5.673   3.185
  170   1HA   GLY  25          HA2       GLY  25   9.429   6.049   0.979
  171   2HA   GLY  25          HA1       GLY  25  10.596   4.739   0.993
  172    H    TYR  26           HN       TYR  26   7.038   4.935   1.420
  173    HA   TYR  26           HA       TYR  26   6.574   2.485   0.071
  174   1HB   TYR  26          HB2       TYR  26   4.677   4.768   0.667
  175   2HB   TYR  26          HB1       TYR  26   4.184   3.180   0.083
  176    HD1  TYR  26           HD1      TYR  26   5.223   1.187   1.514
  177    HD2  TYR  26           HD2      TYR  26   4.474   5.075   2.968
  178    HE1  TYR  26           HE1      TYR  26   5.164   0.304   3.782
  179    HE2  TYR  26           HE2      TYR  26   4.432   4.210   5.271
  180    HH   TYR  26           HH       TYR  26   3.902   1.343   6.140
  181    H    THR  27           HN       THR  27   6.648   2.081  -2.021
  182    HA   THR  27           HA       THR  27   7.108   4.271  -3.836
  183    HB   THR  27           HB       THR  27   7.112   1.298  -4.467
  184    HG1  THR  27           HG1      THR  27   9.248   2.925  -3.455
  185   1HG2  THR  27          HG21      THR  27   8.515   3.666  -5.723
  186   2HG2  THR  27          HG22      THR  27   7.181   2.749  -6.424
  187   3HG2  THR  27          HG23      THR  27   8.745   1.978  -6.176
  188    H    GLY  28           HN       GLY  28   4.775   1.588  -3.579
  189   1HA   GLY  28          HA2       GLY  28   3.143   2.944  -5.656
  190   2HA   GLY  28          HA1       GLY  28   3.268   1.206  -5.448
  191    H    SER  29           HN       SER  29   0.870   2.675  -5.523
  192    HA   SER  29           HA       SER  29  -0.157   2.055  -2.828
  193   1HB   SER  29          HB2       SER  29  -0.041   4.515  -3.180
  194   2HB   SER  29          HB1       SER  29  -1.107   4.341  -4.572
  195    HG   SER  29           HG       SER  29  -1.672   3.906  -1.838
  196    H    CYS  30           HN       CYS  30  -1.610   0.498  -2.919
  197    HA   CYS  30           HA       CYS  30  -3.262   0.186  -5.364
  198   1HB   CYS  30          HB2       CYS  30  -2.248  -2.050  -3.588
  199   2HB   CYS  30          HB1       CYS  30  -3.182  -2.211  -5.063
  200    H    ARG  31           HN       ARG  31  -5.448  -0.515  -4.947
  201    HA   ARG  31           HA       ARG  31  -6.320   0.197  -2.236
  202   1HB   ARG  31          HB2       ARG  31  -7.499   1.152  -4.199
  203   2HB   ARG  31          HB1       ARG  31  -8.037  -0.462  -4.642
  204   1HG   ARG  31          HG2       ARG  31  -8.607   0.491  -1.865
  205   2HG   ARG  31          HG1       ARG  31  -9.508   1.217  -3.193
  206   1HD   ARG  31          HD2       ARG  31 -10.704  -0.630  -3.582
  207   2HD   ARG  31          HD1       ARG  31  -9.373  -1.713  -3.324
  208    HE   ARG  31           HE       ARG  31  -9.749  -1.640  -0.978
  209   1HH1  ARG  31          HH11      ARG  31 -12.287  -0.080  -2.854
  210   2HH1  ARG  31          HH12      ARG  31 -13.476  -0.321  -1.637
  211   1HH2  ARG  31          HH21      ARG  31 -11.362  -1.952   0.610
  212   2HH2  ARG  31          HH22      ARG  31 -12.967  -1.367   0.325
  213    H    TYR  32           HN       TYR  32  -5.967  -1.429  -0.890
  214    HA   TYR  32           HA       TYR  32  -6.375  -4.188  -1.688
  215   1HB   TYR  32          HB2       TYR  32  -4.529  -3.336  -0.159
  216   2HB   TYR  32          HB1       TYR  32  -5.737  -3.131   1.086
  217    HD1  TYR  32           HD1      TYR  32  -6.664  -5.072   2.218
  218    HD2  TYR  32           HD2      TYR  32  -3.878  -5.569  -0.940
  219    HE1  TYR  32           HE1      TYR  32  -6.386  -7.423   2.854
  220    HE2  TYR  32           HE2      TYR  32  -3.557  -7.919  -0.298
  221    HH   TYR  32           HH       TYR  32  -5.456  -9.669   1.220
  222    H    PHE  33           HN       PHE  33  -7.794  -5.609  -0.492
  223    HA   PHE  33           HA       PHE  33 -10.405  -4.946  -0.584
  224   1HB   PHE  33          HB2       PHE  33  -9.308  -7.216  -0.205
  225   2HB   PHE  33          HB1       PHE  33  -9.350  -6.863   1.501
  226    HD1  PHE  33           HD1      PHE  33 -11.493  -6.875   2.702
  227    HD2  PHE  33           HD2      PHE  33 -11.323  -7.623  -1.473
  228    HE1  PHE  33           HE1      PHE  33 -13.773  -7.736   2.787
  229    HE2  PHE  33           HE2      PHE  33 -13.616  -8.493  -1.401
  230    HZ   PHE  33           HZ       PHE  33 -14.846  -8.550   0.729
  231    H    LEU  34           HN       LEU  34  -8.419  -4.702   2.385
  232    HA   LEU  34           HA       LEU  34 -10.689  -3.436   3.736
  233   1HB   LEU  34          HB2       LEU  34  -8.156  -4.600   4.807
  234   2HB   LEU  34          HB1       LEU  34  -9.310  -3.779   5.807
  235    HG   LEU  34           HG       LEU  34  -9.718  -6.031   6.170
  236   1HD1  LEU  34          HD11      LEU  34 -11.913  -6.462   5.289
  237   2HD1  LEU  34          HD12      LEU  34 -11.681  -5.279   4.008
  238   3HD1  LEU  34          HD13      LEU  34 -11.760  -4.754   5.687
  239   1HD2  LEU  34          HD21      LEU  34  -9.569  -6.499   3.219
  240   2HD2  LEU  34          HD22      LEU  34  -9.920  -7.718   4.417
  241   3HD2  LEU  34          HD23      LEU  34  -8.342  -6.933   4.383
  242    H    GLY  35           HN       GLY  35  -8.281  -2.181   1.918
  243   1HA   GLY  35          HA2       GLY  35  -8.651   0.379   2.685
  244   2HA   GLY  35          HA1       GLY  35  -7.423  -0.169   3.802
  245    H    THR  36           HN       THR  36  -5.823   1.144   3.132
  246    HA   THR  36           HA       THR  36  -5.179   1.294   0.290
  247    HB   THR  36           HB       THR  36  -3.849   2.833   2.543
  248    HG1  THR  36           HG1      THR  36  -6.293   3.479   1.184
  249   1HG2  THR  36          HG21      THR  36  -4.370   3.469  -0.367
  250   2HG2  THR  36          HG22      THR  36  -2.819   2.983   0.321
  251   3HG2  THR  36          HG23      THR  36  -3.554   4.513   0.796
  252    H    CYS  37           HN       CYS  37  -3.708  -0.066  -0.516
  253    HA   CYS  37           HA       CYS  37  -1.787  -1.394   1.199
  254   1HB   CYS  37          HB2       CYS  37  -2.924  -2.738  -0.414
  255   2HB   CYS  37          HB1       CYS  37  -2.431  -1.687  -1.710
  256    H    CYS  38           HN       CYS  38  -0.021  -0.272   1.730
  257    HA   CYS  38           HA       CYS  38   1.234   1.484  -0.279
  258   1HB   CYS  38          HB2       CYS  38   1.797   1.228   2.684
  259   2HB   CYS  38          HB1       CYS  38   2.450   2.424   1.574
  260    H    THR  39           HN       THR  39   2.716   0.465  -1.498
  261    HA   THR  39           HA       THR  39   4.327  -1.650  -0.237
  262    HB   THR  39           HB       THR  39   4.496  -2.541  -2.614
  263    HG1  THR  39           HG1      THR  39   2.162  -0.946  -3.017
  264   1HG2  THR  39          HG21      THR  39   2.162  -2.632  -0.801
  265   2HG2  THR  39          HG22      THR  39   3.217  -3.920  -1.375
  266   3HG2  THR  39          HG23      THR  39   1.954  -3.286  -2.426
  267    HA   PRO  40           HA       PRO  40   7.892   0.476  -1.967
  268   1HB   PRO  40          HB2       PRO  40   9.540  -0.004   0.186
  269   2HB   PRO  40          HB1       PRO  40   8.496   1.377   0.020
  270   1HG   PRO  40          HG2       PRO  40   8.236  -0.794   1.876
  271   2HG   PRO  40          HG1       PRO  40   7.339   0.719   1.801
  272   1HD   PRO  40          HD2       PRO  40   6.617  -1.929   0.805
  273   2HD   PRO  40          HD1       PRO  40   5.563  -0.577   1.154
  274    H    ALA  41           HN       ALA  41   9.238  -1.883   0.212
  275    HA   ALA  41           HA       ALA  41   9.239  -4.114  -1.508
  276   1HB   ALA  41          HB1       ALA  41  11.823  -2.556  -1.364
  277   2HB   ALA  41          HB2       ALA  41  10.802  -2.726  -2.790
  278   3HB   ALA  41          HB3       ALA  41  11.603  -4.141  -2.109
  279    H    ASP  42           HN       ASP  42   8.476  -3.965   1.070
  280    HA   ASP  42           HA       ASP  42  10.735  -5.182   2.541
  281   1HB   ASP  42          HB2       ASP  42   9.962  -4.241   4.570
  282   2HB   ASP  42          HB1       ASP  42  10.026  -2.931   3.401
  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1   0.541  -8.465  11.269
    2   2H    GLY   1           HT2      GLY   1   2.120  -8.921  11.667
    3   3H    GLY   1           HT3      GLY   1   1.175  -9.926  10.691
    4   1HA   GLY   1          HA1       GLY   1   2.164  -7.220   9.981
    5   2HA   GLY   1          HA2       GLY   1   2.808  -8.740   9.378
    6    H    THR   2           HN       THR   2   0.424  -6.326   8.979
    7    HA   THR   2           HA       THR   2  -1.243  -7.903   7.192
    8    HB   THR   2           HB       THR   2  -2.239  -5.505   6.786
    9    HG1  THR   2           HG1      THR   2  -1.051  -4.930   9.277
   10   1HG2  THR   2          HG21      THR   2  -3.365  -7.256   8.057
   11   2HG2  THR   2          HG22      THR   2  -3.582  -5.670   8.795
   12   3HG2  THR   2          HG23      THR   2  -2.426  -6.809   9.484
   13    H    ALA   3           HN       ALA   3   0.935  -8.355   6.054
   14    HA   ALA   3           HA       ALA   3   1.915  -6.282   4.347
   15   1HB   ALA   3          HB1       ALA   3   3.402  -7.970   5.285
   16   2HB   ALA   3          HB2       ALA   3   3.460  -7.965   3.524
   17   3HB   ALA   3          HB3       ALA   3   2.558  -9.222   4.375
   18    H    CYS   4           HN       CYS   4   1.894  -6.245   2.103
   19    HA   CYS   4           HA       CYS   4   0.171  -8.103   0.657
   20   1HB   CYS   4          HB2       CYS   4  -1.030  -6.226  -0.466
   21   2HB   CYS   4          HB1       CYS   4  -1.417  -6.392   1.237
   22    H    SER   5           HN       SER   5   0.462  -7.851  -1.722
   23    HA   SER   5           HA       SER   5   3.070  -6.616  -2.356
   24   1HB   SER   5          HB2       SER   5   3.541  -8.694  -3.728
   25   2HB   SER   5          HB1       SER   5   3.579  -8.894  -1.978
   26    HG   SER   5           HG       SER   5   2.380 -10.524  -3.226
   27    H    CYS   6           HN       CYS   6   3.213  -5.593  -4.221
   28    HA   CYS   6           HA       CYS   6   1.106  -5.979  -6.255
   29   1HB   CYS   6          HB2       CYS   6   2.317  -3.352  -5.358
   30   2HB   CYS   6          HB1       CYS   6   1.247  -3.556  -6.743
   31    H    GLY   7           HN       GLY   7   2.466  -7.352  -7.422
   32   1HA   GLY   7          HA2       GLY   7   3.940  -7.782  -9.106
   33   2HA   GLY   7          HA1       GLY   7   4.225  -6.053  -9.243
   34    H    ASN   8           HN       ASN   8   6.148  -5.278  -8.557
   35    HA   ASN   8           HA       ASN   8   7.958  -7.176  -7.196
   36   1HB   ASN   8          HB2       ASN   8   8.516  -4.706  -8.846
   37   2HB   ASN   8          HB1       ASN   8   9.753  -5.606  -7.975
   38   1HD2  ASN   8          HD21      ASN   8   7.659  -5.556 -10.738
   39   2HD2  ASN   8          HD22      ASN   8   8.336  -6.948 -11.504
   40    H    SER   9           HN       SER   9   5.951  -4.610  -6.491
   41    HA   SER   9           HA       SER   9   7.707  -3.583  -4.372
   42   1HB   SER   9          HB2       SER   9   5.084  -2.533  -5.451
   43   2HB   SER   9          HB1       SER   9   6.052  -1.774  -4.185
   44    HG   SER   9           HG       SER   9   6.458  -0.887  -6.271
   45    H    LYS  10           HN       LYS  10   7.416  -4.240  -2.332
   46    HA   LYS  10           HA       LYS  10   4.826  -5.476  -1.600
   47   1HB   LYS  10          HB2       LYS  10   5.841  -7.395  -1.186
   48   2HB   LYS  10          HB1       LYS  10   7.363  -6.741  -1.771
   49   1HG   LYS  10          HG2       LYS  10   7.915  -5.973   0.455
   50   2HG   LYS  10          HG1       LYS  10   6.371  -6.565   1.077
   51   1HD   LYS  10          HD2       LYS  10   6.965  -8.832   0.546
   52   2HD   LYS  10          HD1       LYS  10   8.472  -8.305  -0.208
   53   1HE   LYS  10          HE2       LYS  10   7.738  -7.985   2.701
   54   2HE   LYS  10          HE1       LYS  10   8.857  -9.173   2.036
   55   1HZ   LYS  10          HZ1       LYS  10   9.281  -6.259   1.714
   56   2HZ   LYS  10          HZ2       LYS  10  10.371  -7.504   1.446
   57   3HZ   LYS  10          HZ3       LYS  10   9.883  -7.131   3.018
   58    H    GLY  11           HN       GLY  11   4.047  -5.024   0.429
   59   1HA   GLY  11          HA2       GLY  11   5.603  -3.673   2.421
   60   2HA   GLY  11          HA1       GLY  11   4.581  -2.571   1.532
   61    H    ILE  12           HN       ILE  12   3.237  -2.010   3.161
   62    HA   ILE  12           HA       ILE  12   1.628  -4.180   4.382
   63    HB   ILE  12           HB       ILE  12   2.456  -1.552   5.645
   64   1HG1  ILE  12          HG12      ILE  12   4.396  -3.021   5.408
   65   2HG1  ILE  12          HG11      ILE  12   3.924  -2.884   7.095
   66   1HG2  ILE  12          HG21      ILE  12   1.598  -2.607   7.728
   67   2HG2  ILE  12          HG22      ILE  12   0.965  -3.927   6.750
   68   3HG2  ILE  12          HG23      ILE  12   0.355  -2.291   6.525
   69   1HD1  ILE  12          HD11      ILE  12   2.774  -5.083   6.881
   70   2HD1  ILE  12          HD12      ILE  12   4.514  -5.139   6.637
   71   3HD1  ILE  12          HD13      ILE  12   3.435  -5.201   5.255
   72    H    TYR  13           HN       TYR  13  -0.591  -3.864   4.510
   73    HA   TYR  13           HA       TYR  13  -1.561  -1.507   3.069
   74   1HB   TYR  13          HB2       TYR  13  -3.398  -2.647   2.385
   75   2HB   TYR  13          HB1       TYR  13  -2.286  -3.978   2.535
   76    HD1  TYR  13           HD1      TYR  13  -2.529  -5.640   4.318
   77    HD2  TYR  13           HD2      TYR  13  -5.284  -2.413   3.907
   78    HE1  TYR  13           HE1      TYR  13  -4.122  -6.819   5.766
   79    HE2  TYR  13           HE2      TYR  13  -6.854  -3.576   5.374
   80    HH   TYR  13           HH       TYR  13  -6.242  -5.820   7.384
   81    H    TRP  14           HN       TRP  14  -2.632   0.045   3.982
   82    HA   TRP  14           HA       TRP  14  -3.001  -0.003   6.891
   83   1HB   TRP  14          HB2       TRP  14  -3.067   2.255   4.867
   84   2HB   TRP  14          HB1       TRP  14  -3.279   2.453   6.604
   85    HD1  TRP  14           HD1      TRP  14  -0.516   0.764   4.407
   86    HE1  TRP  14           HE1      TRP  14   1.766   1.552   5.291
   87    HE3  TRP  14           HE3      TRP  14  -2.117   3.802   8.201
   88    HZ2  TRP  14           HZ2      TRP  14   2.755   3.250   7.314
   89    HZ3  TRP  14           HZ3      TRP  14  -0.435   4.982   9.553
   90    HH2  TRP  14           HH2      TRP  14   1.952   4.708   9.119
   91    H    PHE  15           HN       PHE  15  -5.011   0.773   7.790
   92    HA   PHE  15           HA       PHE  15  -7.292  -0.095   6.199
   93   1HB   PHE  15          HB2       PHE  15  -7.111   0.842   9.067
   94   2HB   PHE  15          HB1       PHE  15  -8.577   0.248   8.294
   95    HD1  PHE  15           HD1      PHE  15  -8.654  -2.118   7.472
   96    HD2  PHE  15           HD2      PHE  15  -5.512  -0.667   9.952
   97    HE1  PHE  15           HE1      PHE  15  -8.052  -4.427   8.054
   98    HE2  PHE  15           HE2      PHE  15  -4.907  -2.976  10.538
   99    HZ   PHE  15           HZ       PHE  15  -6.177  -4.861   9.587
  100    H    TYR  16           HN       TYR  16  -7.242   1.563   4.651
  101    HA   TYR  16           HA       TYR  16  -8.077   3.356   3.625
  102   1HB   TYR  16          HB2       TYR  16  -9.522   3.778   6.254
  103   2HB   TYR  16          HB1       TYR  16  -9.821   4.707   4.796
  104    HD1  TYR  16           HD1      TYR  16 -10.698   1.759   6.596
  105    HD2  TYR  16           HD2      TYR  16 -10.478   3.412   2.677
  106    HE1  TYR  16           HE1      TYR  16 -12.273   0.053   5.789
  107    HE2  TYR  16           HE2      TYR  16 -12.049   1.735   1.891
  108    HH   TYR  16           HH       TYR  16 -14.033   0.150   3.400
  109    H    ARG  17           HN       ARG  17  -6.041   4.280   3.380
  110    HA   ARG  17           HA       ARG  17  -5.669   6.711   4.993
  111   1HB   ARG  17          HB2       ARG  17  -3.580   4.676   4.273
  112   2HB   ARG  17          HB1       ARG  17  -3.140   6.345   4.610
  113   1HG   ARG  17          HG2       ARG  17  -4.584   4.500   6.509
  114   2HG   ARG  17          HG1       ARG  17  -2.875   4.914   6.548
  115   1HD   ARG  17          HD2       ARG  17  -3.440   7.272   6.888
  116   2HD   ARG  17          HD1       ARG  17  -5.153   6.855   6.857
  117    HE   ARG  17           HE       ARG  17  -3.704   5.392   8.843
  118   1HH1  ARG  17          HH11      ARG  17  -5.237   8.488   8.181
  119   2HH1  ARG  17          HH12      ARG  17  -5.567   8.793   9.845
  120   1HH2  ARG  17          HH21      ARG  17  -4.133   5.829  11.019
  121   2HH2  ARG  17          HH22      ARG  17  -4.941   7.296  11.461
  122    HA   PRO  18           HA       PRO  18  -5.996   7.902   0.568
  123   1HB   PRO  18          HB2       PRO  18  -6.891  10.428   1.848
  124   2HB   PRO  18          HB1       PRO  18  -7.659   9.459   0.586
  125   1HG   PRO  18          HG2       PRO  18  -8.629   9.525   3.074
  126   2HG   PRO  18          HG1       PRO  18  -8.671   8.041   2.103
  127   1HD   PRO  18          HD2       PRO  18  -6.784   8.816   4.301
  128   2HD   PRO  18          HD1       PRO  18  -7.575   7.255   3.984
  129    H    SER  19           HN       SER  19  -4.158   8.899   3.252
  130    HA   SER  19           HA       SER  19  -2.260  10.248   1.493
  131   1HB   SER  19          HB2       SER  19  -3.048  11.246   4.248
  132   2HB   SER  19          HB1       SER  19  -1.801  11.934   3.203
  133    HG   SER  19           HG       SER  19  -3.685  13.113   2.945
  134    H    CYS  20           HN       CYS  20  -1.683   7.877   1.692
  135    HA   CYS  20           HA       CYS  20  -0.688   6.828   4.081
  136   1HB   CYS  20          HB2       CYS  20  -1.292   5.514   2.079
  137   2HB   CYS  20          HB1       CYS  20   0.159   6.101   1.277
  138    HA   PRO  21           HA       PRO  21   2.986   9.373   4.389
  139   1HB   PRO  21          HB2       PRO  21   3.912   7.540   6.487
  140   2HB   PRO  21          HB1       PRO  21   3.386   9.216   6.601
  141   1HG   PRO  21          HG2       PRO  21   1.960   7.120   7.579
  142   2HG   PRO  21          HG1       PRO  21   1.231   8.647   7.054
  143   1HD   PRO  21          HD2       PRO  21   1.360   6.018   5.645
  144   2HD   PRO  21          HD1       PRO  21   0.060   7.226   5.715
  145    H    THR  22           HN       THR  22   4.342   9.075   2.692
  146    HA   THR  22           HA       THR  22   5.322   6.498   1.949
  147    HB   THR  22           HB       THR  22   6.558   7.786   0.166
  148    HG1  THR  22           HG1      THR  22   6.926   9.749   1.100
  149   1HG2  THR  22          HG21      THR  22   4.559   8.534  -1.011
  150   2HG2  THR  22          HG22      THR  22   3.627   8.426   0.481
  151   3HG2  THR  22          HG23      THR  22   4.298   6.972  -0.246
  152    H    ASP  23           HN       ASP  23   6.272   7.452   4.597
  153    HA   ASP  23           HA       ASP  23   8.951   8.332   4.291
  154   1HB   ASP  23          HB2       ASP  23   7.368   7.387   6.684
  155   2HB   ASP  23          HB1       ASP  23   9.042   7.922   6.802
  156    H    ARG  24           HN       ARG  24   7.467   5.210   4.426
  157    HA   ARG  24           HA       ARG  24   9.946   3.818   5.036
  158   1HB   ARG  24          HB2       ARG  24   7.656   2.922   5.612
  159   2HB   ARG  24          HB1       ARG  24   7.368   2.693   3.892
  160   1HG   ARG  24          HG2       ARG  24   9.313   1.176   3.805
  161   2HG   ARG  24          HG1       ARG  24   9.531   1.388   5.537
  162   1HD   ARG  24          HD2       ARG  24   7.024   0.301   4.259
  163   2HD   ARG  24          HD1       ARG  24   8.363  -0.679   4.842
  164    HE   ARG  24           HE       ARG  24   7.152   1.168   6.751
  165   1HH1  ARG  24          HH11      ARG  24   7.281  -2.127   5.531
  166   2HH1  ARG  24          HH12      ARG  24   6.699  -2.808   6.994
  167   1HH2  ARG  24          HH21      ARG  24   6.375   0.234   8.679
  168   2HH2  ARG  24          HH22      ARG  24   6.174  -1.484   8.778
  169    H    GLY  25           HN       GLY  25   8.867   5.588   2.474
  170   1HA   GLY  25          HA2       GLY  25   9.757   5.845   0.395
  171   2HA   GLY  25          HA1       GLY  25  10.688   4.367   0.613
  172    H    TYR  26           HN       TYR  26   7.189   5.010   0.881
  173    HA   TYR  26           HA       TYR  26   6.480   2.577  -0.308
  174   1HB   TYR  26          HB2       TYR  26   4.920   5.103   0.136
  175   2HB   TYR  26          HB1       TYR  26   4.177   3.666  -0.548
  176    HD1  TYR  26           HD1      TYR  26   3.753   5.267   2.195
  177    HD2  TYR  26           HD2      TYR  26   5.556   1.598   1.120
  178    HE1  TYR  26           HE1      TYR  26   3.310   4.389   4.446
  179    HE2  TYR  26           HE2      TYR  26   5.124   0.696   3.358
  180    HH   TYR  26           HH       TYR  26   4.682   2.192   5.874
  181    H    THR  27           HN       THR  27   6.250   1.899  -2.312
  182    HA   THR  27           HA       THR  27   6.842   3.775  -4.473
  183    HB   THR  27           HB       THR  27   6.666   0.743  -4.585
  184    HG1  THR  27           HG1      THR  27   8.961   2.411  -4.175
  185   1HG2  THR  27          HG21      THR  27   8.109   1.060  -6.576
  186   2HG2  THR  27          HG22      THR  27   7.867   2.800  -6.441
  187   3HG2  THR  27          HG23      THR  27   6.495   1.739  -6.768
  188    H    GLY  28           HN       GLY  28   4.470   1.233  -3.638
  189   1HA   GLY  28          HA2       GLY  28   2.633   2.433  -5.643
  190   2HA   GLY  28          HA1       GLY  28   2.735   0.720  -5.282
  191    H    SER  29           HN       SER  29   0.437   2.477  -5.177
  192    HA   SER  29           HA       SER  29  -0.335   1.952  -2.376
  193   1HB   SER  29          HB2       SER  29  -1.852   4.008  -2.629
  194   2HB   SER  29          HB1       SER  29  -0.130   4.296  -2.396
  195    HG   SER  29           HG       SER  29  -0.960   5.578  -4.084
  196    H    CYS  30           HN       CYS  30  -1.104  -0.038  -3.199
  197    HA   CYS  30           HA       CYS  30  -3.157  -0.036  -5.249
  198   1HB   CYS  30          HB2       CYS  30  -2.204  -2.310  -3.495
  199   2HB   CYS  30          HB1       CYS  30  -3.116  -2.439  -4.987
  200    H    ARG  31           HN       ARG  31  -5.304  -1.007  -4.868
  201    HA   ARG  31           HA       ARG  31  -6.376  -0.118  -2.295
  202   1HB   ARG  31          HB2       ARG  31  -7.627   0.605  -4.212
  203   2HB   ARG  31          HB1       ARG  31  -7.741  -1.041  -4.821
  204   1HG   ARG  31          HG2       ARG  31  -9.830  -0.333  -3.816
  205   2HG   ARG  31          HG1       ARG  31  -9.139  -1.669  -2.907
  206   1HD   ARG  31          HD2       ARG  31  -8.190   0.034  -1.324
  207   2HD   ARG  31          HD1       ARG  31  -9.086   1.247  -2.205
  208    HE   ARG  31           HE       ARG  31 -10.342  -1.045  -0.804
  209   1HH1  ARG  31          HH11      ARG  31 -10.260   2.383  -1.593
  210   2HH1  ARG  31          HH12      ARG  31 -11.691   2.728  -0.711
  211   1HH2  ARG  31          HH21      ARG  31 -12.247  -0.539   0.370
  212   2HH2  ARG  31          HH22      ARG  31 -12.864   1.078   0.337
  213    H    TYR  32           HN       TYR  32  -6.514  -1.509  -0.684
  214    HA   TYR  32           HA       TYR  32  -6.735  -4.393  -1.272
  215   1HB   TYR  32          HB2       TYR  32  -4.903  -3.304   0.287
  216   2HB   TYR  32          HB1       TYR  32  -6.197  -3.259   1.470
  217    HD1  TYR  32           HD1      TYR  32  -3.960  -5.410  -0.477
  218    HD2  TYR  32           HD2      TYR  32  -7.069  -5.348   2.427
  219    HE1  TYR  32           HE1      TYR  32  -3.461  -7.742   0.100
  220    HE2  TYR  32           HE2      TYR  32  -6.584  -7.684   3.006
  221    HH   TYR  32           HH       TYR  32  -5.223  -9.755   1.371
  222    H    PHE  33           HN       PHE  33  -8.302  -5.589   0.015
  223    HA   PHE  33           HA       PHE  33 -10.837  -4.622  -0.239
  224   1HB   PHE  33          HB2       PHE  33  -9.965  -6.620   1.842
  225   2HB   PHE  33          HB1       PHE  33 -11.594  -6.435   1.216
  226    HD1  PHE  33           HD1      PHE  33 -11.788  -6.657  -1.404
  227    HD2  PHE  33           HD2      PHE  33  -8.588  -8.219   0.940
  228    HE1  PHE  33           HE1      PHE  33 -11.273  -8.272  -3.183
  229    HE2  PHE  33           HE2      PHE  33  -8.074  -9.833  -0.839
  230    HZ   PHE  33           HZ       PHE  33  -9.416  -9.863  -2.903
  231    H    LEU  34           HN       LEU  34  -8.795  -4.307   2.648
  232    HA   LEU  34           HA       LEU  34 -10.967  -2.839   3.988
  233   1HB   LEU  34          HB2       LEU  34  -8.497  -4.081   5.163
  234   2HB   LEU  34          HB1       LEU  34  -9.743  -3.270   6.060
  235    HG   LEU  34           HG       LEU  34 -10.153  -5.523   6.415
  236   1HD1  LEU  34          HD11      LEU  34 -12.272  -5.971   5.400
  237   2HD1  LEU  34          HD12      LEU  34 -11.944  -4.846   4.085
  238   3HD1  LEU  34          HD13      LEU  34 -12.159  -4.245   5.731
  239   1HD2  LEU  34          HD21      LEU  34  -9.826  -6.048   3.487
  240   2HD2  LEU  34          HD22      LEU  34 -10.145  -7.239   4.717
  241   3HD2  LEU  34          HD23      LEU  34  -8.610  -6.374   4.697
  242    H    GLY  35           HN       GLY  35  -8.496  -1.926   2.074
  243   1HA   GLY  35          HA2       GLY  35  -8.583   0.691   2.742
  244   2HA   GLY  35          HA1       GLY  35  -7.359   0.056   3.810
  245    H    THR  36           HN       THR  36  -5.595   1.034   3.039
  246    HA   THR  36           HA       THR  36  -5.103   0.989   0.140
  247    HB   THR  36           HB       THR  36  -3.718   2.748   2.187
  248    HG1  THR  36           HG1      THR  36  -6.206   3.263   0.853
  249   1HG2  THR  36          HG21      THR  36  -2.757   2.662  -0.065
  250   2HG2  THR  36          HG22      THR  36  -3.469   4.239   0.276
  251   3HG2  THR  36          HG23      THR  36  -4.325   3.091  -0.752
  252    H    CYS  37           HN       CYS  37  -3.718  -0.525  -0.510
  253    HA   CYS  37           HA       CYS  37  -1.760  -1.704   1.240
  254   1HB   CYS  37          HB2       CYS  37  -2.858  -3.160  -0.288
  255   2HB   CYS  37          HB1       CYS  37  -2.441  -2.128  -1.638
  256    H    CYS  38           HN       CYS  38  -0.172  -0.294   1.779
  257    HA   CYS  38           HA       CYS  38   1.084   1.312  -0.319
  258   1HB   CYS  38          HB2       CYS  38   1.556   1.253   2.667
  259   2HB   CYS  38          HB1       CYS  38   2.231   2.409   1.526
  260    H    THR  39           HN       THR  39   2.536   0.244  -1.488
  261    HA   THR  39           HA       THR  39   4.235  -1.754  -0.170
  262    HB   THR  39           HB       THR  39   4.422  -2.625  -2.590
  263    HG1  THR  39           HG1      THR  39   1.959  -1.229  -2.888
  264   1HG2  THR  39          HG21      THR  39   2.186  -2.882  -0.675
  265   2HG2  THR  39          HG22      THR  39   3.272  -4.093  -1.339
  266   3HG2  THR  39          HG23      THR  39   1.938  -3.507  -2.305
  267    HA   PRO  40           HA       PRO  40   7.708   0.606  -1.835
  268   1HB   PRO  40          HB2       PRO  40   9.317   0.422   0.318
  269   2HB   PRO  40          HB1       PRO  40   8.018   1.567   0.225
  270   1HG   PRO  40          HG2       PRO  40   8.141  -0.861   1.845
  271   2HG   PRO  40          HG1       PRO  40   7.239   0.619   2.099
  272   1HD   PRO  40          HD2       PRO  40   6.336  -1.820   0.964
  273   2HD   PRO  40          HD1       PRO  40   5.381  -0.385   1.249
  274    H    ALA  41           HN       ALA  41   9.294  -1.470   0.391
  275    HA   ALA  41           HA       ALA  41   9.514  -3.742  -1.355
  276   1HB   ALA  41          HB1       ALA  41  11.279  -2.256  -2.190
  277   2HB   ALA  41          HB2       ALA  41  11.960  -3.681  -1.407
  278   3HB   ALA  41          HB3       ALA  41  11.951  -2.129  -0.565
  279    H    ASP  42           HN       ASP  42   8.656  -2.764   1.424
  280    HA   ASP  42           HA       ASP  42   9.795  -4.922   2.985
  281   1HB   ASP  42          HB2       ASP  42  10.393  -2.040   3.389
  282   2HB   ASP  42          HB1       ASP  42  10.011  -2.968   4.834
  Start of MODEL    6
    1   1H    GLY   1           HT1      GLY   1   1.650  -9.310  10.843
    2   2H    GLY   1           HT2      GLY   1   2.883  -8.323  11.446
    3   3H    GLY   1           HT3      GLY   1   2.953  -8.876   9.850
    4   1HA   GLY   1          HA1       GLY   1   0.933  -7.007  10.964
    5   2HA   GLY   1          HA2       GLY   1   2.286  -6.556   9.934
    6    H    THR   2           HN       THR   2   0.093  -5.717   8.914
    7    HA   THR   2           HA       THR   2  -1.306  -7.723   7.364
    8    HB   THR   2           HB       THR   2  -2.470  -5.639   6.440
    9    HG1  THR   2           HG1      THR   2  -1.263  -4.251   8.570
   10   1HG2  THR   2          HG21      THR   2  -3.411  -6.993   8.247
   11   2HG2  THR   2          HG22      THR   2  -3.769  -5.280   8.440
   12   3HG2  THR   2          HG23      THR   2  -2.500  -6.025   9.409
   13    H    ALA   3           HN       ALA   3   0.677  -8.468   6.309
   14    HA   ALA   3           HA       ALA   3   2.159  -6.841   4.558
   15   1HB   ALA   3          HB1       ALA   3   3.117  -8.905   3.719
   16   2HB   ALA   3          HB2       ALA   3   1.839  -9.834   4.507
   17   3HB   ALA   3          HB3       ALA   3   3.002  -8.932   5.478
   18    H    CYS   4           HN       CYS   4   2.049  -6.442   2.419
   19    HA   CYS   4           HA       CYS   4  -0.030  -7.700   0.781
   20   1HB   CYS   4          HB2       CYS   4  -1.119  -5.754   1.777
   21   2HB   CYS   4          HB1       CYS   4   0.186  -4.711   1.232
   22    H    SER   5           HN       SER   5   0.364  -7.412  -1.506
   23    HA   SER   5           HA       SER   5   2.988  -6.267  -2.171
   24   1HB   SER   5          HB2       SER   5   3.306  -8.678  -1.761
   25   2HB   SER   5          HB1       SER   5   2.092  -9.043  -2.985
   26    HG   SER   5           HG       SER   5   3.439  -8.306  -4.549
   27    H    CYS   6           HN       CYS   6   3.181  -5.420  -4.134
   28    HA   CYS   6           HA       CYS   6   0.917  -5.631  -6.020
   29   1HB   CYS   6          HB2       CYS   6   2.618  -3.183  -5.465
   30   2HB   CYS   6          HB1       CYS   6   1.386  -3.319  -6.715
   31    H    GLY   7           HN       GLY   7   2.145  -7.412  -6.898
   32   1HA   GLY   7          HA2       GLY   7   3.460  -8.254  -8.562
   33   2HA   GLY   7          HA1       GLY   7   3.865  -6.609  -9.031
   34    H    ASN   8           HN       ASN   8   5.737  -5.670  -8.250
   35    HA   ASN   8           HA       ASN   8   7.576  -7.492  -6.809
   36   1HB   ASN   8          HB2       ASN   8   8.088  -5.293  -8.810
   37   2HB   ASN   8          HB1       ASN   8   9.365  -5.964  -7.798
   38   1HD2  ASN   8          HD21      ASN   8   9.001  -6.010 -10.719
   39   2HD2  ASN   8          HD22      ASN   8   9.048  -7.684 -11.142
   40    H    SER   9           HN       SER   9   5.717  -4.688  -6.456
   41    HA   SER   9           HA       SER   9   7.506  -3.502  -4.474
   42   1HB   SER   9          HB2       SER   9   4.754  -2.668  -5.426
   43   2HB   SER   9          HB1       SER   9   5.749  -1.776  -4.275
   44    HG   SER   9           HG       SER   9   6.073  -0.905  -6.297
   45    H    LYS  10           HN       LYS  10   7.524  -4.566  -2.541
   46    HA   LYS  10           HA       LYS  10   4.949  -5.650  -1.570
   47   1HB   LYS  10          HB2       LYS  10   7.755  -6.387  -0.753
   48   2HB   LYS  10          HB1       LYS  10   6.278  -7.049  -0.057
   49   1HG   LYS  10          HG2       LYS  10   5.818  -7.637  -2.616
   50   2HG   LYS  10          HG1       LYS  10   7.576  -7.582  -2.671
   51   1HD   LYS  10          HD2       LYS  10   5.901  -9.248  -0.793
   52   2HD   LYS  10          HD1       LYS  10   6.769  -9.835  -2.209
   53   1HE   LYS  10          HE2       LYS  10   8.061  -8.565   0.213
   54   2HE   LYS  10          HE1       LYS  10   7.954 -10.289  -0.104
   55   1HZ   LYS  10          HZ1       LYS  10   9.229  -9.930  -2.156
   56   2HZ   LYS  10          HZ2       LYS  10  10.085  -9.489  -0.766
   57   3HZ   LYS  10          HZ3       LYS  10   9.406  -8.295  -1.747
   58    H    GLY  11           HN       GLY  11   4.189  -5.152   0.440
   59   1HA   GLY  11          HA2       GLY  11   5.691  -3.654   2.344
   60   2HA   GLY  11          HA1       GLY  11   4.629  -2.607   1.422
   61    H    ILE  12           HN       ILE  12   3.197  -2.072   2.972
   62    HA   ILE  12           HA       ILE  12   1.670  -4.265   4.256
   63    HB   ILE  12           HB       ILE  12   2.538  -1.625   5.473
   64   1HG1  ILE  12          HG12      ILE  12   4.394  -3.215   5.325
   65   2HG1  ILE  12          HG11      ILE  12   3.900  -2.991   6.997
   66   1HG2  ILE  12          HG21      ILE  12   1.586  -2.596   7.575
   67   2HG2  ILE  12          HG22      ILE  12   0.864  -3.865   6.594
   68   3HG2  ILE  12          HG23      ILE  12   0.394  -2.187   6.350
   69   1HD1  ILE  12          HD11      ILE  12   2.605  -5.124   6.819
   70   2HD1  ILE  12          HD12      ILE  12   4.346  -5.296   6.642
   71   3HD1  ILE  12          HD13      ILE  12   3.316  -5.337   5.227
   72    H    TYR  13           HN       TYR  13  -0.546  -4.037   4.255
   73    HA   TYR  13           HA       TYR  13  -1.547  -1.637   2.911
   74   1HB   TYR  13          HB2       TYR  13  -3.407  -2.755   2.218
   75   2HB   TYR  13          HB1       TYR  13  -2.228  -4.038   2.196
   76    HD1  TYR  13           HD1      TYR  13  -5.215  -2.719   3.868
   77    HD2  TYR  13           HD2      TYR  13  -2.375  -5.899   3.778
   78    HE1  TYR  13           HE1      TYR  13  -6.687  -4.086   5.268
   79    HE2  TYR  13           HE2      TYR  13  -3.864  -7.269   5.170
   80    HH   TYR  13           HH       TYR  13  -5.950  -6.472   6.989
   81    H    TRP  14           HN       TRP  14  -2.635  -0.141   3.909
   82    HA   TRP  14           HA       TRP  14  -2.958  -0.371   6.811
   83   1HB   TRP  14          HB2       TRP  14  -2.923   1.994   4.919
   84   2HB   TRP  14          HB1       TRP  14  -3.228   2.109   6.648
   85    HD1  TRP  14           HD1      TRP  14  -0.377   0.713   4.381
   86    HE1  TRP  14           HE1      TRP  14   1.862   1.261   5.536
   87    HE3  TRP  14           HE3      TRP  14  -2.169   2.963   8.603
   88    HZ2  TRP  14           HZ2      TRP  14   2.747   2.485   7.917
   89    HZ3  TRP  14           HZ3      TRP  14  -0.562   3.803  10.267
   90    HH2  TRP  14           HH2      TRP  14   1.846   3.566   9.933
   91    H    PHE  15           HN       PHE  15  -4.905   0.036   7.826
   92    HA   PHE  15           HA       PHE  15  -7.259  -0.518   6.252
   93   1HB   PHE  15          HB2       PHE  15  -6.889   0.086   9.190
   94   2HB   PHE  15          HB1       PHE  15  -8.446  -0.286   8.462
   95    HD1  PHE  15           HD1      PHE  15  -8.890  -2.522   7.553
   96    HD2  PHE  15           HD2      PHE  15  -5.294  -1.641   9.654
   97    HE1  PHE  15           HE1      PHE  15  -8.490  -4.927   7.869
   98    HE2  PHE  15           HE2      PHE  15  -4.890  -4.042   9.972
   99    HZ   PHE  15           HZ       PHE  15  -6.487  -5.690   9.081
  100    H    TYR  16           HN       TYR  16  -7.860   1.122   4.978
  101    HA   TYR  16           HA       TYR  16  -8.759   3.043   4.265
  102   1HB   TYR  16          HB2       TYR  16  -9.389   3.473   7.196
  103   2HB   TYR  16          HB1       TYR  16 -10.121   4.330   5.847
  104    HD1  TYR  16           HD1      TYR  16 -11.426   2.949   4.121
  105    HD2  TYR  16           HD2      TYR  16 -10.336   1.453   7.958
  106    HE1  TYR  16           HE1      TYR  16 -13.162   1.222   3.940
  107    HE2  TYR  16           HE2      TYR  16 -12.070  -0.276   7.779
  108    HH   TYR  16           HH       TYR  16 -14.510  -0.275   6.124
  109    H    ARG  17           HN       ARG  17  -6.577   3.711   3.677
  110    HA   ARG  17           HA       ARG  17  -5.885   6.222   5.052
  111   1HB   ARG  17          HB2       ARG  17  -3.931   4.070   4.234
  112   2HB   ARG  17          HB1       ARG  17  -3.449   5.720   4.604
  113   1HG   ARG  17          HG2       ARG  17  -4.773   3.797   6.507
  114   2HG   ARG  17          HG1       ARG  17  -3.066   4.240   6.481
  115   1HD   ARG  17          HD2       ARG  17  -3.690   6.576   6.913
  116   2HD   ARG  17          HD1       ARG  17  -5.372   6.106   7.038
  117    HE   ARG  17           HE       ARG  17  -3.217   5.554   8.932
  118   1HH1  ARG  17          HH11      ARG  17  -6.595   5.073   8.065
  119   2HH1  ARG  17          HH12      ARG  17  -7.046   4.608   9.657
  120   1HH2  ARG  17          HH21      ARG  17  -3.855   4.902  11.030
  121   2HH2  ARG  17          HH22      ARG  17  -5.512   4.500  11.335
  122    HA   PRO  18           HA       PRO  18  -6.704   6.603   0.452
  123   1HB   PRO  18          HB2       PRO  18  -7.586   9.264   1.495
  124   2HB   PRO  18          HB1       PRO  18  -8.344   8.200   0.303
  125   1HG   PRO  18          HG2       PRO  18  -9.319   8.395   2.766
  126   2HG   PRO  18          HG1       PRO  18  -9.278   6.834   1.924
  127   1HD   PRO  18          HD2       PRO  18  -7.498   7.867   4.093
  128   2HD   PRO  18          HD1       PRO  18  -8.137   6.237   3.825
  129    H    SER  19           HN       SER  19  -5.004   8.449   2.865
  130    HA   SER  19           HA       SER  19  -3.105   9.373   0.818
  131   1HB   SER  19          HB2       SER  19  -4.545  11.231   1.796
  132   2HB   SER  19          HB1       SER  19  -3.787  10.899   3.351
  133    HG   SER  19           HG       SER  19  -2.728  12.565   2.179
  134    H    CYS  20           HN       CYS  20  -1.909   7.509   1.205
  135    HA   CYS  20           HA       CYS  20  -1.400   6.458   3.718
  136   1HB   CYS  20          HB2       CYS  20  -1.224   5.240   1.591
  137   2HB   CYS  20          HB1       CYS  20   0.266   6.097   1.227
  138    HA   PRO  21           HA       PRO  21   1.920   9.161   5.108
  139   1HB   PRO  21          HB2       PRO  21   2.440   7.873   7.436
  140   2HB   PRO  21          HB1       PRO  21   1.011   8.882   7.203
  141   1HG   PRO  21          HG2       PRO  21   1.255   5.909   7.102
  142   2HG   PRO  21          HG1       PRO  21  -0.015   6.908   7.830
  143   1HD   PRO  21          HD2       PRO  21  -0.240   5.695   5.391
  144   2HD   PRO  21          HD1       PRO  21  -1.119   7.164   5.842
  145    H    THR  22           HN       THR  22   3.493   8.719   3.597
  146    HA   THR  22           HA       THR  22   4.814   6.191   3.488
  147    HB   THR  22           HB       THR  22   4.498   7.353   1.418
  148    HG1  THR  22           HG1      THR  22   6.576   7.199   0.631
  149   1HG2  THR  22          HG21      THR  22   6.257   9.496   1.414
  150   2HG2  THR  22          HG22      THR  22   5.393   9.664   2.940
  151   3HG2  THR  22          HG23      THR  22   4.500   9.568   1.426
  152    H    ASP  23           HN       ASP  23   5.670   5.860   5.493
  153    HA   ASP  23           HA       ASP  23   7.657   7.688   6.572
  154   1HB   ASP  23          HB2       ASP  23   7.834   6.082   8.396
  155   2HB   ASP  23          HB1       ASP  23   6.140   6.422   8.053
  156    H    ARG  24           HN       ARG  24   7.580   4.753   4.659
  157    HA   ARG  24           HA       ARG  24  10.534   4.689   4.714
  158   1HB   ARG  24          HB2       ARG  24  10.377   2.234   4.559
  159   2HB   ARG  24          HB1       ARG  24   9.704   2.881   6.049
  160   1HG   ARG  24          HG2       ARG  24   7.424   2.691   4.961
  161   2HG   ARG  24          HG1       ARG  24   8.221   1.797   3.665
  162   1HD   ARG  24          HD2       ARG  24   7.289   0.250   5.252
  163   2HD   ARG  24          HD1       ARG  24   9.050   0.195   5.336
  164    HE   ARG  24           HE       ARG  24   7.639   1.920   7.237
  165   1HH1  ARG  24          HH11      ARG  24   9.331  -1.104   6.713
  166   2HH1  ARG  24          HH12      ARG  24   9.579  -1.397   8.375
  167   1HH2  ARG  24          HH21      ARG  24   8.012   1.538   9.449
  168   2HH2  ARG  24          HH22      ARG  24   8.848   0.103   9.942
  169    H    GLY  25           HN       GLY  25   8.959   6.102   2.816
  170   1HA   GLY  25          HA2       GLY  25   8.921   6.444   0.574
  171   2HA   GLY  25          HA1       GLY  25  10.237   5.286   0.476
  172    H    TYR  26           HN       TYR  26   6.727   5.146   1.202
  173    HA   TYR  26           HA       TYR  26   6.315   2.634  -0.012
  174   1HB   TYR  26          HB2       TYR  26   4.434   4.935   0.541
  175   2HB   TYR  26          HB1       TYR  26   3.881   3.405  -0.129
  176    HD1  TYR  26           HD1      TYR  26   3.632   5.047   2.729
  177    HD2  TYR  26           HD2      TYR  26   5.283   1.409   1.369
  178    HE1  TYR  26           HE1      TYR  26   3.391   4.096   4.984
  179    HE2  TYR  26           HE2      TYR  26   5.049   0.427   3.605
  180    HH   TYR  26           HH       TYR  26   4.835   1.831   6.206
  181    H    THR  27           HN       THR  27   6.510   2.118  -2.085
  182    HA   THR  27           HA       THR  27   6.838   4.226  -4.018
  183    HB   THR  27           HB       THR  27   7.015   1.223  -4.462
  184    HG1  THR  27           HG1      THR  27   9.053   3.080  -3.657
  185   1HG2  THR  27          HG21      THR  27   8.567   1.906  -6.263
  186   2HG2  THR  27          HG22      THR  27   8.173   3.594  -5.945
  187   3HG2  THR  27          HG23      THR  27   6.927   2.490  -6.531
  188    H    GLY  28           HN       GLY  28   4.523   1.621  -3.420
  189   1HA   GLY  28          HA2       GLY  28   2.794   2.807  -5.518
  190   2HA   GLY  28          HA1       GLY  28   2.901   1.082  -5.208
  191    H    SER  29           HN       SER  29   0.559   2.677  -5.145
  192    HA   SER  29           HA       SER  29  -0.294   2.077  -2.388
  193   1HB   SER  29          HB2       SER  29  -1.043   4.569  -3.944
  194   2HB   SER  29          HB1       SER  29  -1.730   4.083  -2.393
  195    HG   SER  29           HG       SER  29   0.890   4.956  -2.974
  196    H    CYS  30           HN       CYS  30  -1.015   0.121  -3.331
  197    HA   CYS  30           HA       CYS  30  -3.042   0.213  -5.422
  198   1HB   CYS  30          HB2       CYS  30  -2.131  -2.155  -3.773
  199   2HB   CYS  30          HB1       CYS  30  -2.988  -2.185  -5.301
  200    H    ARG  31           HN       ARG  31  -5.212  -0.701  -5.071
  201    HA   ARG  31           HA       ARG  31  -6.191   0.028  -2.428
  202   1HB   ARG  31          HB2       ARG  31  -7.468   0.869  -4.316
  203   2HB   ARG  31          HB1       ARG  31  -7.713  -0.768  -4.913
  204   1HG   ARG  31          HG2       ARG  31  -9.683   0.101  -3.756
  205   2HG   ARG  31          HG1       ARG  31  -9.035  -1.323  -2.948
  206   1HD   ARG  31          HD2       ARG  31  -7.756   0.406  -1.471
  207   2HD   ARG  31          HD1       ARG  31  -8.897   1.542  -2.152
  208    HE   ARG  31           HE       ARG  31  -9.828  -0.888  -0.763
  209   1HH1  ARG  31          HH11      ARG  31  -9.623   2.616  -0.935
  210   2HH1  ARG  31          HH12      ARG  31 -10.795   2.849   0.296
  211   1HH2  ARG  31          HH21      ARG  31 -11.378  -0.540   0.882
  212   2HH2  ARG  31          HH22      ARG  31 -11.792   1.080   1.337
  213    H    TYR  32           HN       TYR  32  -6.505  -1.418  -0.891
  214    HA   TYR  32           HA       TYR  32  -6.744  -4.271  -1.630
  215   1HB   TYR  32          HB2       TYR  32  -4.843  -3.331  -0.078
  216   2HB   TYR  32          HB1       TYR  32  -6.097  -3.269   1.143
  217    HD1  TYR  32           HD1      TYR  32  -7.068  -5.355   2.022
  218    HD2  TYR  32           HD2      TYR  32  -4.001  -5.435  -0.909
  219    HE1  TYR  32           HE1      TYR  32  -6.676  -7.725   2.513
  220    HE2  TYR  32           HE2      TYR  32  -3.577  -7.804  -0.416
  221    HH   TYR  32           HH       TYR  32  -5.416  -9.780   0.778
  222    H    PHE  33           HN       PHE  33  -8.304  -5.488  -0.399
  223    HA   PHE  33           HA       PHE  33 -10.830  -4.500  -0.499
  224   1HB   PHE  33          HB2       PHE  33  -9.833  -6.607   1.419
  225   2HB   PHE  33          HB1       PHE  33 -11.523  -6.359   0.995
  226    HD1  PHE  33           HD1      PHE  33 -12.271  -6.806  -1.340
  227    HD2  PHE  33           HD2      PHE  33  -8.359  -7.812   0.020
  228    HE1  PHE  33           HE1      PHE  33 -12.001  -8.330  -3.248
  229    HE2  PHE  33           HE2      PHE  33  -8.088  -9.338  -1.885
  230    HZ   PHE  33           HZ       PHE  33  -9.909  -9.600  -3.525
  231    H    LEU  34           HN       LEU  34  -8.761  -4.473   2.405
  232    HA   LEU  34           HA       LEU  34 -10.861  -3.030   3.852
  233   1HB   LEU  34          HB2       LEU  34  -8.342  -4.327   4.826
  234   2HB   LEU  34          HB1       LEU  34  -9.478  -3.505   5.848
  235    HG   LEU  34           HG       LEU  34  -9.953  -5.754   6.163
  236   1HD1  LEU  34          HD11      LEU  34 -12.162  -6.065   5.338
  237   2HD1  LEU  34          HD12      LEU  34 -11.895  -4.947   4.003
  238   3HD1  LEU  34          HD13      LEU  34 -11.943  -4.348   5.664
  239   1HD2  LEU  34          HD21      LEU  34 -10.121  -6.315   3.240
  240   2HD2  LEU  34          HD22      LEU  34  -9.963  -7.440   4.567
  241   3HD2  LEU  34          HD23      LEU  34  -8.592  -6.441   4.093
  242    H    GLY  35           HN       GLY  35  -8.331  -2.050   1.965
  243   1HA   GLY  35          HA2       GLY  35  -8.487   0.573   2.693
  244   2HA   GLY  35          HA1       GLY  35  -7.255  -0.086   3.738
  245    H    THR  36           HN       THR  36  -5.550   1.026   2.962
  246    HA   THR  36           HA       THR  36  -5.060   0.959   0.069
  247    HB   THR  36           HB       THR  36  -3.779   2.737   2.169
  248    HG1  THR  36           HG1      THR  36  -6.035   3.240   0.469
  249   1HG2  THR  36          HG21      THR  36  -3.913   2.879  -0.851
  250   2HG2  THR  36          HG22      THR  36  -2.473   2.619   0.136
  251   3HG2  THR  36          HG23      THR  36  -3.314   4.165   0.195
  252    H    CYS  37           HN       CYS  37  -3.630  -0.417  -0.668
  253    HA   CYS  37           HA       CYS  37  -1.728  -1.743   1.037
  254   1HB   CYS  37          HB2       CYS  37  -2.905  -3.010  -0.648
  255   2HB   CYS  37          HB1       CYS  37  -2.286  -1.958  -1.894
  256    H    CYS  38           HN       CYS  38  -0.182  -0.325   1.692
  257    HA   CYS  38           HA       CYS  38   1.130   1.396  -0.272
  258   1HB   CYS  38          HB2       CYS  38   1.605   1.140   2.707
  259   2HB   CYS  38          HB1       CYS  38   2.185   2.398   1.632
  260    H    THR  39           HN       THR  39   2.661   0.435  -1.467
  261    HA   THR  39           HA       THR  39   4.372  -1.577  -0.173
  262    HB   THR  39           HB       THR  39   4.456  -2.567  -2.504
  263    HG1  THR  39           HG1      THR  39   2.061  -1.076  -2.877
  264   1HG2  THR  39          HG21      THR  39   2.067  -2.573  -0.712
  265   2HG2  THR  39          HG22      THR  39   3.273  -3.821  -0.974
  266   3HG2  THR  39          HG23      THR  39   2.080  -3.508  -2.202
  267    HA   PRO  40           HA       PRO  40   7.816   0.490  -2.169
  268   1HB   PRO  40          HB2       PRO  40   9.510   0.378  -0.023
  269   2HB   PRO  40          HB1       PRO  40   8.333   1.633  -0.276
  270   1HG   PRO  40          HG2       PRO  40   8.306  -0.416   1.753
  271   2HG   PRO  40          HG1       PRO  40   7.322   1.037   1.620
  272   1HD   PRO  40          HD2       PRO  40   6.710  -1.711   0.833
  273   2HD   PRO  40          HD1       PRO  40   5.599  -0.386   1.112
  274    H    ALA  41           HN       ALA  41   9.418  -1.443   0.185
  275    HA   ALA  41           HA       ALA  41   9.450  -3.885  -1.311
  276   1HB   ALA  41          HB1       ALA  41  11.890  -3.960  -1.541
  277   2HB   ALA  41          HB2       ALA  41  12.008  -2.310  -0.924
  278   3HB   ALA  41          HB3       ALA  41  11.209  -2.622  -2.465
  279    H    ASP  42           HN       ASP  42   8.356  -3.296   1.088
  280    HA   ASP  42           HA       ASP  42  10.311  -4.027   3.159
  281   1HB   ASP  42          HB2       ASP  42   8.856  -1.908   3.244
  282   2HB   ASP  42          HB1       ASP  42   7.503  -2.973   3.594
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1   1.928 -10.525   9.990
    2   2H    GLY   1           HT2      GLY   1   3.266  -9.726  10.645
    3   3H    GLY   1           HT3      GLY   1   3.097  -9.845   8.968
    4   1HA   GLY   1          HA1       GLY   1   1.314  -8.333  10.800
    5   2HA   GLY   1          HA2       GLY   1   2.528  -7.626   9.741
    6    H    THR   2           HN       THR   2   0.190  -6.575   9.303
    7    HA   THR   2           HA       THR   2  -1.385  -8.088   7.388
    8    HB   THR   2           HB       THR   2  -2.561  -5.820   7.136
    9    HG1  THR   2           HG1      THR   2  -1.069  -4.376   7.830
   10   1HG2  THR   2          HG21      THR   2  -3.436  -7.588   8.572
   11   2HG2  THR   2          HG22      THR   2  -3.705  -5.990   9.268
   12   3HG2  THR   2          HG23      THR   2  -2.407  -7.012   9.886
   13    H    ALA   3           HN       ALA   3   0.566  -8.496   6.063
   14    HA   ALA   3           HA       ALA   3   1.592  -6.236   4.564
   15   1HB   ALA   3          HB1       ALA   3   3.125  -7.919   5.438
   16   2HB   ALA   3          HB2       ALA   3   3.208  -7.806   3.681
   17   3HB   ALA   3          HB3       ALA   3   2.345  -9.146   4.442
   18    H    CYS   4           HN       CYS   4   1.864  -6.390   2.242
   19    HA   CYS   4           HA       CYS   4   0.121  -8.125   0.736
   20   1HB   CYS   4          HB2       CYS   4  -1.150  -6.318  -0.344
   21   2HB   CYS   4          HB1       CYS   4  -1.484  -6.400   1.377
   22    H    SER   5           HN       SER   5   0.437  -7.740  -1.640
   23    HA   SER   5           HA       SER   5   2.982  -6.374  -2.209
   24   1HB   SER   5          HB2       SER   5   3.573  -8.675  -1.678
   25   2HB   SER   5          HB1       SER   5   2.395  -9.272  -2.846
   26    HG   SER   5           HG       SER   5   4.821  -7.910  -3.313
   27    H    CYS   6           HN       CYS   6   3.165  -5.536  -4.163
   28    HA   CYS   6           HA       CYS   6   1.040  -6.031  -6.156
   29   1HB   CYS   6          HB2       CYS   6   2.495  -3.416  -5.667
   30   2HB   CYS   6          HB1       CYS   6   1.195  -3.715  -6.819
   31    H    GLY   7           HN       GLY   7   2.510  -7.716  -6.872
   32   1HA   GLY   7          HA2       GLY   7   4.016  -8.518  -8.374
   33   2HA   GLY   7          HA1       GLY   7   4.089  -6.902  -9.061
   34    H    ASN   8           HN       ASN   8   5.810  -5.609  -8.603
   35    HA   ASN   8           HA       ASN   8   8.099  -6.909  -7.353
   36   1HB   ASN   8          HB2       ASN   8   7.785  -4.303  -8.847
   37   2HB   ASN   8          HB1       ASN   8   9.304  -4.818  -8.118
   38   1HD2  ASN   8          HD21      ASN   8  10.391  -4.925 -10.045
   39   2HD2  ASN   8          HD22      ASN   8  10.060  -6.138 -11.229
   40    H    SER   9           HN       SER   9   5.847  -4.296  -6.678
   41    HA   SER   9           HA       SER   9   7.471  -3.298  -4.490
   42   1HB   SER   9          HB2       SER   9   4.661  -2.544  -5.339
   43   2HB   SER   9          HB1       SER   9   5.676  -1.672  -4.187
   44    HG   SER   9           HG       SER   9   5.990  -1.946  -6.976
   45    H    LYS  10           HN       LYS  10   7.300  -3.919  -2.397
   46    HA   LYS  10           HA       LYS  10   4.912  -5.483  -1.604
   47   1HB   LYS  10          HB2       LYS  10   6.329  -7.014  -0.384
   48   2HB   LYS  10          HB1       LYS  10   6.773  -6.979  -2.083
   49   1HG   LYS  10          HG2       LYS  10   8.679  -5.547  -1.558
   50   2HG   LYS  10          HG1       LYS  10   8.231  -5.571   0.138
   51   1HD   LYS  10          HD2       LYS  10   9.993  -7.146  -0.195
   52   2HD   LYS  10          HD1       LYS  10   8.506  -8.030   0.146
   53   1HE   LYS  10          HE2       LYS  10   9.733  -9.088  -1.651
   54   2HE   LYS  10          HE1       LYS  10   8.223  -8.441  -2.271
   55   1HZ   LYS  10          HZ1       LYS  10  10.210  -8.028  -3.682
   56   2HZ   LYS  10          HZ2       LYS  10  10.826  -7.016  -2.478
   57   3HZ   LYS  10          HZ3       LYS  10   9.373  -6.626  -3.256
   58    H    GLY  11           HN       GLY  11   4.083  -5.039   0.383
   59   1HA   GLY  11          HA2       GLY  11   5.581  -3.678   2.408
   60   2HA   GLY  11          HA1       GLY  11   4.551  -2.579   1.522
   61    H    ILE  12           HN       ILE  12   3.154  -2.079   3.119
   62    HA   ILE  12           HA       ILE  12   1.626  -4.272   4.392
   63    HB   ILE  12           HB       ILE  12   2.463  -1.629   5.612
   64   1HG1  ILE  12          HG12      ILE  12   4.396  -3.121   5.330
   65   2HG1  ILE  12          HG11      ILE  12   3.984  -2.919   7.026
   66   1HG2  ILE  12          HG21      ILE  12   1.065  -4.000   6.835
   67   2HG2  ILE  12          HG22      ILE  12   0.365  -2.419   6.528
   68   3HG2  ILE  12          HG23      ILE  12   1.646  -2.598   7.717
   69   1HD1  ILE  12          HD11      ILE  12   2.873  -5.111   7.001
   70   2HD1  ILE  12          HD12      ILE  12   4.569  -5.207   6.550
   71   3HD1  ILE  12          HD13      ILE  12   3.329  -5.301   5.312
   72    H    TYR  13           HN       TYR  13  -0.606  -3.977   4.600
   73    HA   TYR  13           HA       TYR  13  -1.631  -1.645   3.162
   74   1HB   TYR  13          HB2       TYR  13  -3.516  -2.792   2.579
   75   2HB   TYR  13          HB1       TYR  13  -2.350  -4.087   2.615
   76    HD1  TYR  13           HD1      TYR  13  -2.449  -5.837   4.303
   77    HD2  TYR  13           HD2      TYR  13  -5.273  -2.642   4.284
   78    HE1  TYR  13           HE1      TYR  13  -3.896  -7.106   5.830
   79    HE2  TYR  13           HE2      TYR  13  -6.681  -3.899   5.838
   80    HH   TYR  13           HH       TYR  13  -6.011  -6.035   7.674
   81    H    TRP  14           HN       TRP  14  -2.794  -0.125   4.077
   82    HA   TRP  14           HA       TRP  14  -3.194  -0.229   6.997
   83   1HB   TRP  14          HB2       TRP  14  -3.091   2.115   5.077
   84   2HB   TRP  14          HB1       TRP  14  -3.326   2.226   6.820
   85    HD1  TRP  14           HD1      TRP  14  -0.613   0.594   4.528
   86    HE1  TRP  14           HE1      TRP  14   1.689   1.170   5.520
   87    HE3  TRP  14           HE3      TRP  14  -2.135   3.335   8.568
   88    HZ2  TRP  14           HZ2      TRP  14   2.726   2.607   7.722
   89    HZ3  TRP  14           HZ3      TRP  14  -0.427   4.280  10.064
   90    HH2  TRP  14           HH2      TRP  14   1.954   3.925   9.649
   91    H    PHE  15           HN       PHE  15  -5.179   1.016   7.712
   92    HA   PHE  15           HA       PHE  15  -7.437   0.049   6.097
   93   1HB   PHE  15          HB2       PHE  15  -7.299   0.997   8.964
   94   2HB   PHE  15          HB1       PHE  15  -8.758   0.426   8.160
   95    HD1  PHE  15           HD1      PHE  15  -9.022  -1.926   7.578
   96    HD2  PHE  15           HD2      PHE  15  -5.586  -0.546   9.683
   97    HE1  PHE  15           HE1      PHE  15  -8.486  -4.241   8.212
   98    HE2  PHE  15           HE2      PHE  15  -5.047  -2.858  10.320
   99    HZ   PHE  15           HZ       PHE  15  -6.497  -4.710   9.587
  100    H    TYR  16           HN       TYR  16  -8.072   1.526   4.652
  101    HA   TYR  16           HA       TYR  16  -8.794   3.401   3.659
  102   1HB   TYR  16          HB2       TYR  16  -9.757   4.048   6.452
  103   2HB   TYR  16          HB1       TYR  16 -10.342   4.776   4.960
  104    HD1  TYR  16           HD1      TYR  16 -11.219   3.016   3.154
  105    HD2  TYR  16           HD2      TYR  16 -10.999   2.323   7.351
  106    HE1  TYR  16           HE1      TYR  16 -12.939   1.271   2.954
  107    HE2  TYR  16           HE2      TYR  16 -12.711   0.580   7.155
  108    HH   TYR  16           HH       TYR  16 -14.759   0.239   5.105
  109    H    ARG  17           HN       ARG  17  -6.474   4.010   3.382
  110    HA   ARG  17           HA       ARG  17  -5.917   6.509   4.843
  111   1HB   ARG  17          HB2       ARG  17  -3.917   4.559   3.729
  112   2HB   ARG  17          HB1       ARG  17  -3.521   6.121   4.439
  113   1HG   ARG  17          HG2       ARG  17  -4.842   3.816   5.866
  114   2HG   ARG  17          HG1       ARG  17  -3.153   4.307   6.004
  115   1HD   ARG  17          HD2       ARG  17  -3.761   6.393   6.981
  116   2HD   ARG  17          HD1       ARG  17  -5.475   6.099   6.714
  117    HE   ARG  17           HE       ARG  17  -4.605   4.000   8.260
  118   1HH1  ARG  17          HH11      ARG  17  -4.665   7.501   8.575
  119   2HH1  ARG  17          HH12      ARG  17  -4.915   7.447  10.280
  120   1HH2  ARG  17          HH21      ARG  17  -4.921   3.953  10.503
  121   2HH2  ARG  17          HH22      ARG  17  -5.061   5.439  11.383
  122    HA   PRO  18           HA       PRO  18  -6.703   8.092   0.698
  123   1HB   PRO  18          HB2       PRO  18  -6.026  10.664   2.025
  124   2HB   PRO  18          HB1       PRO  18  -7.482  10.188   1.144
  125   1HG   PRO  18          HG2       PRO  18  -7.479  10.460   3.805
  126   2HG   PRO  18          HG1       PRO  18  -8.445   9.209   2.998
  127   1HD   PRO  18          HD2       PRO  18  -5.832   8.956   4.437
  128   2HD   PRO  18          HD1       PRO  18  -7.255   7.889   4.448
  129    H    SER  19           HN       SER  19  -3.907   8.220   2.650
  130    HA   SER  19           HA       SER  19  -2.171   8.428   0.386
  131   1HB   SER  19          HB2       SER  19  -0.859  10.327   1.509
  132   2HB   SER  19          HB1       SER  19  -2.377  10.768   0.730
  133    HG   SER  19           HG       SER  19  -1.818  10.517   3.484
  134    H    CYS  20           HN       CYS  20  -0.363   7.260   0.767
  135    HA   CYS  20           HA       CYS  20  -0.191   5.828   3.249
  136   1HB   CYS  20          HB2       CYS  20   1.577   5.803   0.811
  137   2HB   CYS  20          HB1       CYS  20   1.768   4.732   2.191
  138    HA   PRO  21           HA       PRO  21   2.628   8.778   5.201
  139   1HB   PRO  21          HB2       PRO  21   3.239   6.471   6.979
  140   2HB   PRO  21          HB1       PRO  21   2.635   8.080   7.368
  141   1HG   PRO  21          HG2       PRO  21   1.077   5.904   7.492
  142   2HG   PRO  21          HG1       PRO  21   0.445   7.490   7.014
  143   1HD   PRO  21          HD2       PRO  21   1.137   5.131   5.311
  144   2HD   PRO  21          HD1       PRO  21  -0.215   6.277   5.180
  145    H    THR  22           HN       THR  22   4.094   8.812   3.491
  146    HA   THR  22           HA       THR  22   5.633   6.547   2.795
  147    HB   THR  22           HB       THR  22   4.846   8.102   1.102
  148    HG1  THR  22           HG1      THR  22   7.144   7.015   1.102
  149   1HG2  THR  22          HG21      THR  22   6.148  10.292   0.877
  150   2HG2  THR  22          HG22      THR  22   6.541  10.111   2.579
  151   3HG2  THR  22          HG23      THR  22   4.861  10.221   2.070
  152    H    ASP  23           HN       ASP  23   6.415   6.660   5.260
  153    HA   ASP  23           HA       ASP  23   8.897   8.135   5.538
  154   1HB   ASP  23          HB2       ASP  23   7.480   7.684   7.513
  155   2HB   ASP  23          HB1       ASP  23   7.708   5.954   7.281
  156    H    ARG  24           HN       ARG  24   7.767   4.857   4.848
  157    HA   ARG  24           HA       ARG  24  10.472   3.808   4.641
  158   1HB   ARG  24          HB2       ARG  24   7.839   2.506   3.910
  159   2HB   ARG  24          HB1       ARG  24   9.402   1.706   4.044
  160   1HG   ARG  24          HG2       ARG  24   9.429   2.261   6.453
  161   2HG   ARG  24          HG1       ARG  24   7.813   2.953   6.279
  162   1HD   ARG  24          HD2       ARG  24   7.083   0.708   5.359
  163   2HD   ARG  24          HD1       ARG  24   8.666   0.107   5.862
  164    HE   ARG  24           HE       ARG  24   7.142   1.416   7.946
  165   1HH1  ARG  24          HH11      ARG  24   7.901  -1.631   6.395
  166   2HH1  ARG  24          HH12      ARG  24   7.303  -2.582   7.693
  167   1HH2  ARG  24          HH21      ARG  24   6.336   0.150   9.656
  168   2HH2  ARG  24          HH22      ARG  24   6.405  -1.578   9.552
  169    H    GLY  25           HN       GLY  25   8.749   5.806   2.703
  170   1HA   GLY  25          HA2       GLY  25   9.054   6.465   0.558
  171   2HA   GLY  25          HA1       GLY  25  10.334   5.276   0.413
  172    H    TYR  26           HN       TYR  26   6.778   5.222   0.886
  173    HA   TYR  26           HA       TYR  26   6.406   2.766  -0.404
  174   1HB   TYR  26          HB2       TYR  26   4.469   5.030   0.093
  175   2HB   TYR  26          HB1       TYR  26   3.988   3.455  -0.531
  176    HD1  TYR  26           HD1      TYR  26   4.949   1.425   0.911
  177    HD2  TYR  26           HD2      TYR  26   4.205   5.322   2.389
  178    HE1  TYR  26           HE1      TYR  26   4.781   0.509   3.190
  179    HE2  TYR  26           HE2      TYR  26   4.022   4.414   4.667
  180    HH   TYR  26           HH       TYR  26   5.174   1.882   5.741
  181    H    THR  27           HN       THR  27   6.413   2.213  -2.473
  182    HA   THR  27           HA       THR  27   6.683   4.346  -4.459
  183    HB   THR  27           HB       THR  27   7.277   1.380  -4.757
  184    HG1  THR  27           HG1      THR  27   9.029   3.532  -4.010
  185   1HG2  THR  27          HG21      THR  27   8.746   2.165  -6.572
  186   2HG2  THR  27          HG22      THR  27   8.160   3.809  -6.328
  187   3HG2  THR  27          HG23      THR  27   7.055   2.551  -6.882
  188    H    GLY  28           HN       GLY  28   4.611   1.675  -3.579
  189   1HA   GLY  28          HA2       GLY  28   2.852   2.341  -5.866
  190   2HA   GLY  28          HA1       GLY  28   3.072   0.712  -5.250
  191    H    SER  29           HN       SER  29   0.786   2.768  -5.403
  192    HA   SER  29           HA       SER  29  -0.130   2.408  -2.607
  193   1HB   SER  29          HB2       SER  29  -0.900   4.584  -4.571
  194   2HB   SER  29          HB1       SER  29  -1.549   4.381  -2.942
  195    HG   SER  29           HG       SER  29   1.054   5.139  -3.731
  196    H    CYS  30           HN       CYS  30  -0.838   0.309  -3.216
  197    HA   CYS  30           HA       CYS  30  -2.867   0.071  -5.294
  198   1HB   CYS  30          HB2       CYS  30  -1.789  -1.992  -3.375
  199   2HB   CYS  30          HB1       CYS  30  -2.765  -2.312  -4.793
  200    H    ARG  31           HN       ARG  31  -4.949  -1.069  -4.762
  201    HA   ARG  31           HA       ARG  31  -5.991  -0.026  -2.206
  202   1HB   ARG  31          HB2       ARG  31  -7.141   0.691  -4.275
  203   2HB   ARG  31          HB1       ARG  31  -7.543  -0.982  -4.626
  204   1HG   ARG  31          HG2       ARG  31  -8.355   0.260  -2.007
  205   2HG   ARG  31          HG1       ARG  31  -9.279   0.578  -3.474
  206   1HD   ARG  31          HD2       ARG  31  -9.830  -1.675  -3.745
  207   2HD   ARG  31          HD1       ARG  31  -8.652  -2.229  -2.602
  208    HE   ARG  31           HE       ARG  31  -9.972  -1.213  -0.822
  209   1HH1  ARG  31          HH11      ARG  31 -11.558  -1.924  -3.882
  210   2HH1  ARG  31          HH12      ARG  31 -13.113  -2.046  -3.166
  211   1HH2  ARG  31          HH21      ARG  31 -12.050  -1.407   0.100
  212   2HH2  ARG  31          HH22      ARG  31 -13.409  -1.756  -0.916
  213    H    TYR  32           HN       TYR  32  -6.498  -1.375  -0.627
  214    HA   TYR  32           HA       TYR  32  -6.584  -4.273  -1.230
  215   1HB   TYR  32          HB2       TYR  32  -4.721  -3.281   0.269
  216   2HB   TYR  32          HB1       TYR  32  -5.970  -3.061   1.472
  217    HD1  TYR  32           HD1      TYR  32  -3.787  -5.433  -0.188
  218    HD2  TYR  32           HD2      TYR  32  -7.127  -5.073   2.415
  219    HE1  TYR  32           HE1      TYR  32  -3.468  -7.755   0.546
  220    HE2  TYR  32           HE2      TYR  32  -6.825  -7.391   3.147
  221    HH   TYR  32           HH       TYR  32  -5.389  -9.608   1.691
  222    H    PHE  33           HN       PHE  33  -8.163  -5.504  -0.085
  223    HA   PHE  33           HA       PHE  33 -10.714  -4.622  -0.182
  224   1HB   PHE  33          HB2       PHE  33  -9.652  -6.583   1.848
  225   2HB   PHE  33          HB1       PHE  33 -11.342  -6.416   1.409
  226    HD1  PHE  33           HD1      PHE  33 -11.812  -6.657  -1.192
  227    HD2  PHE  33           HD2      PHE  33  -8.406  -8.227   0.837
  228    HE1  PHE  33           HE1      PHE  33 -11.506  -8.309  -2.983
  229    HE2  PHE  33           HE2      PHE  33  -8.100  -9.879  -0.958
  230    HZ   PHE  33           HZ       PHE  33  -9.650  -9.923  -2.870
  231    H    LEU  34           HN       LEU  34  -8.649  -4.380   2.696
  232    HA   LEU  34           HA       LEU  34 -10.807  -3.085   4.157
  233   1HB   LEU  34          HB2       LEU  34  -8.116  -3.992   5.077
  234   2HB   LEU  34          HB1       LEU  34  -9.355  -3.369   6.111
  235    HG   LEU  34           HG       LEU  34  -9.497  -5.648   6.457
  236   1HD1  LEU  34          HD11      LEU  34 -11.591  -6.340   5.560
  237   2HD1  LEU  34          HD12      LEU  34 -11.463  -5.212   4.214
  238   3HD1  LEU  34          HD13      LEU  34 -11.670  -4.606   5.860
  239   1HD2  LEU  34          HD21      LEU  34  -9.357  -6.206   3.519
  240   2HD2  LEU  34          HD22      LEU  34  -9.290  -7.353   4.826
  241   3HD2  LEU  34          HD23      LEU  34  -7.958  -6.232   4.567
  242    H    GLY  35           HN       GLY  35  -8.258  -2.028   2.246
  243   1HA   GLY  35          HA2       GLY  35  -8.712   0.639   2.728
  244   2HA   GLY  35          HA1       GLY  35  -7.430   0.177   3.822
  245    H    THR  36           HN       THR  36  -5.547   0.843   3.081
  246    HA   THR  36           HA       THR  36  -5.124   0.887   0.161
  247    HB   THR  36           HB       THR  36  -3.642   2.581   2.193
  248    HG1  THR  36           HG1      THR  36  -6.094   3.220   0.849
  249   1HG2  THR  36          HG21      THR  36  -4.224   2.923  -0.755
  250   2HG2  THR  36          HG22      THR  36  -2.681   2.425  -0.057
  251   3HG2  THR  36          HG23      THR  36  -3.313   4.040   0.261
  252    H    CYS  37           HN       CYS  37  -3.630  -0.435  -0.624
  253    HA   CYS  37           HA       CYS  37  -1.800  -1.821   1.170
  254   1HB   CYS  37          HB2       CYS  37  -2.936  -3.171  -0.448
  255   2HB   CYS  37          HB1       CYS  37  -2.411  -2.148  -1.751
  256    H    CYS  38           HN       CYS  38  -0.244  -0.393   1.758
  257    HA   CYS  38           HA       CYS  38   1.029   1.307  -0.238
  258   1HB   CYS  38          HB2       CYS  38   1.558   1.063   2.733
  259   2HB   CYS  38          HB1       CYS  38   2.115   2.336   1.658
  260    H    THR  39           HN       THR  39   2.535   0.358  -1.466
  261    HA   THR  39           HA       THR  39   4.312  -1.632  -0.223
  262    HB   THR  39           HB       THR  39   4.450  -2.575  -2.558
  263    HG1  THR  39           HG1      THR  39   2.096  -1.032  -3.013
  264   1HG2  THR  39          HG21      THR  39   2.001  -2.603  -0.864
  265   2HG2  THR  39          HG22      THR  39   3.173  -3.875  -1.176
  266   3HG2  THR  39          HG23      THR  39   2.013  -3.447  -2.400
  267    HA   PRO  40           HA       PRO  40   7.672   0.690  -2.116
  268   1HB   PRO  40          HB2       PRO  40   9.405   0.441  -0.014
  269   2HB   PRO  40          HB1       PRO  40   8.228   1.726  -0.170
  270   1HG   PRO  40          HG2       PRO  40   8.250  -0.448   1.734
  271   2HG   PRO  40          HG1       PRO  40   7.230   0.989   1.695
  272   1HD   PRO  40          HD2       PRO  40   6.650  -1.714   0.779
  273   2HD   PRO  40          HD1       PRO  40   5.527  -0.416   1.121
  274    H    ALA  41           HN       ALA  41   8.968  -1.626   0.160
  275    HA   ALA  41           HA       ALA  41   9.422  -3.808  -1.520
  276   1HB   ALA  41          HB1       ALA  41  11.739  -1.902  -1.204
  277   2HB   ALA  41          HB2       ALA  41  10.909  -2.291  -2.710
  278   3HB   ALA  41          HB3       ALA  41  11.840  -3.532  -1.874
  279    H    ASP  42           HN       ASP  42   8.437  -3.442   1.004
  280    HA   ASP  42           HA       ASP  42  10.536  -3.732   2.972
  281   1HB   ASP  42          HB2       ASP  42   8.489  -2.351   3.340
  282   2HB   ASP  42          HB1       ASP  42   7.525  -3.821   3.320
  Start of MODEL    8
    1   1H    GLY   1           HT1      GLY   1   1.075  -8.780  11.680
    2   2H    GLY   1           HT2      GLY   1   2.623  -8.220  12.063
    3   3H    GLY   1           HT3      GLY   1   2.391  -9.175  10.688
    4   1HA   GLY   1          HA1       GLY   1   1.315  -6.444  11.122
    5   2HA   GLY   1          HA2       GLY   1   2.680  -6.854  10.091
    6    H    THR   2           HN       THR   2   0.372  -5.504   9.198
    7    HA   THR   2           HA       THR   2  -1.218  -7.460   7.722
    8    HB   THR   2           HB       THR   2  -2.278  -5.327   6.773
    9    HG1  THR   2           HG1      THR   2  -0.954  -3.997   8.890
   10   1HG2  THR   2          HG21      THR   2  -3.308  -6.601   8.579
   11   2HG2  THR   2          HG22      THR   2  -3.548  -4.868   8.780
   12   3HG2  THR   2          HG23      THR   2  -2.339  -5.702   9.750
   13    H    ALA   3           HN       ALA   3   0.880  -8.230   6.767
   14    HA   ALA   3           HA       ALA   3   2.357  -6.711   4.933
   15   1HB   ALA   3          HB1       ALA   3   3.212  -8.834   4.111
   16   2HB   ALA   3          HB2       ALA   3   1.917  -9.695   4.949
   17   3HB   ALA   3          HB3       ALA   3   3.139  -8.822   5.873
   18    H    CYS   4           HN       CYS   4   2.292  -6.519   2.714
   19    HA   CYS   4           HA       CYS   4   0.037  -7.644   1.232
   20   1HB   CYS   4          HB2       CYS   4  -0.831  -5.584   2.244
   21   2HB   CYS   4          HB1       CYS   4   0.473  -4.661   1.529
   22    H    SER   5           HN       SER   5   0.210  -7.155  -1.100
   23    HA   SER   5           HA       SER   5   2.865  -6.353  -2.020
   24   1HB   SER   5          HB2       SER   5   1.606  -9.020  -2.724
   25   2HB   SER   5          HB1       SER   5   3.163  -8.403  -3.285
   26    HG   SER   5           HG       SER   5   3.059  -9.926  -1.373
   27    H    CYS   6           HN       CYS   6   2.891  -5.572  -4.099
   28    HA   CYS   6           HA       CYS   6   0.591  -5.924  -5.824
   29   1HB   CYS   6          HB2       CYS   6   0.042  -3.935  -4.338
   30   2HB   CYS   6          HB1       CYS   6   1.392  -3.088  -5.085
   31    H    GLY   7           HN       GLY   7   1.404  -6.273  -7.796
   32   1HA   GLY   7          HA2       GLY   7   2.854  -6.327  -9.551
   33   2HA   GLY   7          HA1       GLY   7   3.385  -4.722  -9.065
   34    H    ASN   8           HN       ASN   8   5.506  -4.647  -8.712
   35    HA   ASN   8           HA       ASN   8   6.947  -7.073  -7.858
   36   1HB   ASN   8          HB2       ASN   8   7.808  -4.444  -9.052
   37   2HB   ASN   8          HB1       ASN   8   8.971  -5.504  -8.262
   38   1HD2  ASN   8          HD21      ASN   8  10.124  -5.885 -10.121
   39   2HD2  ASN   8          HD22      ASN   8   9.498  -6.848 -11.411
   40    H    SER   9           HN       SER   9   5.538  -4.320  -6.512
   41    HA   SER   9           HA       SER   9   7.581  -4.011  -4.459
   42   1HB   SER   9          HB2       SER   9   6.142  -2.084  -3.762
   43   2HB   SER   9          HB1       SER   9   6.773  -1.979  -5.396
   44    HG   SER   9           HG       SER   9   4.140  -2.758  -4.650
   45    H    LYS  10           HN       LYS  10   7.348  -4.527  -2.344
   46    HA   LYS  10           HA       LYS  10   4.773  -5.670  -1.465
   47   1HB   LYS  10          HB2       LYS  10   7.539  -6.781  -1.022
   48   2HB   LYS  10          HB1       LYS  10   6.160  -7.239  -0.026
   49   1HG   LYS  10          HG2       LYS  10   5.026  -7.950  -2.158
   50   2HG   LYS  10          HG1       LYS  10   6.567  -7.723  -2.966
   51   1HD   LYS  10          HD2       LYS  10   7.619  -9.373  -1.602
   52   2HD   LYS  10          HD1       LYS  10   6.202  -9.506  -0.558
   53   1HE   LYS  10          HE2       LYS  10   6.235 -11.389  -2.028
   54   2HE   LYS  10          HE1       LYS  10   4.908 -10.339  -2.515
   55   1HZ   LYS  10          HZ1       LYS  10   6.165 -11.169  -4.407
   56   2HZ   LYS  10          HZ2       LYS  10   7.578 -10.453  -3.819
   57   3HZ   LYS  10          HZ3       LYS  10   6.277  -9.485  -4.305
   58    H    GLY  11           HN       GLY  11   4.116  -5.133   0.556
   59   1HA   GLY  11          HA2       GLY  11   5.855  -3.852   2.453
   60   2HA   GLY  11          HA1       GLY  11   4.830  -2.727   1.606
   61    H    ILE  12           HN       ILE  12   3.327  -2.112   3.004
   62    HA   ILE  12           HA       ILE  12   1.796  -4.192   4.460
   63    HB   ILE  12           HB       ILE  12   2.726  -1.513   5.542
   64   1HG1  ILE  12          HG12      ILE  12   4.551  -3.131   5.476
   65   2HG1  ILE  12          HG11      ILE  12   4.060  -2.825   7.136
   66   1HG2  ILE  12          HG21      ILE  12   1.765  -2.345   7.691
   67   2HG2  ILE  12          HG22      ILE  12   1.022  -3.660   6.792
   68   3HG2  ILE  12          HG23      ILE  12   0.572  -1.995   6.449
   69   1HD1  ILE  12          HD11      ILE  12   2.560  -5.055   6.338
   70   2HD1  ILE  12          HD12      ILE  12   3.960  -5.015   7.400
   71   3HD1  ILE  12          HD13      ILE  12   4.174  -5.293   5.676
   72    H    TYR  13           HN       TYR  13  -0.421  -3.887   4.491
   73    HA   TYR  13           HA       TYR  13  -1.363  -1.512   3.033
   74   1HB   TYR  13          HB2       TYR  13  -3.260  -2.643   2.362
   75   2HB   TYR  13          HB1       TYR  13  -2.025  -3.859   2.266
   76    HD1  TYR  13           HD1      TYR  13  -5.090  -2.828   3.907
   77    HD2  TYR  13           HD2      TYR  13  -1.967  -5.728   3.917
   78    HE1  TYR  13           HE1      TYR  13  -6.439  -4.306   5.309
   79    HE2  TYR  13           HE2      TYR  13  -3.348  -7.216   5.293
   80    HH   TYR  13           HH       TYR  13  -5.631  -6.494   7.068
   81    H    TRP  14           HN       TRP  14  -2.735  -0.096   3.884
   82    HA   TRP  14           HA       TRP  14  -3.099  -0.225   6.800
   83   1HB   TRP  14          HB2       TRP  14  -3.191   2.123   4.880
   84   2HB   TRP  14          HB1       TRP  14  -3.407   2.192   6.622
   85    HD1  TRP  14           HD1      TRP  14  -0.606   0.679   4.373
   86    HE1  TRP  14           HE1      TRP  14   1.652   1.423   5.340
   87    HE3  TRP  14           HE3      TRP  14  -2.282   3.504   8.299
   88    HZ2  TRP  14           HZ2      TRP  14   2.604   3.009   7.469
   89    HZ3  TRP  14           HZ3      TRP  14  -0.631   4.611   9.741
   90    HH2  TRP  14           HH2      TRP  14   1.764   4.364   9.336
   91    H    PHE  15           HN       PHE  15  -5.118   0.170   7.721
   92    HA   PHE  15           HA       PHE  15  -7.360  -0.607   6.070
   93   1HB   PHE  15          HB2       PHE  15  -7.202   0.172   8.989
   94   2HB   PHE  15          HB1       PHE  15  -8.658  -0.413   8.191
   95    HD1  PHE  15           HD1      PHE  15  -5.560  -1.340   9.777
   96    HD2  PHE  15           HD2      PHE  15  -8.689  -2.731   7.251
   97    HE1  PHE  15           HE1      PHE  15  -4.901  -3.662  10.242
   98    HE2  PHE  15           HE2      PHE  15  -8.030  -5.057   7.708
   99    HZ   PHE  15           HZ       PHE  15  -6.136  -5.525   9.208
  100    H    TYR  16           HN       TYR  16  -7.786   1.013   4.651
  101    HA   TYR  16           HA       TYR  16  -8.630   2.888   3.775
  102   1HB   TYR  16          HB2       TYR  16  -9.923   2.994   6.504
  103   2HB   TYR  16          HB1       TYR  16 -10.340   4.090   5.193
  104    HD1  TYR  16           HD1      TYR  16 -11.172   3.074   2.997
  105    HD2  TYR  16           HD2      TYR  16 -10.973   0.880   6.645
  106    HE1  TYR  16           HE1      TYR  16 -12.786   1.452   2.106
  107    HE2  TYR  16           HE2      TYR  16 -12.586  -0.745   5.756
  108    HH   TYR  16           HH       TYR  16 -14.574  -0.406   3.661
  109    H    ARG  17           HN       ARG  17  -6.421   3.716   3.716
  110    HA   ARG  17           HA       ARG  17  -6.212   6.207   5.263
  111   1HB   ARG  17          HB2       ARG  17  -3.964   4.286   4.666
  112   2HB   ARG  17          HB1       ARG  17  -3.743   5.906   5.316
  113   1HG   ARG  17          HG2       ARG  17  -5.356   3.749   6.680
  114   2HG   ARG  17          HG1       ARG  17  -3.660   4.080   6.986
  115   1HD   ARG  17          HD2       ARG  17  -5.768   6.201   7.275
  116   2HD   ARG  17          HD1       ARG  17  -5.309   5.112   8.577
  117    HE   ARG  17           HE       ARG  17  -3.041   6.420   7.421
  118   1HH1  ARG  17          HH11      ARG  17  -5.720   6.912   9.640
  119   2HH1  ARG  17          HH12      ARG  17  -4.842   8.020  10.625
  120   1HH2  ARG  17          HH21      ARG  17  -1.897   7.888   8.745
  121   2HH2  ARG  17          HH22      ARG  17  -2.679   8.585  10.125
  122    HA   PRO  18           HA       PRO  18  -6.544   6.921   0.713
  123   1HB   PRO  18          HB2       PRO  18  -7.153   9.636   1.814
  124   2HB   PRO  18          HB1       PRO  18  -7.993   8.695   0.575
  125   1HG   PRO  18          HG2       PRO  18  -8.997   8.928   3.021
  126   2HG   PRO  18          HG1       PRO  18  -9.109   7.397   2.133
  127   1HD   PRO  18          HD2       PRO  18  -7.284   8.167   4.368
  128   2HD   PRO  18          HD1       PRO  18  -8.090   6.619   4.040
  129    H    SER  19           HN       SER  19  -4.724   8.608   3.191
  130    HA   SER  19           HA       SER  19  -2.953   9.777   1.152
  131   1HB   SER  19          HB2       SER  19  -4.010  11.297   2.854
  132   2HB   SER  19          HB1       SER  19  -3.127  10.434   4.110
  133    HG   SER  19           HG       SER  19  -2.108  12.390   3.263
  134    H    CYS  20           HN       CYS  20  -1.760   7.926   0.690
  135    HA   CYS  20           HA       CYS  20  -0.694   6.230   2.675
  136   1HB   CYS  20          HB2       CYS  20  -1.008   5.456   0.407
  137   2HB   CYS  20          HB1       CYS  20   0.155   6.632  -0.188
  138    HA   PRO  21           HA       PRO  21   2.370   9.170   4.117
  139   1HB   PRO  21          HB2       PRO  21   3.745   7.367   5.713
  140   2HB   PRO  21          HB1       PRO  21   2.280   8.229   6.182
  141   1HG   PRO  21          HG2       PRO  21   2.577   5.446   5.140
  142   2HG   PRO  21          HG1       PRO  21   1.544   6.053   6.448
  143   1HD   PRO  21          HD2       PRO  21   0.574   5.507   4.022
  144   2HD   PRO  21          HD1       PRO  21  -0.051   6.868   4.979
  145    H    THR  22           HN       THR  22   3.918   9.762   2.727
  146    HA   THR  22           HA       THR  22   5.460   7.785   1.265
  147    HB   THR  22           HB       THR  22   4.572   9.833   0.151
  148    HG1  THR  22           HG1      THR  22   7.434   9.728   0.136
  149   1HG2  THR  22          HG21      THR  22   5.519  11.985   0.534
  150   2HG2  THR  22          HG22      THR  22   6.678  11.345   1.692
  151   3HG2  THR  22          HG23      THR  22   4.962  11.381   2.090
  152    H    ASP  23           HN       ASP  23   5.812   8.189   4.223
  153    HA   ASP  23           HA       ASP  23   8.301   9.500   4.615
  154   1HB   ASP  23          HB2       ASP  23   6.597   7.765   6.413
  155   2HB   ASP  23          HB1       ASP  23   8.070   8.568   6.948
  156    H    ARG  24           HN       ARG  24   7.367   6.178   3.926
  157    HA   ARG  24           HA       ARG  24  10.189   5.395   4.363
  158   1HB   ARG  24          HB2       ARG  24   7.706   3.718   4.654
  159   2HB   ARG  24          HB1       ARG  24   9.341   3.075   4.662
  160   1HG   ARG  24          HG2       ARG  24   9.729   4.731   6.616
  161   2HG   ARG  24          HG1       ARG  24   7.964   4.775   6.703
  162   1HD   ARG  24          HD2       ARG  24   9.774   2.405   6.986
  163   2HD   ARG  24          HD1       ARG  24   8.744   3.106   8.220
  164    HE   ARG  24           HE       ARG  24   6.818   2.408   6.747
  165   1HH1  ARG  24          HH11      ARG  24   9.856   0.615   6.821
  166   2HH1  ARG  24          HH12      ARG  24   9.104  -0.830   6.333
  167   1HH2  ARG  24          HH21      ARG  24   5.897   0.451   6.021
  168   2HH2  ARG  24          HH22      ARG  24   6.895  -0.947   5.823
  169    H    GLY  25           HN       GLY  25   9.337   6.592   1.964
  170   1HA   GLY  25          HA2       GLY  25   9.602   6.301  -0.279
  171   2HA   GLY  25          HA1       GLY  25  10.692   5.018   0.208
  172    H    TYR  26           HN       TYR  26   7.265   4.786   0.919
  173    HA   TYR  26           HA       TYR  26   6.808   2.336  -0.264
  174   1HB   TYR  26          HB2       TYR  26   4.920   4.642   0.172
  175   2HB   TYR  26          HB1       TYR  26   4.392   3.039  -0.327
  176    HD1  TYR  26           HD1      TYR  26   5.277   5.102   2.458
  177    HD2  TYR  26           HD2      TYR  26   4.898   1.084   1.201
  178    HE1  TYR  26           HE1      TYR  26   5.140   4.400   4.810
  179    HE2  TYR  26           HE2      TYR  26   4.787   0.345   3.546
  180    HH   TYR  26           HH       TYR  26   3.959   1.850   5.897
  181    H    THR  27           HN       THR  27   6.856   1.699  -2.311
  182    HA   THR  27           HA       THR  27   7.253   3.635  -4.378
  183    HB   THR  27           HB       THR  27   7.100   0.611  -4.658
  184    HG1  THR  27           HG1      THR  27   9.359   2.262  -4.016
  185   1HG2  THR  27          HG21      THR  27   8.644   1.032  -6.543
  186   2HG2  THR  27          HG22      THR  27   8.440   2.766  -6.305
  187   3HG2  THR  27          HG23      THR  27   7.064   1.771  -6.785
  188    H    GLY  28           HN       GLY  28   4.843   1.106  -3.715
  189   1HA   GLY  28          HA2       GLY  28   3.078   2.380  -5.731
  190   2HA   GLY  28          HA1       GLY  28   3.147   0.654  -5.421
  191    H    SER  29           HN       SER  29   0.865   2.345  -5.307
  192    HA   SER  29           HA       SER  29   0.009   1.658  -2.596
  193   1HB   SER  29          HB2       SER  29   0.557   4.120  -2.700
  194   2HB   SER  29          HB1       SER  29  -0.759   4.292  -3.858
  195    HG   SER  29           HG       SER  29  -1.455   4.708  -1.726
  196    H    CYS  30           HN       CYS  30  -1.282   0.043  -3.170
  197    HA   CYS  30           HA       CYS  30  -3.215   0.453  -5.376
  198   1HB   CYS  30          HB2       CYS  30  -2.142  -2.140  -4.225
  199   2HB   CYS  30          HB1       CYS  30  -3.178  -1.956  -5.640
  200    H    ARG  31           HN       ARG  31  -5.387  -0.108  -5.022
  201    HA   ARG  31           HA       ARG  31  -6.196   0.157  -2.272
  202   1HB   ARG  31          HB2       ARG  31  -7.419   1.217  -4.156
  203   2HB   ARG  31          HB1       ARG  31  -7.945  -0.372  -4.691
  204   1HG   ARG  31          HG2       ARG  31  -8.495   0.540  -1.877
  205   2HG   ARG  31          HG1       ARG  31  -9.495   1.109  -3.212
  206   1HD   ARG  31          HD2       ARG  31 -10.324  -0.996  -3.671
  207   2HD   ARG  31          HD1       ARG  31  -9.007  -1.824  -2.918
  208    HE   ARG  31           HE       ARG  31  -9.890  -1.425  -0.791
  209   1HH1  ARG  31          HH11      ARG  31 -12.002  -0.305  -3.372
  210   2HH1  ARG  31          HH12      ARG  31 -13.402  -0.327  -2.376
  211   1HH2  ARG  31          HH21      ARG  31 -11.780  -1.444   0.502
  212   2HH2  ARG  31          HH22      ARG  31 -13.292  -0.959  -0.190
  213    H    TYR  32           HN       TYR  32  -6.059  -1.484  -0.968
  214    HA   TYR  32           HA       TYR  32  -6.423  -4.231  -1.920
  215   1HB   TYR  32          HB2       TYR  32  -4.509  -3.516  -0.446
  216   2HB   TYR  32          HB1       TYR  32  -5.648  -3.259   0.854
  217    HD1  TYR  32           HD1      TYR  32  -6.527  -5.147   2.076
  218    HD2  TYR  32           HD2      TYR  32  -4.071  -5.773  -1.339
  219    HE1  TYR  32           HE1      TYR  32  -6.321  -7.518   2.672
  220    HE2  TYR  32           HE2      TYR  32  -3.852  -8.147  -0.747
  221    HH   TYR  32           HH       TYR  32  -4.238  -9.416   1.958
  222    H    PHE  33           HN       PHE  33  -7.843  -5.638  -0.699
  223    HA   PHE  33           HA       PHE  33 -10.449  -4.948  -0.696
  224   1HB   PHE  33          HB2       PHE  33  -9.278  -6.849   1.335
  225   2HB   PHE  33          HB1       PHE  33 -10.923  -6.863   0.716
  226    HD1  PHE  33           HD1      PHE  33 -11.157  -7.200  -1.858
  227    HD2  PHE  33           HD2      PHE  33  -7.690  -8.210   0.378
  228    HE1  PHE  33           HE1      PHE  33 -10.456  -8.744  -3.634
  229    HE2  PHE  33           HE2      PHE  33  -6.972  -9.742  -1.394
  230    HZ   PHE  33           HZ       PHE  33  -8.362 -10.016  -3.408
  231    H    LEU  34           HN       LEU  34  -8.391  -4.770   2.213
  232    HA   LEU  34           HA       LEU  34 -10.582  -3.593   3.717
  233   1HB   LEU  34          HB2       LEU  34  -7.840  -4.435   4.520
  234   2HB   LEU  34          HB1       LEU  34  -8.968  -3.733   5.624
  235    HG   LEU  34           HG       LEU  34  -9.078  -6.017   6.059
  236   1HD1  LEU  34          HD11      LEU  34 -11.300  -6.651   5.508
  237   2HD1  LEU  34          HD12      LEU  34 -11.340  -5.566   4.121
  238   3HD1  LEU  34          HD13      LEU  34 -11.283  -4.907   5.759
  239   1HD2  LEU  34          HD21      LEU  34  -9.465  -6.681   3.169
  240   2HD2  LEU  34          HD22      LEU  34  -9.085  -7.756   4.499
  241   3HD2  LEU  34          HD23      LEU  34  -7.868  -6.630   3.904
  242    H    GLY  35           HN       GLY  35  -8.104  -2.297   1.811
  243   1HA   GLY  35          HA2       GLY  35  -8.790   0.297   2.312
  244   2HA   GLY  35          HA1       GLY  35  -7.561  -0.060   3.498
  245    H    THR  36           HN       THR  36  -5.760   0.899   2.922
  246    HA   THR  36           HA       THR  36  -5.120   1.080   0.054
  247    HB   THR  36           HB       THR  36  -3.998   2.798   2.286
  248    HG1  THR  36           HG1      THR  36  -6.331   2.929   2.240
  249   1HG2  THR  36          HG21      THR  36  -2.813   2.878   0.143
  250   2HG2  THR  36          HG22      THR  36  -3.657   4.392   0.463
  251   3HG2  THR  36          HG23      THR  36  -4.328   3.237  -0.688
  252    H    CYS  37           HN       CYS  37  -3.695  -0.414  -0.551
  253    HA   CYS  37           HA       CYS  37  -1.746  -1.481   1.278
  254   1HB   CYS  37          HB2       CYS  37  -2.855  -3.007  -0.173
  255   2HB   CYS  37          HB1       CYS  37  -2.368  -2.108  -1.587
  256    H    CYS  38           HN       CYS  38   0.049  -0.345   1.689
  257    HA   CYS  38           HA       CYS  38   1.261   1.187  -0.529
  258   1HB   CYS  38          HB2       CYS  38   1.650   1.390   2.460
  259   2HB   CYS  38          HB1       CYS  38   2.532   2.320   1.263
  260    H    THR  39           HN       THR  39   2.852   0.193  -1.554
  261    HA   THR  39           HA       THR  39   4.447  -1.795  -0.088
  262    HB   THR  39           HB       THR  39   4.597  -2.946  -2.329
  263    HG1  THR  39           HG1      THR  39   2.323  -1.346  -2.963
  264   1HG2  THR  39          HG21      THR  39   2.282  -2.809  -0.521
  265   2HG2  THR  39          HG22      THR  39   3.228  -4.185  -1.076
  266   3HG2  THR  39          HG23      THR  39   1.983  -3.518  -2.107
  267    HA   PRO  40           HA       PRO  40   7.973   0.212  -2.050
  268   1HB   PRO  40          HB2       PRO  40   9.633   0.041   0.114
  269   2HB   PRO  40          HB1       PRO  40   8.506   1.346  -0.143
  270   1HG   PRO  40          HG2       PRO  40   8.394  -0.732   1.872
  271   2HG   PRO  40          HG1       PRO  40   7.430   0.739   1.733
  272   1HD   PRO  40          HD2       PRO  40   6.782  -1.990   0.927
  273   2HD   PRO  40          HD1       PRO  40   5.697  -0.638   1.185
  274    H    ALA  41           HN       ALA  41   9.404  -1.832   0.336
  275    HA   ALA  41           HA       ALA  41   9.408  -4.262  -1.111
  276   1HB   ALA  41          HB1       ALA  41  11.817  -4.382  -1.559
  277   2HB   ALA  41          HB2       ALA  41  12.010  -2.716  -1.007
  278   3HB   ALA  41          HB3       ALA  41  11.072  -3.061  -2.459
  279    H    ASP  42           HN       ASP  42   8.742  -3.182   1.482
  280    HA   ASP  42           HA       ASP  42  10.823  -4.305   3.237
  281   1HB   ASP  42          HB2       ASP  42  10.498  -1.859   3.335
  282   2HB   ASP  42          HB1       ASP  42   8.807  -2.104   3.755
  Start of MODEL    9
    1   1H    GLY   1           HT1      GLY   1   1.980  -7.808  11.454
    2   2H    GLY   1           HT2      GLY   1   3.639  -8.115  11.564
    3   3H    GLY   1           HT3      GLY   1   2.632  -9.215  10.769
    4   1HA   GLY   1          HA1       GLY   1   3.232  -6.443   9.902
    5   2HA   GLY   1          HA2       GLY   1   3.892  -7.908   9.190
    6    H    THR   2           HN       THR   2   1.491  -5.615   8.932
    7    HA   THR   2           HA       THR   2  -0.533  -7.302   7.725
    8    HB   THR   2           HB       THR   2  -0.454  -4.297   7.378
    9    HG1  THR   2           HG1      THR   2  -0.999  -3.961   9.456
   10   1HG2  THR   2          HG21      THR   2  -2.415  -6.441   7.194
   11   2HG2  THR   2          HG22      THR   2  -2.472  -4.786   6.608
   12   3HG2  THR   2          HG23      THR   2  -2.925  -5.140   8.264
   13    H    ALA   3           HN       ALA   3   1.365  -8.162   6.392
   14    HA   ALA   3           HA       ALA   3   2.578  -6.640   4.418
   15   1HB   ALA   3          HB1       ALA   3   3.384  -8.741   3.520
   16   2HB   ALA   3          HB2       ALA   3   2.203  -9.619   4.496
   17   3HB   ALA   3          HB3       ALA   3   3.496  -8.711   5.279
   18    H    CYS   4           HN       CYS   4   2.195  -6.268   2.334
   19    HA   CYS   4           HA       CYS   4   0.051  -7.627   0.901
   20   1HB   CYS   4          HB2       CYS   4  -1.069  -5.708   1.928
   21   2HB   CYS   4          HB1       CYS   4   0.123  -4.612   1.259
   22    H    SER   5           HN       SER   5   0.185  -6.971  -1.488
   23    HA   SER   5           HA       SER   5   2.842  -6.015  -2.223
   24   1HB   SER   5          HB2       SER   5   3.044  -8.441  -1.897
   25   2HB   SER   5          HB1       SER   5   1.737  -8.709  -3.049
   26    HG   SER   5           HG       SER   5   3.678  -8.924  -4.125
   27    H    CYS   6           HN       CYS   6   3.033  -5.171  -4.213
   28    HA   CYS   6           HA       CYS   6   0.712  -5.244  -6.035
   29   1HB   CYS   6          HB2       CYS   6   2.465  -2.848  -5.430
   30   2HB   CYS   6          HB1       CYS   6   1.275  -2.928  -6.724
   31    H    GLY   7           HN       GLY   7   1.628  -6.840  -7.304
   32   1HA   GLY   7          HA2       GLY   7   2.893  -7.600  -9.056
   33   2HA   GLY   7          HA1       GLY   7   3.679  -6.028  -9.147
   34    H    ASN   8           HN       ASN   8   5.703  -5.818  -8.321
   35    HA   ASN   8           HA       ASN   8   6.845  -8.161  -6.913
   36   1HB   ASN   8          HB2       ASN   8   8.997  -7.451  -7.633
   37   2HB   ASN   8          HB1       ASN   8   7.949  -7.409  -9.047
   38   1HD2  ASN   8          HD21      ASN   8   7.388  -5.412  -9.947
   39   2HD2  ASN   8          HD22      ASN   8   8.227  -3.962  -9.524
   40    H    SER   9           HN       SER   9   5.732  -4.980  -6.485
   41    HA   SER   9           HA       SER   9   7.552  -4.227  -4.409
   42   1HB   SER   9          HB2       SER   9   4.861  -3.034  -5.150
   43   2HB   SER   9          HB1       SER   9   6.114  -2.278  -4.161
   44    HG   SER   9           HG       SER   9   7.388  -2.055  -5.934
   45    H    LYS  10           HN       LYS  10   7.325  -4.502  -2.250
   46    HA   LYS  10           HA       LYS  10   4.843  -5.788  -1.261
   47   1HB   LYS  10          HB2       LYS  10   7.696  -6.537  -0.637
   48   2HB   LYS  10          HB1       LYS  10   6.288  -7.224   0.156
   49   1HG   LYS  10          HG2       LYS  10   5.538  -8.245  -1.864
   50   2HG   LYS  10          HG1       LYS  10   6.793  -7.444  -2.808
   51   1HD   LYS  10          HD2       LYS  10   7.318  -9.409  -0.564
   52   2HD   LYS  10          HD1       LYS  10   7.281  -9.831  -2.276
   53   1HE   LYS  10          HE2       LYS  10   9.162  -7.799  -1.058
   54   2HE   LYS  10          HE1       LYS  10   9.560  -9.472  -1.402
   55   1HZ   LYS  10          HZ1       LYS  10  10.329  -8.142  -3.184
   56   2HZ   LYS  10          HZ2       LYS  10   8.831  -7.391  -3.378
   57   3HZ   LYS  10          HZ3       LYS  10   9.011  -9.030  -3.761
   58    H    GLY  11           HN       GLY  11   4.186  -5.194   0.773
   59   1HA   GLY  11          HA2       GLY  11   5.825  -3.786   2.621
   60   2HA   GLY  11          HA1       GLY  11   4.871  -2.659   1.679
   61    H    ILE  12           HN       ILE  12   3.441  -1.928   3.131
   62    HA   ILE  12           HA       ILE  12   1.865  -3.917   4.638
   63    HB   ILE  12           HB       ILE  12   2.713  -1.138   5.478
   64   1HG1  ILE  12          HG12      ILE  12   4.559  -2.764   5.559
   65   2HG1  ILE  12          HG11      ILE  12   4.075  -2.259   7.172
   66   1HG2  ILE  12          HG21      ILE  12   1.043  -3.200   6.889
   67   2HG2  ILE  12          HG22      ILE  12   0.550  -1.584   6.401
   68   3HG2  ILE  12          HG23      ILE  12   1.733  -1.793   7.683
   69   1HD1  ILE  12          HD11      ILE  12   3.354  -4.853   5.828
   70   2HD1  ILE  12          HD12      ILE  12   2.815  -4.352   7.429
   71   3HD1  ILE  12          HD13      ILE  12   4.525  -4.620   7.118
   72    H    TYR  13           HN       TYR  13  -0.347  -3.749   4.560
   73    HA   TYR  13           HA       TYR  13  -1.371  -1.430   3.085
   74   1HB   TYR  13          HB2       TYR  13  -3.126  -2.631   2.261
   75   2HB   TYR  13          HB1       TYR  13  -1.835  -3.792   2.225
   76    HD1  TYR  13           HD1      TYR  13  -5.036  -2.876   3.704
   77    HD2  TYR  13           HD2      TYR  13  -1.873  -5.737   3.767
   78    HE1  TYR  13           HE1      TYR  13  -6.459  -4.455   4.903
   79    HE2  TYR  13           HE2      TYR  13  -3.325  -7.321   4.945
   80    HH   TYR  13           HH       TYR  13  -6.292  -7.400   4.998
   81    H    TRP  14           HN       TRP  14  -2.685  -0.045   3.999
   82    HA   TRP  14           HA       TRP  14  -3.132  -0.287   6.874
   83   1HB   TRP  14          HB2       TRP  14  -3.542   2.045   4.980
   84   2HB   TRP  14          HB1       TRP  14  -3.655   2.105   6.738
   85    HD1  TRP  14           HD1      TRP  14  -1.026   1.581   3.948
   86    HE1  TRP  14           HE1      TRP  14   1.276   2.243   4.880
   87    HE3  TRP  14           HE3      TRP  14  -2.325   2.465   8.816
   88    HZ2  TRP  14           HZ2      TRP  14   2.398   3.043   7.332
   89    HZ3  TRP  14           HZ3      TRP  14  -0.573   3.180  10.388
   90    HH2  TRP  14           HH2      TRP  14   1.739   3.462   9.659
   91    H    PHE  15           HN       PHE  15  -5.284   0.498   7.709
   92    HA   PHE  15           HA       PHE  15  -7.359  -0.797   6.063
   93   1HB   PHE  15          HB2       PHE  15  -7.139  -0.335   9.030
   94   2HB   PHE  15          HB1       PHE  15  -8.594  -0.952   8.253
   95    HD1  PHE  15           HD1      PHE  15  -8.567  -3.138   7.127
   96    HD2  PHE  15           HD2      PHE  15  -5.233  -1.752   9.382
   97    HE1  PHE  15           HE1      PHE  15  -7.680  -5.429   7.213
   98    HE2  PHE  15           HE2      PHE  15  -4.347  -4.041   9.477
   99    HZ   PHE  15           HZ       PHE  15  -5.568  -5.882   8.390
  100    H    TYR  16           HN       TYR  16  -8.386   0.639   4.881
  101    HA   TYR  16           HA       TYR  16  -9.702   2.307   4.201
  102   1HB   TYR  16          HB2       TYR  16 -10.470   2.408   7.126
  103   2HB   TYR  16          HB1       TYR  16 -11.388   3.106   5.798
  104    HD1  TYR  16           HD1      TYR  16 -10.726   0.118   7.705
  105    HD2  TYR  16           HD2      TYR  16 -12.388   1.564   4.055
  106    HE1  TYR  16           HE1      TYR  16 -11.938  -1.998   7.420
  107    HE2  TYR  16           HE2      TYR  16 -13.601  -0.553   3.770
  108    HH   TYR  16           HH       TYR  16 -13.010  -3.190   4.885
  109    H    ARG  17           HN       ARG  17  -7.514   3.423   3.907
  110    HA   ARG  17           HA       ARG  17  -7.660   5.979   5.351
  111   1HB   ARG  17          HB2       ARG  17  -5.163   4.572   4.462
  112   2HB   ARG  17          HB1       ARG  17  -5.219   6.245   5.012
  113   1HG   ARG  17          HG2       ARG  17  -6.172   5.397   7.176
  114   2HG   ARG  17          HG1       ARG  17  -5.832   3.762   6.600
  115   1HD   ARG  17          HD2       ARG  17  -3.481   4.283   6.417
  116   2HD   ARG  17          HD1       ARG  17  -3.795   5.950   6.863
  117    HE   ARG  17           HE       ARG  17  -4.315   3.672   8.684
  118   1HH1  ARG  17          HH11      ARG  17  -2.949   6.858   8.080
  119   2HH1  ARG  17          HH12      ARG  17  -2.456   7.071   9.709
  120   1HH2  ARG  17          HH21      ARG  17  -3.640   3.995  10.848
  121   2HH2  ARG  17          HH22      ARG  17  -2.836   5.467  11.282
  122    HA   PRO  18           HA       PRO  18  -8.589   7.416   1.221
  123   1HB   PRO  18          HB2       PRO  18  -8.048  10.065   2.467
  124   2HB   PRO  18          HB1       PRO  18  -9.483   9.474   1.622
  125   1HG   PRO  18          HG2       PRO  18  -9.463   9.782   4.269
  126   2HG   PRO  18          HG1       PRO  18 -10.323   8.432   3.505
  127   1HD   PRO  18          HD2       PRO  18  -7.677   8.446   4.906
  128   2HD   PRO  18          HD1       PRO  18  -8.995   7.253   4.951
  129    H    SER  19           HN       SER  19  -5.645   7.917   2.973
  130    HA   SER  19           HA       SER  19  -4.267   8.597   0.479
  131   1HB   SER  19          HB2       SER  19  -2.865  10.215   1.757
  132   2HB   SER  19          HB1       SER  19  -4.557  10.698   1.648
  133    HG   SER  19           HG       SER  19  -3.157   9.664   3.868
  134    H    CYS  20           HN       CYS  20  -2.221   7.779   0.289
  135    HA   CYS  20           HA       CYS  20  -1.460   5.728   2.233
  136   1HB   CYS  20          HB2       CYS  20  -1.497   4.997  -0.052
  137   2HB   CYS  20          HB1       CYS  20  -0.435   6.314  -0.533
  138    HA   PRO  21           HA       PRO  21   1.295   8.898   3.894
  139   1HB   PRO  21          HB2       PRO  21   2.280   6.668   5.585
  140   2HB   PRO  21          HB1       PRO  21   1.548   8.206   6.039
  141   1HG   PRO  21          HG2       PRO  21   0.245   5.876   6.285
  142   2HG   PRO  21          HG1       PRO  21  -0.591   7.387   5.882
  143   1HD   PRO  21          HD2       PRO  21   0.216   5.128   4.090
  144   2HD   PRO  21          HD1       PRO  21  -1.279   6.088   4.123
  145    H    THR  22           HN       THR  22   2.717   9.195   2.165
  146    HA   THR  22           HA       THR  22   4.590   7.139   1.403
  147    HB   THR  22           HB       THR  22   5.532   9.034  -0.071
  148    HG1  THR  22           HG1      THR  22   4.835  10.860   0.947
  149   1HG2  THR  22          HG21      THR  22   3.968   7.363  -0.919
  150   2HG2  THR  22          HG22      THR  22   3.652   8.952  -1.614
  151   3HG2  THR  22          HG23      THR  22   2.610   8.327  -0.336
  152    H    ASP  23           HN       ASP  23   4.618   8.508   4.157
  153    HA   ASP  23           HA       ASP  23   7.204   9.727   4.337
  154   1HB   ASP  23          HB2       ASP  23   5.300  10.353   5.803
  155   2HB   ASP  23          HB1       ASP  23   5.314   8.737   6.497
  156    H    ARG  24           HN       ARG  24   5.983   6.572   4.149
  157    HA   ARG  24           HA       ARG  24   8.333   5.424   5.489
  158   1HB   ARG  24          HB2       ARG  24   5.571   4.451   4.935
  159   2HB   ARG  24          HB1       ARG  24   6.841   3.281   5.209
  160   1HG   ARG  24          HG2       ARG  24   6.204   5.511   7.137
  161   2HG   ARG  24          HG1       ARG  24   5.428   3.926   7.194
  162   1HD   ARG  24          HD2       ARG  24   8.389   4.429   7.356
  163   2HD   ARG  24          HD1       ARG  24   7.341   4.088   8.724
  164    HE   ARG  24           HE       ARG  24   6.812   1.932   7.425
  165   1HH1  ARG  24          HH11      ARG  24   9.976   3.478   7.483
  166   2HH1  ARG  24          HH12      ARG  24  10.813   1.994   7.259
  167   1HH2  ARG  24          HH21      ARG  24   7.956  -0.002   7.129
  168   2HH2  ARG  24          HH22      ARG  24   9.687   0.021   7.061
  169    H    GLY  25           HN       GLY  25   8.284   6.630   2.769
  170   1HA   GLY  25          HA2       GLY  25   9.291   6.212   0.790
  171   2HA   GLY  25          HA1       GLY  25  10.020   4.833   1.587
  172    H    TYR  26           HN       TYR  26   6.579   4.741   1.481
  173    HA   TYR  26           HA       TYR  26   6.425   2.362   0.094
  174   1HB   TYR  26          HB2       TYR  26   4.355   4.541   0.402
  175   2HB   TYR  26          HB1       TYR  26   3.999   2.932  -0.217
  176    HD1  TYR  26           HD1      TYR  26   3.450   4.744   2.525
  177    HD2  TYR  26           HD2      TYR  26   5.316   1.129   1.490
  178    HE1  TYR  26           HE1      TYR  26   3.084   3.918   4.811
  179    HE2  TYR  26           HE2      TYR  26   4.987   0.250   3.756
  180    HH   TYR  26           HH       TYR  26   4.550   1.812   6.257
  181    H    THR  27           HN       THR  27   6.342   1.784  -1.999
  182    HA   THR  27           HA       THR  27   6.876   3.858  -3.982
  183    HB   THR  27           HB       THR  27   7.022   0.833  -4.217
  184    HG1  THR  27           HG1      THR  27   9.087   2.780  -3.829
  185   1HG2  THR  27          HG21      THR  27   8.455   1.406  -6.201
  186   2HG2  THR  27          HG22      THR  27   7.825   3.048  -6.093
  187   3HG2  THR  27          HG23      THR  27   6.730   1.697  -6.400
  188    H    GLY  28           HN       GLY  28   4.705   1.055  -3.582
  189   1HA   GLY  28          HA2       GLY  28   2.964   2.161  -5.696
  190   2HA   GLY  28          HA1       GLY  28   3.005   0.497  -5.139
  191    H    SER  29           HN       SER  29   0.844   2.550  -5.320
  192    HA   SER  29           HA       SER  29  -0.172   2.212  -2.566
  193   1HB   SER  29          HB2       SER  29  -1.419   4.414  -3.014
  194   2HB   SER  29          HB1       SER  29   0.306   4.516  -2.671
  195    HG   SER  29           HG       SER  29  -0.117   5.789  -4.449
  196    H    CYS  30           HN       CYS  30  -1.225   0.342  -3.210
  197    HA   CYS  30           HA       CYS  30  -3.240   0.588  -5.355
  198   1HB   CYS  30          HB2       CYS  30  -2.383  -1.925  -3.916
  199   2HB   CYS  30          HB1       CYS  30  -3.216  -1.777  -5.452
  200    H    ARG  31           HN       ARG  31  -5.411   0.459  -4.906
  201    HA   ARG  31           HA       ARG  31  -6.170   0.598  -2.114
  202   1HB   ARG  31          HB2       ARG  31  -7.302   1.985  -3.818
  203   2HB   ARG  31          HB1       ARG  31  -7.957   0.535  -4.564
  204   1HG   ARG  31          HG2       ARG  31  -8.453   1.061  -1.647
  205   2HG   ARG  31          HG1       ARG  31  -9.370   1.943  -2.865
  206   1HD   ARG  31          HD2       ARG  31 -10.472   0.091  -3.596
  207   2HD   ARG  31          HD1       ARG  31  -9.209  -1.009  -3.166
  208    HE   ARG  31           HE       ARG  31  -9.922  -1.032  -0.936
  209   1HH1  ARG  31          HH11      ARG  31 -12.014   0.934  -2.962
  210   2HH1  ARG  31          HH12      ARG  31 -13.366   0.765  -1.915
  211   1HH2  ARG  31          HH21      ARG  31 -11.743  -1.254   0.433
  212   2HH2  ARG  31          HH22      ARG  31 -13.226  -0.461   0.014
  213    H    TYR  32           HN       TYR  32  -6.358  -1.157  -0.944
  214    HA   TYR  32           HA       TYR  32  -6.989  -3.724  -2.241
  215   1HB   TYR  32          HB2       TYR  32  -4.957  -3.123  -0.568
  216   2HB   TYR  32          HB1       TYR  32  -6.152  -3.576   0.629
  217    HD1  TYR  32           HD1      TYR  32  -4.659  -4.789  -2.578
  218    HD2  TYR  32           HD2      TYR  32  -6.314  -5.836   1.206
  219    HE1  TYR  32           HE1      TYR  32  -4.102  -7.143  -2.992
  220    HE2  TYR  32           HE2      TYR  32  -5.756  -8.197   0.797
  221    HH   TYR  32           HH       TYR  32  -3.716  -9.326  -0.991
  222    H    PHE  33           HN       PHE  33  -8.504  -5.140  -1.121
  223    HA   PHE  33           HA       PHE  33 -10.950  -4.007  -0.900
  224   1HB   PHE  33          HB2       PHE  33 -10.273  -6.488  -1.040
  225   2HB   PHE  33          HB1       PHE  33 -10.284  -6.472   0.711
  226    HD1  PHE  33           HD1      PHE  33 -12.336  -6.576   1.914
  227    HD2  PHE  33           HD2      PHE  33 -12.356  -5.963  -2.301
  228    HE1  PHE  33           HE1      PHE  33 -14.761  -6.953   1.872
  229    HE2  PHE  33           HE2      PHE  33 -14.782  -6.342  -2.345
  230    HZ   PHE  33           HZ       PHE  33 -15.988  -6.838  -0.258
  231    H    LEU  34           HN       LEU  34  -8.728  -4.593   1.822
  232    HA   LEU  34           HA       LEU  34 -10.705  -3.535   3.697
  233   1HB   LEU  34          HB2       LEU  34  -7.953  -4.609   4.148
  234   2HB   LEU  34          HB1       LEU  34  -9.021  -4.100   5.418
  235    HG   LEU  34           HG       LEU  34  -9.242  -6.387   5.478
  236   1HD1  LEU  34          HD11      LEU  34 -11.415  -5.602   3.545
  237   2HD1  LEU  34          HD12      LEU  34 -11.435  -5.277   5.277
  238   3HD1  LEU  34          HD13      LEU  34 -11.437  -6.938   4.691
  239   1HD2  LEU  34          HD21      LEU  34  -9.374  -6.535   2.478
  240   2HD2  LEU  34          HD22      LEU  34  -9.280  -7.866   3.613
  241   3HD2  LEU  34          HD23      LEU  34  -7.908  -6.780   3.416
  242    H    GLY  35           HN       GLY  35  -8.123  -2.229   1.846
  243   1HA   GLY  35          HA2       GLY  35  -8.550   0.354   2.690
  244   2HA   GLY  35          HA1       GLY  35  -7.323  -0.279   3.757
  245    H    THR  36           HN       THR  36  -5.503   0.688   3.182
  246    HA   THR  36           HA       THR  36  -4.988   1.137   0.322
  247    HB   THR  36           HB       THR  36  -3.446   2.488   2.537
  248    HG1  THR  36           HG1      THR  36  -6.108   3.199   1.741
  249   1HG2  THR  36          HG21      THR  36  -2.851   2.893   0.189
  250   2HG2  THR  36          HG22      THR  36  -3.492   4.344   0.959
  251   3HG2  THR  36          HG23      THR  36  -4.507   3.411  -0.139
  252    H    CYS  37           HN       CYS  37  -3.764  -0.465  -0.501
  253    HA   CYS  37           HA       CYS  37  -1.722  -1.805   1.035
  254   1HB   CYS  37          HB2       CYS  37  -3.054  -3.039  -0.588
  255   2HB   CYS  37          HB1       CYS  37  -2.454  -2.019  -1.869
  256    H    CYS  38           HN       CYS  38  -0.091  -0.440   1.577
  257    HA   CYS  38           HA       CYS  38   1.152   1.133  -0.573
  258   1HB   CYS  38          HB2       CYS  38   1.454   1.274   2.425
  259   2HB   CYS  38          HB1       CYS  38   2.280   2.278   1.260
  260    H    THR  39           HN       THR  39   2.807   0.186  -1.591
  261    HA   THR  39           HA       THR  39   4.417  -1.769  -0.087
  262    HB   THR  39           HB       THR  39   4.604  -2.955  -2.300
  263    HG1  THR  39           HG1      THR  39   2.368  -1.326  -3.017
  264   1HG2  THR  39          HG21      THR  39   3.170  -3.870  -0.651
  265   2HG2  THR  39          HG22      THR  39   2.282  -3.872  -2.165
  266   3HG2  THR  39          HG23      THR  39   1.939  -2.649  -0.945
  267    HA   PRO  40           HA       PRO  40   7.937   0.276  -2.016
  268   1HB   PRO  40          HB2       PRO  40   9.542   0.265   0.192
  269   2HB   PRO  40          HB1       PRO  40   8.353   1.498  -0.140
  270   1HG   PRO  40          HG2       PRO  40   8.290  -0.532   1.931
  271   2HG   PRO  40          HG1       PRO  40   7.318   0.919   1.759
  272   1HD   PRO  40          HD2       PRO  40   6.704  -1.827   1.021
  273   2HD   PRO  40          HD1       PRO  40   5.590  -0.496   1.185
  274    H    ALA  41           HN       ALA  41   9.347  -1.618   0.516
  275    HA   ALA  41           HA       ALA  41   9.497  -4.090  -0.897
  276   1HB   ALA  41          HB1       ALA  41  11.947  -4.163  -1.017
  277   2HB   ALA  41          HB2       ALA  41  12.032  -2.493  -0.449
  278   3HB   ALA  41          HB3       ALA  41  11.303  -2.857  -2.012
  279    H    ASP  42           HN       ASP  42   8.464  -3.037   1.570
  280    HA   ASP  42           HA       ASP  42  10.335  -3.661   3.664
  281   1HB   ASP  42          HB2       ASP  42   8.573  -1.793   3.658
  282   2HB   ASP  42          HB1       ASP  42   7.389  -3.046   4.011
  Start of MODEL   10
    1   1H    GLY   1           HT1      GLY   1   0.897  -8.489  11.559
    2   2H    GLY   1           HT2      GLY   1   2.527  -8.231  11.923
    3   3H    GLY   1           HT3      GLY   1   2.103  -9.273  10.662
    4   1HA   GLY   1          HA1       GLY   1   1.644  -6.343  10.744
    5   2HA   GLY   1          HA2       GLY   1   2.891  -7.160   9.808
    6    H    THR   2           HN       THR   2   0.407  -5.510   9.140
    7    HA   THR   2           HA       THR   2  -1.207  -7.377   7.608
    8    HB   THR   2           HB       THR   2  -2.302  -5.177   6.820
    9    HG1  THR   2           HG1      THR   2  -0.927  -3.978   8.977
   10   1HG2  THR   2          HG21      THR   2  -3.256  -6.577   8.589
   11   2HG2  THR   2          HG22      THR   2  -3.499  -4.859   8.898
   12   3HG2  THR   2          HG23      THR   2  -2.248  -5.741   9.773
   13    H    ALA   3           HN       ALA   3   0.823  -8.104   6.483
   14    HA   ALA   3           HA       ALA   3   2.062  -6.342   4.619
   15   1HB   ALA   3          HB1       ALA   3   3.249  -8.211   5.639
   16   2HB   ALA   3          HB2       ALA   3   3.292  -8.300   3.879
   17   3HB   ALA   3          HB3       ALA   3   2.199  -9.346   4.791
   18    H    CYS   4           HN       CYS   4   1.882  -6.214   2.424
   19    HA   CYS   4           HA       CYS   4   0.021  -7.953   1.000
   20   1HB   CYS   4          HB2       CYS   4  -1.210  -6.124  -0.010
   21   2HB   CYS   4          HB1       CYS   4  -1.378  -6.048   1.731
   22    H    SER   5           HN       SER   5   0.114  -7.271  -1.448
   23    HA   SER   5           HA       SER   5   2.789  -6.270  -2.136
   24   1HB   SER   5          HB2       SER   5   1.768  -8.978  -3.033
   25   2HB   SER   5          HB1       SER   5   3.305  -8.233  -3.477
   26    HG   SER   5           HG       SER   5   3.688  -9.638  -1.793
   27    H    CYS   6           HN       CYS   6   2.937  -5.319  -4.079
   28    HA   CYS   6           HA       CYS   6   0.622  -5.448  -5.913
   29   1HB   CYS   6          HB2       CYS   6   2.371  -3.058  -5.299
   30   2HB   CYS   6          HB1       CYS   6   1.193  -3.130  -6.602
   31    H    GLY   7           HN       GLY   7   1.790  -7.241  -6.867
   32   1HA   GLY   7          HA2       GLY   7   3.010  -8.065  -8.609
   33   2HA   GLY   7          HA1       GLY   7   3.379  -6.411  -9.078
   34    H    ASN   8           HN       ASN   8   5.321  -5.515  -8.486
   35    HA   ASN   8           HA       ASN   8   7.313  -7.381  -7.383
   36   1HB   ASN   8          HB2       ASN   8   7.841  -6.263  -9.499
   37   2HB   ASN   8          HB1       ASN   8   7.647  -4.690  -8.735
   38   1HD2  ASN   8          HD21      ASN   8   9.310  -3.870  -7.490
   39   2HD2  ASN   8          HD22      ASN   8  10.843  -4.653  -7.348
   40    H    SER   9           HN       SER   9   5.512  -4.524  -6.570
   41    HA   SER   9           HA       SER   9   7.331  -3.660  -4.521
   42   1HB   SER   9          HB2       SER   9   4.478  -2.811  -5.075
   43   2HB   SER   9          HB1       SER   9   5.645  -1.968  -4.057
   44    HG   SER   9           HG       SER   9   5.633  -1.023  -6.083
   45    H    LYS  10           HN       LYS  10   7.388  -4.339  -2.460
   46    HA   LYS  10           HA       LYS  10   5.105  -5.937  -1.430
   47   1HB   LYS  10          HB2       LYS  10   8.027  -6.227  -0.697
   48   2HB   LYS  10          HB1       LYS  10   6.690  -7.258  -0.192
   49   1HG   LYS  10          HG2       LYS  10   6.398  -8.055  -2.454
   50   2HG   LYS  10          HG1       LYS  10   7.649  -6.951  -3.036
   51   1HD   LYS  10          HD2       LYS  10   9.274  -8.102  -1.534
   52   2HD   LYS  10          HD1       LYS  10   8.007  -9.263  -1.130
   53   1HE   LYS  10          HE2       LYS  10   9.059  -8.746  -3.913
   54   2HE   LYS  10          HE1       LYS  10   9.570 -10.068  -2.867
   55   1HZ   LYS  10          HZ1       LYS  10   6.833  -9.633  -3.934
   56   2HZ   LYS  10          HZ2       LYS  10   7.261 -10.864  -2.854
   57   3HZ   LYS  10          HZ3       LYS  10   7.923 -10.834  -4.409
   58    H    GLY  11           HN       GLY  11   4.215  -5.233   0.463
   59   1HA   GLY  11          HA2       GLY  11   5.747  -3.755   2.397
   60   2HA   GLY  11          HA1       GLY  11   4.706  -2.721   1.448
   61    H    ILE  12           HN       ILE  12   3.311  -2.092   2.979
   62    HA   ILE  12           HA       ILE  12   1.772  -4.184   4.404
   63    HB   ILE  12           HB       ILE  12   2.711  -1.495   5.444
   64   1HG1  ILE  12          HG12      ILE  12   4.546  -3.105   5.324
   65   2HG1  ILE  12          HG11      ILE  12   4.111  -2.783   6.996
   66   1HG2  ILE  12          HG21      ILE  12   1.827  -2.322   7.625
   67   2HG2  ILE  12          HG22      ILE  12   1.064  -3.644   6.757
   68   3HG2  ILE  12          HG23      ILE  12   0.594  -1.985   6.420
   69   1HD1  ILE  12          HD11      ILE  12   2.698  -4.946   6.814
   70   2HD1  ILE  12          HD12      ILE  12   4.445  -5.066   6.931
   71   3HD1  ILE  12          HD13      ILE  12   3.662  -5.243   5.373
   72    H    TYR  13           HN       TYR  13  -0.442  -3.927   4.436
   73    HA   TYR  13           HA       TYR  13  -1.470  -1.556   3.058
   74   1HB   TYR  13          HB2       TYR  13  -3.455  -2.692   2.570
   75   2HB   TYR  13          HB1       TYR  13  -2.204  -3.854   2.272
   76    HD1  TYR  13           HD1      TYR  13  -1.900  -5.801   3.739
   77    HD2  TYR  13           HD2      TYR  13  -5.058  -3.009   4.360
   78    HE1  TYR  13           HE1      TYR  13  -3.035  -7.420   5.187
   79    HE2  TYR  13           HE2      TYR  13  -6.180  -4.619   5.840
   80    HH   TYR  13           HH       TYR  13  -5.085  -6.842   7.333
   81    H    TRP  14           HN       TRP  14  -2.823  -0.157   3.992
   82    HA   TRP  14           HA       TRP  14  -3.098  -0.362   6.926
   83   1HB   TRP  14          HB2       TRP  14  -2.968   2.032   5.072
   84   2HB   TRP  14          HB1       TRP  14  -3.262   2.130   6.807
   85    HD1  TRP  14           HD1      TRP  14  -0.502   0.620   4.501
   86    HE1  TRP  14           HE1      TRP  14   1.772   1.029   5.630
   87    HE3  TRP  14           HE3      TRP  14  -2.119   2.958   8.747
   88    HZ2  TRP  14           HZ2      TRP  14   2.755   2.195   8.012
   89    HZ3  TRP  14           HZ3      TRP  14  -0.451   3.694  10.399
   90    HH2  TRP  14           HH2      TRP  14   1.937   3.322  10.036
   91    H    PHE  15           HN       PHE  15  -5.084   0.249   7.874
   92    HA   PHE  15           HA       PHE  15  -7.323  -0.507   6.227
   93   1HB   PHE  15          HB2       PHE  15  -7.122   0.298   9.131
   94   2HB   PHE  15          HB1       PHE  15  -8.636  -0.163   8.359
   95    HD1  PHE  15           HD1      PHE  15  -9.012  -2.457   7.605
   96    HD2  PHE  15           HD2      PHE  15  -5.438  -1.356   9.648
   97    HE1  PHE  15           HE1      PHE  15  -8.522  -4.826   8.023
   98    HE2  PHE  15           HE2      PHE  15  -4.948  -3.724  10.069
   99    HZ   PHE  15           HZ       PHE  15  -6.487  -5.466   9.255
  100    H    TYR  16           HN       TYR  16  -7.521   1.094   4.716
  101    HA   TYR  16           HA       TYR  16  -8.411   2.889   3.733
  102   1HB   TYR  16          HB2       TYR  16  -9.804   3.220   6.399
  103   2HB   TYR  16          HB1       TYR  16 -10.221   4.093   4.933
  104    HD1  TYR  16           HD1      TYR  16 -10.783   1.112   6.823
  105    HD2  TYR  16           HD2      TYR  16 -10.914   2.716   2.878
  106    HE1  TYR  16           HE1      TYR  16 -12.286  -0.706   6.135
  107    HE2  TYR  16           HE2      TYR  16 -12.415   0.904   2.187
  108    HH   TYR  16           HH       TYR  16 -14.198  -0.761   3.885
  109    H    ARG  17           HN       ARG  17  -6.033   3.525   3.986
  110    HA   ARG  17           HA       ARG  17  -5.811   6.020   5.499
  111   1HB   ARG  17          HB2       ARG  17  -3.810   4.093   4.445
  112   2HB   ARG  17          HB1       ARG  17  -3.335   5.781   4.543
  113   1HG   ARG  17          HG2       ARG  17  -4.297   4.079   6.832
  114   2HG   ARG  17          HG1       ARG  17  -2.629   4.555   6.502
  115   1HD   ARG  17          HD2       ARG  17  -3.505   6.970   6.620
  116   2HD   ARG  17          HD1       ARG  17  -4.940   6.246   7.339
  117    HE   ARG  17           HE       ARG  17  -2.315   5.697   8.533
  118   1HH1  ARG  17          HH11      ARG  17  -5.460   7.274   8.780
  119   2HH1  ARG  17          HH12      ARG  17  -5.241   7.670  10.437
  120   1HH2  ARG  17          HH21      ARG  17  -2.057   6.262  10.718
  121   2HH2  ARG  17          HH22      ARG  17  -3.323   7.108  11.545
  122    HA   PRO  18           HA       PRO  18  -6.652   7.960   1.540
  123   1HB   PRO  18          HB2       PRO  18  -6.264  10.502   2.954
  124   2HB   PRO  18          HB1       PRO  18  -7.723   9.824   2.231
  125   1HG   PRO  18          HG2       PRO  18  -7.385  10.066   4.903
  126   2HG   PRO  18          HG1       PRO  18  -8.361   8.782   4.167
  127   1HD   PRO  18          HD2       PRO  18  -5.565   8.663   5.238
  128   2HD   PRO  18          HD1       PRO  18  -6.908   7.510   5.403
  129    H    SER  19           HN       SER  19  -3.810   7.867   3.296
  130    HA   SER  19           HA       SER  19  -2.242   8.685   1.057
  131   1HB   SER  19          HB2       SER  19  -2.659  10.869   2.142
  132   2HB   SER  19          HB1       SER  19  -2.023  10.240   3.660
  133    HG   SER  19           HG       SER  19  -0.654  10.773   1.249
  134    H    CYS  20           HN       CYS  20  -0.406   7.515   1.033
  135    HA   CYS  20           HA       CYS  20   0.062   5.629   3.166
  136   1HB   CYS  20          HB2       CYS  20   1.432   6.124   0.531
  137   2HB   CYS  20          HB1       CYS  20   1.994   4.924   1.679
  138    HA   PRO  21           HA       PRO  21   2.659   8.298   5.664
  139   1HB   PRO  21          HB2       PRO  21   3.948   5.624   6.122
  140   2HB   PRO  21          HB1       PRO  21   3.516   6.885   7.261
  141   1HG   PRO  21          HG2       PRO  21   1.980   4.740   6.967
  142   2HG   PRO  21          HG1       PRO  21   1.286   6.338   7.271
  143   1HD   PRO  21          HD2       PRO  21   1.308   4.727   4.782
  144   2HD   PRO  21          HD1       PRO  21   0.153   5.962   5.323
  145    H    THR  22           HN       THR  22   3.943   9.515   4.424
  146    HA   THR  22           HA       THR  22   5.571   8.444   2.358
  147    HB   THR  22           HB       THR  22   4.428  10.647   2.207
  148    HG1  THR  22           HG1      THR  22   6.034  11.557   1.036
  149   1HG2  THR  22          HG21      THR  22   6.538  11.666   4.104
  150   2HG2  THR  22          HG22      THR  22   4.872  11.338   4.577
  151   3HG2  THR  22          HG23      THR  22   5.220  12.571   3.372
  152    H    ASP  23           HN       ASP  23   6.134   8.580   5.607
  153    HA   ASP  23           HA       ASP  23   8.900   9.334   5.605
  154   1HB   ASP  23          HB2       ASP  23   7.417   7.818   7.728
  155   2HB   ASP  23          HB1       ASP  23   8.853   8.802   7.934
  156    H    ARG  24           HN       ARG  24   7.063   6.435   5.034
  157    HA   ARG  24           HA       ARG  24   9.485   4.783   5.357
  158   1HB   ARG  24          HB2       ARG  24   6.570   4.228   5.577
  159   2HB   ARG  24          HB1       ARG  24   7.563   2.946   4.917
  160   1HG   ARG  24          HG2       ARG  24   7.413   2.534   7.207
  161   2HG   ARG  24          HG1       ARG  24   9.039   3.155   6.930
  162   1HD   ARG  24          HD2       ARG  24   8.286   4.246   8.858
  163   2HD   ARG  24          HD1       ARG  24   8.102   5.440   7.582
  164    HE   ARG  24           HE       ARG  24   5.716   3.904   7.984
  165   1HH1  ARG  24          HH11      ARG  24   7.570   6.587   9.291
  166   2HH1  ARG  24          HH12      ARG  24   6.186   7.342   9.987
  167   1HH2  ARG  24          HH21      ARG  24   3.918   4.882   8.976
  168   2HH2  ARG  24          HH22      ARG  24   4.117   6.374   9.833
  169    H    GLY  25           HN       GLY  25   8.637   6.608   3.047
  170   1HA   GLY  25          HA2       GLY  25   8.857   6.608   0.791
  171   2HA   GLY  25          HA1       GLY  25  10.093   5.421   1.149
  172    H    TYR  26           HN       TYR  26   6.624   4.872   1.601
  173    HA   TYR  26           HA       TYR  26   6.512   2.483   0.142
  174   1HB   TYR  26          HB2       TYR  26   4.283   4.491   0.563
  175   2HB   TYR  26          HB1       TYR  26   4.082   2.807   0.089
  176    HD1  TYR  26           HD1      TYR  26   3.733   4.910   2.757
  177    HD2  TYR  26           HD2      TYR  26   5.463   1.180   1.814
  178    HE1  TYR  26           HE1      TYR  26   3.567   4.221   5.090
  179    HE2  TYR  26           HE2      TYR  26   5.337   0.485   4.165
  180    HH   TYR  26           HH       TYR  26   5.142   2.263   6.571
  181    H    THR  27           HN       THR  27   6.390   2.053  -1.995
  182    HA   THR  27           HA       THR  27   6.637   4.323  -3.819
  183    HB   THR  27           HB       THR  27   7.036   1.365  -4.390
  184    HG1  THR  27           HG1      THR  27   8.956   3.354  -3.616
  185   1HG2  THR  27          HG21      THR  27   8.446   2.247  -6.231
  186   2HG2  THR  27          HG22      THR  27   7.889   3.875  -5.848
  187   3HG2  THR  27          HG23      THR  27   6.743   2.657  -6.411
  188    H    GLY  28           HN       GLY  28   4.733   1.344  -3.471
  189   1HA   GLY  28          HA2       GLY  28   2.866   2.285  -5.545
  190   2HA   GLY  28          HA1       GLY  28   2.981   0.662  -4.884
  191    H    SER  29           HN       SER  29   0.625   2.264  -5.141
  192    HA   SER  29           HA       SER  29  -0.264   2.159  -2.349
  193   1HB   SER  29          HB2       SER  29  -0.691   4.580  -4.125
  194   2HB   SER  29          HB1       SER  29  -1.331   4.352  -2.495
  195    HG   SER  29           HG       SER  29   0.678   5.613  -2.704
  196    H    CYS  30           HN       CYS  30  -1.148   0.220  -3.268
  197    HA   CYS  30           HA       CYS  30  -3.240   0.523  -5.294
  198   1HB   CYS  30          HB2       CYS  30  -2.462  -2.021  -3.867
  199   2HB   CYS  30          HB1       CYS  30  -3.209  -1.828  -5.444
  200    H    ARG  31           HN       ARG  31  -5.446   0.248  -4.886
  201    HA   ARG  31           HA       ARG  31  -6.232   0.414  -2.095
  202   1HB   ARG  31          HB2       ARG  31  -7.426   1.717  -3.808
  203   2HB   ARG  31          HB1       ARG  31  -7.987   0.230  -4.557
  204   1HG   ARG  31          HG2       ARG  31  -8.552   0.705  -1.647
  205   2HG   ARG  31          HG1       ARG  31  -9.484   1.577  -2.863
  206   1HD   ARG  31          HD2       ARG  31 -10.561  -0.250  -3.569
  207   2HD   ARG  31          HD1       ARG  31  -9.233  -1.323  -3.340
  208    HE   ARG  31           HE       ARG  31  -9.732  -1.421  -0.981
  209   1HH1  ARG  31          HH11      ARG  31 -12.217  -0.002  -3.029
  210   2HH1  ARG  31          HH12      ARG  31 -13.495  -0.475  -1.986
  211   1HH2  ARG  31          HH21      ARG  31 -11.458  -2.046   0.383
  212   2HH2  ARG  31          HH22      ARG  31 -13.082  -1.625  -0.046
  213    H    TYR  32           HN       TYR  32  -5.972  -1.396  -1.013
  214    HA   TYR  32           HA       TYR  32  -6.528  -3.995  -2.220
  215   1HB   TYR  32          HB2       TYR  32  -4.531  -3.403  -0.720
  216   2HB   TYR  32          HB1       TYR  32  -5.642  -3.446   0.629
  217    HD1  TYR  32           HD1      TYR  32  -4.017  -5.441  -2.017
  218    HD2  TYR  32           HD2      TYR  32  -6.429  -5.575   1.488
  219    HE1  TYR  32           HE1      TYR  32  -3.676  -7.867  -1.876
  220    HE2  TYR  32           HE2      TYR  32  -6.101  -8.003   1.631
  221    HH   TYR  32           HH       TYR  32  -3.927  -9.627   0.534
  222    H    PHE  33           HN       PHE  33  -7.941  -5.500  -1.134
  223    HA   PHE  33           HA       PHE  33 -10.514  -4.743  -0.862
  224   1HB   PHE  33          HB2       PHE  33  -9.290  -6.937   0.814
  225   2HB   PHE  33          HB1       PHE  33 -10.972  -6.807   0.333
  226    HD1  PHE  33           HD1      PHE  33 -11.438  -6.798  -2.223
  227    HD2  PHE  33           HD2      PHE  33  -7.825  -8.191  -0.459
  228    HE1  PHE  33           HE1      PHE  33 -10.960  -8.120  -4.239
  229    HE2  PHE  33           HE2      PHE  33  -7.335  -9.505  -2.471
  230    HZ   PHE  33           HZ       PHE  33  -8.907  -9.474  -4.367
  231    H    LEU  34           HN       LEU  34  -8.228  -4.902   1.860
  232    HA   LEU  34           HA       LEU  34 -10.288  -3.989   3.690
  233   1HB   LEU  34          HB2       LEU  34  -7.416  -4.695   4.156
  234   2HB   LEU  34          HB1       LEU  34  -8.547  -4.296   5.428
  235    HG   LEU  34           HG       LEU  34  -8.504  -6.597   5.532
  236   1HD1  LEU  34          HD11      LEU  34 -10.606  -7.408   4.771
  237   2HD1  LEU  34          HD12      LEU  34 -10.717  -6.164   3.530
  238   3HD1  LEU  34          HD13      LEU  34 -10.814  -5.723   5.237
  239   1HD2  LEU  34          HD21      LEU  34  -8.612  -6.874   2.543
  240   2HD2  LEU  34          HD22      LEU  34  -8.289  -8.115   3.733
  241   3HD2  LEU  34          HD23      LEU  34  -7.109  -6.838   3.452
  242    H    GLY  35           HN       GLY  35  -7.786  -2.484   1.839
  243   1HA   GLY  35          HA2       GLY  35  -8.579   0.077   2.506
  244   2HA   GLY  35          HA1       GLY  35  -7.317  -0.343   3.639
  245    H    THR  36           HN       THR  36  -5.525   0.684   3.054
  246    HA   THR  36           HA       THR  36  -4.955   1.003   0.185
  247    HB   THR  36           HB       THR  36  -3.643   2.557   2.430
  248    HG1  THR  36           HG1      THR  36  -6.143   3.155   1.156
  249   1HG2  THR  36          HG21      THR  36  -2.692   2.746   0.173
  250   2HG2  THR  36          HG22      THR  36  -3.439   4.256   0.692
  251   3HG2  THR  36          HG23      THR  36  -4.275   3.210  -0.454
  252    H    CYS  37           HN       CYS  37  -3.608  -0.515  -0.520
  253    HA   CYS  37           HA       CYS  37  -1.627  -1.743   1.162
  254   1HB   CYS  37          HB2       CYS  37  -2.787  -3.086  -0.474
  255   2HB   CYS  37          HB1       CYS  37  -2.207  -2.063  -1.772
  256    H    CYS  38           HN       CYS  38  -0.091  -0.304   1.746
  257    HA   CYS  38           HA       CYS  38   1.173   1.367  -0.300
  258   1HB   CYS  38          HB2       CYS  38   1.650   1.294   2.688
  259   2HB   CYS  38          HB1       CYS  38   2.204   2.506   1.544
  260    H    THR  39           HN       THR  39   2.680   0.307  -1.440
  261    HA   THR  39           HA       THR  39   4.362  -1.650  -0.040
  262    HB   THR  39           HB       THR  39   4.549  -2.639  -2.400
  263    HG1  THR  39           HG1      THR  39   2.099  -1.234  -2.786
  264   1HG2  THR  39          HG21      THR  39   2.263  -2.783  -0.518
  265   2HG2  THR  39          HG22      THR  39   3.384  -4.025  -1.064
  266   3HG2  THR  39          HG23      THR  39   2.085  -3.518  -2.111
  267    HA   PRO  40           HA       PRO  40   7.858   0.533  -1.859
  268   1HB   PRO  40          HB2       PRO  40   9.562   0.114   0.249
  269   2HB   PRO  40          HB1       PRO  40   8.451   1.457   0.125
  270   1HG   PRO  40          HG2       PRO  40   8.326  -0.810   1.928
  271   2HG   PRO  40          HG1       PRO  40   7.431   0.704   1.972
  272   1HD   PRO  40          HD2       PRO  40   6.626  -1.893   0.959
  273   2HD   PRO  40          HD1       PRO  40   5.607  -0.511   1.296
  274    H    ALA  41           HN       ALA  41   9.391  -1.744   0.250
  275    HA   ALA  41           HA       ALA  41   9.311  -4.009  -1.439
  276   1HB   ALA  41          HB1       ALA  41  11.917  -2.472  -1.348
  277   2HB   ALA  41          HB2       ALA  41  10.883  -2.666  -2.763
  278   3HB   ALA  41          HB3       ALA  41  11.679  -4.071  -2.057
  279    H    ASP  42           HN       ASP  42   8.584  -3.740   1.133
  280    HA   ASP  42           HA       ASP  42  10.801  -4.983   2.648
  281   1HB   ASP  42          HB2       ASP  42  10.299  -2.552   3.225
  282   2HB   ASP  42          HB1       ASP  42   8.747  -3.108   3.846
  Start of MODEL   11
    1   1H    GLY   1           HT1      GLY   1   1.976  -9.823  10.311
    2   2H    GLY   1           HT2      GLY   1   3.317  -8.999  10.929
    3   3H    GLY   1           HT3      GLY   1   3.188  -9.268   9.265
    4   1HA   GLY   1          HA1       GLY   1   1.399  -7.550  10.899
    5   2HA   GLY   1          HA2       GLY   1   2.657  -6.974   9.814
    6    H    THR   2           HN       THR   2   0.435  -5.885   9.190
    7    HA   THR   2           HA       THR   2  -1.227  -7.491   7.444
    8    HB   THR   2           HB       THR   2  -2.239  -5.178   6.900
    9    HG1  THR   2           HG1      THR   2  -0.091  -4.301   8.149
   10   1HG2  THR   2          HG21      THR   2  -3.262  -6.710   8.499
   11   2HG2  THR   2          HG22      THR   2  -3.420  -5.030   9.011
   12   3HG2  THR   2          HG23      THR   2  -2.214  -6.071   9.767
   13    H    ALA   3           HN       ALA   3   0.762  -8.164   6.243
   14    HA   ALA   3           HA       ALA   3   1.985  -6.235   4.518
   15   1HB   ALA   3          HB1       ALA   3   3.256  -8.085   5.468
   16   2HB   ALA   3          HB2       ALA   3   3.314  -8.097   3.707
   17   3HB   ALA   3          HB3       ALA   3   2.267  -9.231   4.564
   18    H    CYS   4           HN       CYS   4   1.950  -6.191   2.280
   19    HA   CYS   4           HA       CYS   4   0.110  -7.884   0.809
   20   1HB   CYS   4          HB2       CYS   4  -1.075  -5.985  -0.232
   21   2HB   CYS   4          HB1       CYS   4  -1.380  -6.079   1.494
   22    H    SER   5           HN       SER   5   0.247  -7.069  -1.646
   23    HA   SER   5           HA       SER   5   2.911  -6.004  -2.227
   24   1HB   SER   5          HB2       SER   5   2.029  -8.750  -3.160
   25   2HB   SER   5          HB1       SER   5   3.521  -7.927  -3.626
   26    HG   SER   5           HG       SER   5   2.792  -8.996  -1.118
   27    H    CYS   6           HN       CYS   6   3.124  -5.107  -4.214
   28    HA   CYS   6           HA       CYS   6   0.790  -5.218  -6.031
   29   1HB   CYS   6          HB2       CYS   6   2.534  -2.833  -5.404
   30   2HB   CYS   6          HB1       CYS   6   1.361  -2.894  -6.697
   31    H    GLY   7           HN       GLY   7   1.670  -6.808  -7.317
   32   1HA   GLY   7          HA2       GLY   7   2.839  -7.560  -9.126
   33   2HA   GLY   7          HA1       GLY   7   3.526  -5.950  -9.306
   34    H    ASN   8           HN       ASN   8   5.538  -5.508  -8.443
   35    HA   ASN   8           HA       ASN   8   7.030  -7.864  -7.453
   36   1HB   ASN   8          HB2       ASN   8   7.937  -5.299  -8.764
   37   2HB   ASN   8          HB1       ASN   8   9.051  -6.430  -8.002
   38   1HD2  ASN   8          HD21      ASN   8  10.131  -6.895  -9.880
   39   2HD2  ASN   8          HD22      ASN   8   9.413  -7.809 -11.158
   40    H    SER   9           HN       SER   9   5.792  -4.767  -6.530
   41    HA   SER   9           HA       SER   9   7.724  -4.350  -4.443
   42   1HB   SER   9          HB2       SER   9   6.312  -2.377  -3.894
   43   2HB   SER   9          HB1       SER   9   6.781  -2.439  -5.591
   44    HG   SER   9           HG       SER   9   4.268  -3.182  -4.500
   45    H    LYS  10           HN       LYS  10   7.410  -4.494  -2.227
   46    HA   LYS  10           HA       LYS  10   4.961  -5.901  -1.305
   47   1HB   LYS  10          HB2       LYS  10   7.777  -6.295  -0.333
   48   2HB   LYS  10          HB1       LYS  10   6.355  -7.065   0.355
   49   1HG   LYS  10          HG2       LYS  10   5.989  -8.236  -1.785
   50   2HG   LYS  10          HG1       LYS  10   7.483  -7.522  -2.406
   51   1HD   LYS  10          HD2       LYS  10   7.227  -9.330   0.003
   52   2HD   LYS  10          HD1       LYS  10   7.891  -9.775  -1.572
   53   1HE   LYS  10          HE2       LYS  10   9.812  -8.587  -1.265
   54   2HE   LYS  10          HE1       LYS  10   9.117  -7.442  -0.142
   55   1HZ   LYS  10          HZ1       LYS  10  10.615  -8.894   0.976
   56   2HZ   LYS  10          HZ2       LYS  10   9.773 -10.261   0.448
   57   3HZ   LYS  10          HZ3       LYS  10   9.044  -9.184   1.532
   58    H    GLY  11           HN       GLY  11   4.173  -5.270   0.730
   59   1HA   GLY  11          HA2       GLY  11   5.620  -3.578   2.484
   60   2HA   GLY  11          HA1       GLY  11   4.573  -2.612   1.478
   61    H    ILE  12           HN       ILE  12   3.340  -1.925   3.192
   62    HA   ILE  12           HA       ILE  12   1.696  -3.990   4.532
   63    HB   ILE  12           HB       ILE  12   2.703  -1.357   5.652
   64   1HG1  ILE  12          HG12      ILE  12   4.498  -3.013   5.503
   65   2HG1  ILE  12          HG11      ILE  12   4.052  -2.735   7.181
   66   1HG2  ILE  12          HG21      ILE  12   1.776  -2.271   7.809
   67   2HG2  ILE  12          HG22      ILE  12   0.970  -3.495   6.843
   68   3HG2  ILE  12          HG23      ILE  12   0.575  -1.801   6.611
   69   1HD1  ILE  12          HD11      ILE  12   2.668  -4.828   7.059
   70   2HD1  ILE  12          HD12      ILE  12   4.404  -5.055   6.891
   71   3HD1  ILE  12          HD13      ILE  12   3.375  -5.099   5.470
   72    H    TYR  13           HN       TYR  13  -0.505  -3.652   4.562
   73    HA   TYR  13           HA       TYR  13  -1.424  -1.232   3.177
   74   1HB   TYR  13          HB2       TYR  13  -3.403  -2.324   2.592
   75   2HB   TYR  13          HB1       TYR  13  -2.168  -3.517   2.352
   76    HD1  TYR  13           HD1      TYR  13  -1.927  -5.429   3.931
   77    HD2  TYR  13           HD2      TYR  13  -5.153  -2.655   4.199
   78    HE1  TYR  13           HE1      TYR  13  -3.175  -7.017   5.327
   79    HE2  TYR  13           HE2      TYR  13  -6.370  -4.228   5.626
   80    HH   TYR  13           HH       TYR  13  -5.402  -6.422   7.256
   81    H    TRP  14           HN       TRP  14  -2.809   0.163   4.057
   82    HA   TRP  14           HA       TRP  14  -3.161   0.010   6.981
   83   1HB   TRP  14          HB2       TRP  14  -3.244   2.397   5.103
   84   2HB   TRP  14          HB1       TRP  14  -3.421   2.431   6.851
   85    HD1  TRP  14           HD1      TRP  14  -0.723   1.319   4.290
   86    HE1  TRP  14           HE1      TRP  14   1.588   1.883   5.273
   87    HE3  TRP  14           HE3      TRP  14  -2.195   3.159   8.826
   88    HZ2  TRP  14           HZ2      TRP  14   2.645   2.959   7.653
   89    HZ3  TRP  14           HZ3      TRP  14  -0.470   3.934  10.398
   90    HH2  TRP  14           HH2      TRP  14   1.901   3.835   9.823
   91    H    PHE  15           HN       PHE  15  -5.220   0.577   7.856
   92    HA   PHE  15           HA       PHE  15  -7.359  -0.407   6.200
   93   1HB   PHE  15          HB2       PHE  15  -7.240   0.520   9.067
   94   2HB   PHE  15          HB1       PHE  15  -8.743   0.011   8.302
   95    HD1  PHE  15           HD1      PHE  15  -5.432  -1.102   9.463
   96    HD2  PHE  15           HD2      PHE  15  -9.171  -2.292   7.799
   97    HE1  PHE  15           HE1      PHE  15  -4.900  -3.450   9.948
   98    HE2  PHE  15           HE2      PHE  15  -8.642  -4.641   8.289
   99    HZ   PHE  15           HZ       PHE  15  -6.504  -5.226   9.362
  100    H    TYR  16           HN       TYR  16  -7.760   1.048   4.622
  101    HA   TYR  16           HA       TYR  16  -8.687   2.762   3.525
  102   1HB   TYR  16          HB2       TYR  16 -10.126   3.110   6.161
  103   2HB   TYR  16          HB1       TYR  16 -10.569   3.930   4.669
  104    HD1  TYR  16           HD1      TYR  16 -10.986   2.368   2.601
  105    HD2  TYR  16           HD2      TYR  16 -11.183   1.086   6.658
  106    HE1  TYR  16           HE1      TYR  16 -12.398   0.491   1.947
  107    HE2  TYR  16           HE2      TYR  16 -12.588  -0.814   5.993
  108    HH   TYR  16           HH       TYR  16 -14.296  -1.087   3.624
  109    H    ARG  17           HN       ARG  17  -6.513   3.691   3.530
  110    HA   ARG  17           HA       ARG  17  -6.608   6.381   4.717
  111   1HB   ARG  17          HB2       ARG  17  -4.227   4.531   4.843
  112   2HB   ARG  17          HB1       ARG  17  -4.172   6.256   5.197
  113   1HG   ARG  17          HG2       ARG  17  -5.811   5.882   7.022
  114   2HG   ARG  17          HG1       ARG  17  -5.715   4.149   6.703
  115   1HD   ARG  17          HD2       ARG  17  -3.335   4.190   7.215
  116   2HD   ARG  17          HD1       ARG  17  -3.402   5.908   7.437
  117    HE   ARG  17           HE       ARG  17  -4.880   4.009   9.158
  118   1HH1  ARG  17          HH11      ARG  17  -2.804   6.826   8.769
  119   2HH1  ARG  17          HH12      ARG  17  -2.759   7.156  10.452
  120   1HH2  ARG  17          HH21      ARG  17  -4.805   4.491  11.399
  121   2HH2  ARG  17          HH22      ARG  17  -3.881   5.849  11.950
  122    HA   PRO  18           HA       PRO  18  -6.023   6.317   0.112
  123   1HB   PRO  18          HB2       PRO  18  -7.231   9.017   0.485
  124   2HB   PRO  18          HB1       PRO  18  -7.653   7.726  -0.646
  125   1HG   PRO  18          HG2       PRO  18  -9.184   8.259   1.466
  126   2HG   PRO  18          HG1       PRO  18  -8.923   6.591   0.920
  127   1HD   PRO  18          HD2       PRO  18  -7.685   8.050   3.220
  128   2HD   PRO  18          HD1       PRO  18  -8.262   6.372   3.119
  129    H    SER  19           HN       SER  19  -4.971   8.451   2.644
  130    HA   SER  19           HA       SER  19  -2.894   9.567   0.876
  131   1HB   SER  19          HB2       SER  19  -3.920  10.692   3.498
  132   2HB   SER  19          HB1       SER  19  -2.760  11.438   2.396
  133    HG   SER  19           HG       SER  19  -4.781  12.325   2.020
  134    H    CYS  20           HN       CYS  20  -1.577   7.768   1.091
  135    HA   CYS  20           HA       CYS  20  -0.968   6.641   3.624
  136   1HB   CYS  20          HB2       CYS  20  -1.031   5.359   1.542
  137   2HB   CYS  20          HB1       CYS  20   0.378   6.228   0.957
  138    HA   PRO  21           HA       PRO  21   2.481   9.352   4.664
  139   1HB   PRO  21          HB2       PRO  21   3.345   7.257   6.548
  140   2HB   PRO  21          HB1       PRO  21   2.736   8.878   6.861
  141   1HG   PRO  21          HG2       PRO  21   1.333   6.631   7.415
  142   2HG   PRO  21          HG1       PRO  21   0.572   8.181   7.014
  143   1HD   PRO  21          HD2       PRO  21   0.995   5.772   5.300
  144   2HD   PRO  21          HD1       PRO  21  -0.397   6.868   5.410
  145    H    THR  22           HN       THR  22   3.553   9.066   2.670
  146    HA   THR  22           HA       THR  22   4.907   6.662   2.010
  147    HB   THR  22           HB       THR  22   3.888   8.142   0.317
  148    HG1  THR  22           HG1      THR  22   5.408   6.809  -0.542
  149   1HG2  THR  22          HG21      THR  22   4.903  10.199  -0.332
  150   2HG2  THR  22          HG22      THR  22   6.226   9.982   0.806
  151   3HG2  THR  22          HG23      THR  22   4.596  10.295   1.398
  152    H    ASP  23           HN       ASP  23   5.831   8.516   4.374
  153    HA   ASP  23           HA       ASP  23   8.491   9.269   3.700
  154   1HB   ASP  23          HB2       ASP  23   7.228   8.938   6.419
  155   2HB   ASP  23          HB1       ASP  23   8.702   9.819   6.065
  156    H    ARG  24           HN       ARG  24   7.057   6.309   4.353
  157    HA   ARG  24           HA       ARG  24   9.365   5.126   5.663
  158   1HB   ARG  24          HB2       ARG  24   6.688   4.072   4.795
  159   2HB   ARG  24          HB1       ARG  24   7.953   3.007   5.358
  160   1HG   ARG  24          HG2       ARG  24   6.435   3.444   7.148
  161   2HG   ARG  24          HG1       ARG  24   7.987   4.203   7.500
  162   1HD   ARG  24          HD2       ARG  24   7.142   6.339   6.891
  163   2HD   ARG  24          HD1       ARG  24   5.626   5.659   6.322
  164    HE   ARG  24           HE       ARG  24   5.392   4.899   8.760
  165   1HH1  ARG  24          HH11      ARG  24   6.948   7.893   7.795
  166   2HH1  ARG  24          HH12      ARG  24   6.471   8.733   9.207
  167   1HH2  ARG  24          HH21      ARG  24   4.800   6.037  10.647
  168   2HH2  ARG  24          HH22      ARG  24   5.267   7.695  10.831
  169    H    GLY  25           HN       GLY  25   8.807   6.157   2.628
  170   1HA   GLY  25          HA2       GLY  25  10.086   5.766   0.772
  171   2HA   GLY  25          HA1       GLY  25  10.698   4.286   1.496
  172    H    TYR  26           HN       TYR  26   7.260   4.978   1.376
  173    HA   TYR  26           HA       TYR  26   6.697   2.517   0.112
  174   1HB   TYR  26          HB2       TYR  26   4.982   4.957   0.594
  175   2HB   TYR  26          HB1       TYR  26   4.352   3.463  -0.089
  176    HD1  TYR  26           HD1      TYR  26   5.356   1.343   1.411
  177    HD2  TYR  26           HD2      TYR  26   4.322   5.187   2.802
  178    HE1  TYR  26           HE1      TYR  26   4.958   0.402   3.649
  179    HE2  TYR  26           HE2      TYR  26   3.925   4.293   5.045
  180    HH   TYR  26           HH       TYR  26   5.007   1.766   6.232
  181    H    THR  27           HN       THR  27   6.453   1.968  -1.965
  182    HA   THR  27           HA       THR  27   7.053   4.000  -3.981
  183    HB   THR  27           HB       THR  27   6.897   0.983  -4.309
  184    HG1  THR  27           HG1      THR  27   9.171   2.646  -3.770
  185   1HG2  THR  27          HG21      THR  27   8.353   1.444  -6.259
  186   2HG2  THR  27          HG22      THR  27   8.107   3.170  -6.005
  187   3HG2  THR  27          HG23      THR  27   6.741   2.134  -6.423
  188    H    GLY  28           HN       GLY  28   4.694   1.374  -3.415
  189   1HA   GLY  28          HA2       GLY  28   2.909   2.666  -5.397
  190   2HA   GLY  28          HA1       GLY  28   2.934   0.959  -4.995
  191    H    SER  29           HN       SER  29   0.645   2.509  -5.010
  192    HA   SER  29           HA       SER  29  -0.237   2.116  -2.252
  193   1HB   SER  29          HB2       SER  29  -0.780   4.663  -3.790
  194   2HB   SER  29          HB1       SER  29  -1.441   4.244  -2.207
  195    HG   SER  29           HG       SER  29   0.551   4.452  -1.312
  196    H    CYS  30           HN       CYS  30  -1.130   0.242  -3.214
  197    HA   CYS  30           HA       CYS  30  -3.146   0.570  -5.312
  198   1HB   CYS  30          HB2       CYS  30  -2.291  -1.971  -3.914
  199   2HB   CYS  30          HB1       CYS  30  -3.099  -1.807  -5.467
  200    H    ARG  31           HN       ARG  31  -5.287  -0.395  -5.062
  201    HA   ARG  31           HA       ARG  31  -6.393   0.107  -2.424
  202   1HB   ARG  31          HB2       ARG  31  -7.758   0.815  -4.254
  203   2HB   ARG  31          HB1       ARG  31  -7.651  -0.761  -5.026
  204   1HG   ARG  31          HG2       ARG  31  -9.817  -0.489  -4.019
  205   2HG   ARG  31          HG1       ARG  31  -8.943  -1.751  -3.166
  206   1HD   ARG  31          HD2       ARG  31  -8.253   0.242  -1.576
  207   2HD   ARG  31          HD1       ARG  31  -9.649   1.008  -2.299
  208    HE   ARG  31           HE       ARG  31  -9.704  -1.567  -0.843
  209   1HH1  ARG  31          HH11      ARG  31 -11.214   1.510  -1.635
  210   2HH1  ARG  31          HH12      ARG  31 -12.583   1.206  -0.644
  211   1HH2  ARG  31          HH21      ARG  31 -11.517  -1.927   0.479
  212   2HH2  ARG  31          HH22      ARG  31 -12.797  -0.763   0.512
  213    H    TYR  32           HN       TYR  32  -6.480  -1.393  -0.901
  214    HA   TYR  32           HA       TYR  32  -6.392  -4.248  -1.674
  215   1HB   TYR  32          HB2       TYR  32  -4.562  -3.304  -0.192
  216   2HB   TYR  32          HB1       TYR  32  -5.773  -3.052   1.046
  217    HD1  TYR  32           HD1      TYR  32  -3.859  -5.555  -0.844
  218    HD2  TYR  32           HD2      TYR  32  -6.687  -4.948   2.269
  219    HE1  TYR  32           HE1      TYR  32  -3.531  -7.871  -0.096
  220    HE2  TYR  32           HE2      TYR  32  -6.366  -7.268   3.003
  221    HH   TYR  32           HH       TYR  32  -5.370  -9.577   1.469
  222    H    PHE  33           HN       PHE  33  -7.832  -5.643  -0.522
  223    HA   PHE  33           HA       PHE  33 -10.456  -4.909  -0.535
  224   1HB   PHE  33          HB2       PHE  33  -9.274  -6.992   1.308
  225   2HB   PHE  33          HB1       PHE  33 -10.948  -6.912   0.781
  226    HD1  PHE  33           HD1      PHE  33 -11.496  -7.333  -1.617
  227    HD2  PHE  33           HD2      PHE  33  -7.583  -7.960  -0.044
  228    HE1  PHE  33           HE1      PHE  33 -10.928  -8.709  -3.572
  229    HE2  PHE  33           HE2      PHE  33  -7.017  -9.337  -1.999
  230    HZ   PHE  33           HZ       PHE  33  -8.690  -9.712  -3.768
  231    H    LEU  34           HN       LEU  34  -8.362  -4.889   2.334
  232    HA   LEU  34           HA       LEU  34 -10.496  -3.759   3.937
  233   1HB   LEU  34          HB2       LEU  34  -7.741  -4.649   4.656
  234   2HB   LEU  34          HB1       LEU  34  -8.873  -4.028   5.826
  235    HG   LEU  34           HG       LEU  34  -9.041  -6.316   6.116
  236   1HD1  LEU  34          HD11      LEU  34 -11.189  -6.960   5.363
  237   2HD1  LEU  34          HD12      LEU  34 -11.131  -5.852   3.996
  238   3HD1  LEU  34          HD13      LEU  34 -11.236  -5.223   5.644
  239   1HD2  LEU  34          HD21      LEU  34  -8.960  -6.715   3.135
  240   2HD2  LEU  34          HD22      LEU  34  -9.060  -7.973   4.344
  241   3HD2  LEU  34          HD23      LEU  34  -7.631  -6.963   4.245
  242    H    GLY  35           HN       GLY  35  -8.147  -2.407   1.969
  243   1HA   GLY  35          HA2       GLY  35  -8.741   0.171   2.635
  244   2HA   GLY  35          HA1       GLY  35  -7.427  -0.262   3.702
  245    H    THR  36           HN       THR  36  -5.686   0.744   3.009
  246    HA   THR  36           HA       THR  36  -5.201   0.879   0.102
  247    HB   THR  36           HB       THR  36  -4.053   2.752   2.196
  248    HG1  THR  36           HG1      THR  36  -6.530   3.031   0.769
  249   1HG2  THR  36          HG21      THR  36  -3.010   2.775  -0.027
  250   2HG2  THR  36          HG22      THR  36  -3.882   4.273   0.293
  251   3HG2  THR  36          HG23      THR  36  -4.589   3.053  -0.765
  252    H    CYS  37           HN       CYS  37  -3.623  -0.387  -0.580
  253    HA   CYS  37           HA       CYS  37  -1.686  -1.495   1.250
  254   1HB   CYS  37          HB2       CYS  37  -2.713  -2.999  -0.277
  255   2HB   CYS  37          HB1       CYS  37  -2.275  -1.995  -1.648
  256    H    CYS  38           HN       CYS  38   0.094  -0.383   1.731
  257    HA   CYS  38           HA       CYS  38   1.293   1.346  -0.330
  258   1HB   CYS  38          HB2       CYS  38   1.816   1.254   2.644
  259   2HB   CYS  38          HB1       CYS  38   2.442   2.421   1.488
  260    H    THR  39           HN       THR  39   2.818   0.314  -1.494
  261    HA   THR  39           HA       THR  39   4.460  -1.695  -0.114
  262    HB   THR  39           HB       THR  39   4.715  -2.736  -2.390
  263    HG1  THR  39           HG1      THR  39   2.475  -1.087  -3.062
  264   1HG2  THR  39          HG21      THR  39   2.285  -2.674  -0.725
  265   2HG2  THR  39          HG22      THR  39   3.300  -4.021  -1.225
  266   3HG2  THR  39          HG23      THR  39   2.111  -3.363  -2.338
  267    HA   PRO  40           HA       PRO  40   8.022   0.432  -1.811
  268   1HB   PRO  40          HB2       PRO  40   9.650  -0.071   0.358
  269   2HB   PRO  40          HB1       PRO  40   8.647   1.331   0.157
  270   1HG   PRO  40          HG2       PRO  40   8.300  -0.821   2.033
  271   2HG   PRO  40          HG1       PRO  40   7.491   0.748   1.965
  272   1HD   PRO  40          HD2       PRO  40   6.579  -1.841   1.047
  273   2HD   PRO  40          HD1       PRO  40   5.634  -0.397   1.278
  274    H    ALA  41           HN       ALA  41   9.439  -1.894   0.342
  275    HA   ALA  41           HA       ALA  41   9.314  -4.110  -1.476
  276   1HB   ALA  41          HB1       ALA  41  11.724  -4.310  -1.789
  277   2HB   ALA  41          HB2       ALA  41  11.974  -2.787  -0.931
  278   3HB   ALA  41          HB3       ALA  41  11.126  -2.800  -2.476
  279    H    ASP  42           HN       ASP  42   8.366  -3.705   1.111
  280    HA   ASP  42           HA       ASP  42  10.310  -4.685   3.010
  281   1HB   ASP  42          HB2       ASP  42   8.483  -2.961   3.470
  282   2HB   ASP  42          HB1       ASP  42   7.342  -4.299   3.481
  Start of MODEL   12
    1   1H    GLY   1           HT1      GLY   1   2.769  -7.955  11.079
    2   2H    GLY   1           HT2      GLY   1   3.938  -6.753  11.294
    3   3H    GLY   1           HT3      GLY   1   3.884  -7.626   9.847
    4   1HA   GLY   1          HA1       GLY   1   1.803  -5.755  10.836
    5   2HA   GLY   1          HA2       GLY   1   2.960  -5.413   9.559
    6    H    THR   2           HN       THR   2   0.492  -5.030   8.827
    7    HA   THR   2           HA       THR   2  -0.666  -7.433   7.654
    8    HB   THR   2           HB       THR   2  -2.157  -5.521   6.586
    9    HG1  THR   2           HG1      THR   2  -2.062  -3.604   7.611
   10   1HG2  THR   2          HG21      THR   2  -2.783  -7.202   8.367
   11   2HG2  THR   2          HG22      THR   2  -3.643  -5.670   8.387
   12   3HG2  THR   2          HG23      THR   2  -2.342  -5.955   9.536
   13    H    ALA   3           HN       ALA   3   1.093  -8.070   6.347
   14    HA   ALA   3           HA       ALA   3   2.114  -6.279   4.358
   15   1HB   ALA   3          HB1       ALA   3   3.556  -7.896   5.468
   16   2HB   ALA   3          HB2       ALA   3   3.562  -8.121   3.719
   17   3HB   ALA   3          HB3       ALA   3   2.634  -9.216   4.749
   18    H    CYS   4           HN       CYS   4   1.794  -6.279   2.197
   19    HA   CYS   4           HA       CYS   4   0.158  -8.360   0.960
   20   1HB   CYS   4          HB2       CYS   4  -1.307  -6.757  -0.142
   21   2HB   CYS   4          HB1       CYS   4  -1.466  -6.621   1.605
   22    H    SER   5           HN       SER   5   0.269  -8.178  -1.456
   23    HA   SER   5           HA       SER   5   2.831  -6.924  -2.242
   24   1HB   SER   5          HB2       SER   5   1.798  -9.616  -3.132
   25   2HB   SER   5          HB1       SER   5   3.335  -8.868  -3.575
   26    HG   SER   5           HG       SER   5   4.069  -9.151  -1.529
   27    H    CYS   6           HN       CYS   6   2.837  -5.755  -3.991
   28    HA   CYS   6           HA       CYS   6   0.591  -5.934  -5.909
   29   1HB   CYS   6          HB2       CYS   6   2.266  -3.521  -5.175
   30   2HB   CYS   6          HB1       CYS   6   1.060  -3.568  -6.456
   31    H    GLY   7           HN       GLY   7   1.731  -7.558  -7.068
   32   1HA   GLY   7          HA2       GLY   7   3.122  -8.311  -8.702
   33   2HA   GLY   7          HA1       GLY   7   3.390  -6.629  -9.135
   34    H    ASN   8           HN       ASN   8   5.322  -5.716  -8.663
   35    HA   ASN   8           HA       ASN   8   7.369  -7.455  -7.500
   36   1HB   ASN   8          HB2       ASN   8   7.950  -6.432  -9.585
   37   2HB   ASN   8          HB1       ASN   8   7.497  -4.835  -9.001
   38   1HD2  ASN   8          HD21      ASN   8   8.947  -3.663  -7.789
   39   2HD2  ASN   8          HD22      ASN   8  10.565  -4.193  -7.494
   40    H    SER   9           HN       SER   9   5.525  -4.591  -6.723
   41    HA   SER   9           HA       SER   9   7.333  -3.807  -4.598
   42   1HB   SER   9          HB2       SER   9   5.500  -2.066  -4.193
   43   2HB   SER   9          HB1       SER   9   6.351  -2.005  -5.724
   44    HG   SER   9           HG       SER   9   3.991  -1.844  -5.824
   45    H    LYS  10           HN       LYS  10   7.217  -4.487  -2.553
   46    HA   LYS  10           HA       LYS  10   4.725  -5.807  -1.625
   47   1HB   LYS  10          HB2       LYS  10   7.565  -6.523  -0.860
   48   2HB   LYS  10          HB1       LYS  10   6.089  -7.360  -0.381
   49   1HG   LYS  10          HG2       LYS  10   5.709  -8.084  -2.644
   50   2HG   LYS  10          HG1       LYS  10   7.091  -7.143  -3.215
   51   1HD   LYS  10          HD2       LYS  10   8.548  -8.523  -1.717
   52   2HD   LYS  10          HD1       LYS  10   7.137  -9.527  -1.368
   53   1HE   LYS  10          HE2       LYS  10   8.335  -9.059  -4.100
   54   2HE   LYS  10          HE1       LYS  10   8.563 -10.499  -3.110
   55   1HZ   LYS  10          HZ1       LYS  10   6.011  -9.540  -4.283
   56   2HZ   LYS  10          HZ2       LYS  10   6.128 -10.838  -3.203
   57   3HZ   LYS  10          HZ3       LYS  10   6.878 -10.924  -4.715
   58    H    GLY  11           HN       GLY  11   3.951  -5.154   0.340
   59   1HA   GLY  11          HA2       GLY  11   5.630  -3.840   2.285
   60   2HA   GLY  11          HA1       GLY  11   4.627  -2.728   1.386
   61    H    ILE  12           HN       ILE  12   3.410  -2.055   3.075
   62    HA   ILE  12           HA       ILE  12   1.763  -4.099   4.432
   63    HB   ILE  12           HB       ILE  12   2.744  -1.436   5.485
   64   1HG1  ILE  12          HG12      ILE  12   4.548  -3.095   5.343
   65   2HG1  ILE  12          HG11      ILE  12   4.132  -2.754   7.017
   66   1HG2  ILE  12          HG21      ILE  12   1.847  -2.285   7.665
   67   2HG2  ILE  12          HG22      ILE  12   1.051  -3.573   6.769
   68   3HG2  ILE  12          HG23      ILE  12   0.623  -1.893   6.466
   69   1HD1  ILE  12          HD11      ILE  12   2.766  -4.853   7.019
   70   2HD1  ILE  12          HD12      ILE  12   4.494  -5.087   6.792
   71   3HD1  ILE  12          HD13      ILE  12   3.411  -5.183   5.415
   72    H    TYR  13           HN       TYR  13  -0.439  -3.819   4.445
   73    HA   TYR  13           HA       TYR  13  -1.414  -1.378   3.145
   74   1HB   TYR  13          HB2       TYR  13  -3.271  -2.501   2.339
   75   2HB   TYR  13          HB1       TYR  13  -2.000  -3.657   2.221
   76    HD1  TYR  13           HD1      TYR  13  -1.810  -5.555   3.866
   77    HD2  TYR  13           HD2      TYR  13  -5.199  -2.980   3.629
   78    HE1  TYR  13           HE1      TYR  13  -3.158  -7.225   5.059
   79    HE2  TYR  13           HE2      TYR  13  -6.533  -4.642   4.836
   80    HH   TYR  13           HH       TYR  13  -6.543  -6.620   5.944
   81    H    TRP  14           HN       TRP  14  -2.882  -0.090   4.079
   82    HA   TRP  14           HA       TRP  14  -3.256  -0.499   6.980
   83   1HB   TRP  14          HB2       TRP  14  -3.183   2.050   5.338
   84   2HB   TRP  14          HB1       TRP  14  -3.396   1.953   7.077
   85    HD1  TRP  14           HD1      TRP  14  -0.716   0.799   4.508
   86    HE1  TRP  14           HE1      TRP  14   1.602   1.142   5.567
   87    HE3  TRP  14           HE3      TRP  14  -2.156   2.544   9.087
   88    HZ2  TRP  14           HZ2      TRP  14   2.680   2.036   8.007
   89    HZ3  TRP  14           HZ3      TRP  14  -0.419   3.129  10.729
   90    HH2  TRP  14           HH2      TRP  14   1.950   2.876  10.198
   91    H    PHE  15           HN       PHE  15  -5.267  -0.342   7.864
   92    HA   PHE  15           HA       PHE  15  -7.373  -1.003   6.092
   93   1HB   PHE  15          HB2       PHE  15  -7.345  -0.542   9.071
   94   2HB   PHE  15          HB1       PHE  15  -8.768  -1.094   8.196
   95    HD1  PHE  15           HD1      PHE  15  -5.548  -2.037   9.573
   96    HD2  PHE  15           HD2      PHE  15  -8.779  -3.299   7.115
   97    HE1  PHE  15           HE1      PHE  15  -4.790  -4.364   9.776
   98    HE2  PHE  15           HE2      PHE  15  -8.023  -5.631   7.302
   99    HZ   PHE  15           HZ       PHE  15  -6.028  -6.167   8.640
  100    H    TYR  16           HN       TYR  16  -8.343   0.481   4.896
  101    HA   TYR  16           HA       TYR  16  -9.355   2.338   4.160
  102   1HB   TYR  16          HB2       TYR  16 -10.376   2.328   7.009
  103   2HB   TYR  16          HB1       TYR  16 -11.053   3.309   5.711
  104    HD1  TYR  16           HD1      TYR  16 -10.973   0.023   7.229
  105    HD2  TYR  16           HD2      TYR  16 -12.104   2.177   3.732
  106    HE1  TYR  16           HE1      TYR  16 -12.403  -1.852   6.538
  107    HE2  TYR  16           HE2      TYR  16 -13.537   0.309   3.041
  108    HH   TYR  16           HH       TYR  16 -14.735  -1.822   4.724
  109    H    ARG  17           HN       ARG  17  -6.687   2.719   4.896
  110    HA   ARG  17           HA       ARG  17  -6.757   5.523   5.832
  111   1HB   ARG  17          HB2       ARG  17  -4.617   3.467   6.260
  112   2HB   ARG  17          HB1       ARG  17  -4.449   5.167   6.643
  113   1HG   ARG  17          HG2       ARG  17  -6.221   5.014   8.276
  114   2HG   ARG  17          HG1       ARG  17  -6.501   3.336   7.849
  115   1HD   ARG  17          HD2       ARG  17  -5.244   3.490   9.880
  116   2HD   ARG  17          HD1       ARG  17  -4.266   2.750   8.628
  117    HE   ARG  17           HE       ARG  17  -3.489   5.299   8.424
  118   1HH1  ARG  17          HH11      ARG  17  -3.880   3.268  11.263
  119   2HH1  ARG  17          HH12      ARG  17  -2.662   4.101  12.145
  120   1HH2  ARG  17          HH21      ARG  17  -1.872   6.362   9.608
  121   2HH2  ARG  17          HH22      ARG  17  -1.516   5.844  11.223
  122    HA   PRO  18           HA       PRO  18  -5.132   5.591   1.562
  123   1HB   PRO  18          HB2       PRO  18  -6.538   7.713   0.696
  124   2HB   PRO  18          HB1       PRO  18  -7.274   6.125   0.889
  125   1HG   PRO  18          HG2       PRO  18  -7.468   8.508   2.663
  126   2HG   PRO  18          HG1       PRO  18  -8.709   7.323   2.228
  127   1HD   PRO  18          HD2       PRO  18  -7.212   7.330   4.584
  128   2HD   PRO  18          HD1       PRO  18  -8.137   5.958   3.949
  129    H    SER  19           HN       SER  19  -3.406   6.309   3.481
  130    HA   SER  19           HA       SER  19  -2.209   8.718   2.402
  131   1HB   SER  19          HB2       SER  19  -2.845   8.500   5.364
  132   2HB   SER  19          HB1       SER  19  -1.916   9.788   4.594
  133    HG   SER  19           HG       SER  19  -4.075  10.422   4.890
  134    H    CYS  20           HN       CYS  20  -0.802   7.023   1.653
  135    HA   CYS  20           HA       CYS  20   0.618   5.363   3.456
  136   1HB   CYS  20          HB2       CYS  20   1.117   6.072   0.579
  137   2HB   CYS  20          HB1       CYS  20   2.090   4.899   1.464
  138    HA   PRO  21           HA       PRO  21   3.447   8.483   5.036
  139   1HB   PRO  21          HB2       PRO  21   4.759   5.962   5.916
  140   2HB   PRO  21          HB1       PRO  21   4.392   7.414   6.844
  141   1HG   PRO  21          HG2       PRO  21   2.918   5.229   7.128
  142   2HG   PRO  21          HG1       PRO  21   2.148   6.828   7.081
  143   1HD   PRO  21          HD2       PRO  21   2.253   4.754   4.957
  144   2HD   PRO  21          HD1       PRO  21   0.978   5.840   5.402
  145    H    THR  22           HN       THR  22   4.932   9.414   3.805
  146    HA   THR  22           HA       THR  22   6.381   7.945   1.789
  147    HB   THR  22           HB       THR  22   5.516  10.246   1.365
  148    HG1  THR  22           HG1      THR  22   7.245  10.791   0.146
  149   1HG2  THR  22          HG21      THR  22   6.530  12.173   2.324
  150   2HG2  THR  22          HG22      THR  22   7.715  11.203   3.189
  151   3HG2  THR  22          HG23      THR  22   6.017  11.142   3.655
  152    H    ASP  23           HN       ASP  23   6.918   8.858   5.052
  153    HA   ASP  23           HA       ASP  23   9.800   8.886   4.913
  154   1HB   ASP  23          HB2       ASP  23   9.753   9.202   7.267
  155   2HB   ASP  23          HB1       ASP  23   8.408  10.139   6.627
  156    H    ARG  24           HN       ARG  24   7.326   6.522   5.117
  157    HA   ARG  24           HA       ARG  24   8.991   4.452   6.275
  158   1HB   ARG  24          HB2       ARG  24   6.276   4.414   4.948
  159   2HB   ARG  24          HB1       ARG  24   7.056   2.976   5.589
  160   1HG   ARG  24          HG2       ARG  24   6.268   5.405   7.187
  161   2HG   ARG  24          HG1       ARG  24   5.384   3.878   7.121
  162   1HD   ARG  24          HD2       ARG  24   8.150   4.352   8.177
  163   2HD   ARG  24          HD1       ARG  24   6.721   3.979   9.117
  164    HE   ARG  24           HE       ARG  24   6.721   1.799   7.747
  165   1HH1  ARG  24          HH11      ARG  24   9.596   3.505   8.844
  166   2HH1  ARG  24          HH12      ARG  24  10.537   2.073   8.940
  167   1HH2  ARG  24          HH21      ARG  24   7.994  -0.088   7.895
  168   2HH2  ARG  24          HH22      ARG  24   9.644   0.028   8.410
  169    H    GLY  25           HN       GLY  25   8.751   5.970   3.295
  170   1HA   GLY  25          HA2       GLY  25   9.952   5.586   1.411
  171   2HA   GLY  25          HA1       GLY  25  10.511   4.064   2.085
  172    H    TYR  26           HN       TYR  26   7.073   4.684   2.022
  173    HA   TYR  26           HA       TYR  26   6.567   2.372   0.492
  174   1HB   TYR  26          HB2       TYR  26   4.798   4.713   1.192
  175   2HB   TYR  26          HB1       TYR  26   4.209   3.261   0.388
  176    HD1  TYR  26           HD1      TYR  26   5.699   1.190   1.870
  177    HD2  TYR  26           HD2      TYR  26   3.689   4.621   3.270
  178    HE1  TYR  26           HE1      TYR  26   5.346   0.052   4.012
  179    HE2  TYR  26           HE2      TYR  26   3.324   3.496   5.432
  180    HH   TYR  26           HH       TYR  26   4.788   1.309   6.660
  181    H    THR  27           HN       THR  27   6.505   2.027  -1.629
  182    HA   THR  27           HA       THR  27   7.120   4.286  -3.362
  183    HB   THR  27           HB       THR  27   7.092   1.319  -4.027
  184    HG1  THR  27           HG1      THR  27   9.255   2.986  -3.142
  185   1HG2  THR  27          HG21      THR  27   8.671   2.032  -5.802
  186   2HG2  THR  27          HG22      THR  27   8.349   3.713  -5.381
  187   3HG2  THR  27          HG23      THR  27   7.053   2.695  -6.013
  188    H    GLY  28           HN       GLY  28   4.717   1.672  -3.118
  189   1HA   GLY  28          HA2       GLY  28   3.045   3.145  -5.076
  190   2HA   GLY  28          HA1       GLY  28   3.073   1.400  -4.895
  191    H    SER  29           HN       SER  29   0.718   2.709  -4.815
  192    HA   SER  29           HA       SER  29  -0.153   2.246  -2.048
  193   1HB   SER  29          HB2       SER  29  -0.884   4.738  -3.609
  194   2HB   SER  29          HB1       SER  29  -1.416   4.312  -1.979
  195    HG   SER  29           HG       SER  29   0.410   5.809  -2.135
  196    H    CYS  30           HN       CYS  30  -0.883   0.322  -3.097
  197    HA   CYS  30           HA       CYS  30  -2.840   0.476  -5.226
  198   1HB   CYS  30          HB2       CYS  30  -2.337  -1.982  -3.561
  199   2HB   CYS  30          HB1       CYS  30  -2.758  -1.853  -5.254
  200    H    ARG  31           HN       ARG  31  -5.084  -0.050  -5.039
  201    HA   ARG  31           HA       ARG  31  -6.150   0.399  -2.370
  202   1HB   ARG  31          HB2       ARG  31  -7.300   1.570  -4.146
  203   2HB   ARG  31          HB1       ARG  31  -7.593   0.058  -5.001
  204   1HG   ARG  31          HG2       ARG  31  -9.568   0.876  -3.782
  205   2HG   ARG  31          HG1       ARG  31  -9.052  -0.717  -3.235
  206   1HD   ARG  31          HD2       ARG  31  -7.695   0.740  -1.457
  207   2HD   ARG  31          HD1       ARG  31  -8.903   1.918  -1.890
  208    HE   ARG  31           HE       ARG  31  -9.575  -0.788  -0.899
  209   1HH1  ARG  31          HH11      ARG  31  -9.923   2.706  -0.716
  210   2HH1  ARG  31          HH12      ARG  31 -11.178   2.624   0.451
  211   1HH2  ARG  31          HH21      ARG  31 -11.242  -0.862   0.667
  212   2HH2  ARG  31          HH22      ARG  31 -11.933   0.616   1.247
  213    H    TYR  32           HN       TYR  32  -6.249  -1.274  -1.064
  214    HA   TYR  32           HA       TYR  32  -6.728  -3.965  -2.163
  215   1HB   TYR  32          HB2       TYR  32  -4.799  -3.193  -0.473
  216   2HB   TYR  32          HB1       TYR  32  -6.043  -3.504   0.719
  217    HD1  TYR  32           HD1      TYR  32  -6.421  -5.721   1.456
  218    HD2  TYR  32           HD2      TYR  32  -4.247  -5.060  -2.148
  219    HE1  TYR  32           HE1      TYR  32  -5.853  -8.113   1.356
  220    HE2  TYR  32           HE2      TYR  32  -3.682  -7.442  -2.254
  221    HH   TYR  32           HH       TYR  32  -3.584  -9.406  -0.026
  222    H    PHE  33           HN       PHE  33  -8.235  -5.327  -0.984
  223    HA   PHE  33           HA       PHE  33 -10.750  -4.334  -0.953
  224   1HB   PHE  33          HB2       PHE  33  -9.990  -6.748  -0.833
  225   2HB   PHE  33          HB1       PHE  33  -9.893  -6.567   0.897
  226    HD1  PHE  33           HD1      PHE  33 -12.150  -6.549  -2.007
  227    HD2  PHE  33           HD2      PHE  33 -11.904  -6.601   2.233
  228    HE1  PHE  33           HE1      PHE  33 -14.543  -7.081  -1.865
  229    HE2  PHE  33           HE2      PHE  33 -14.282  -7.123   2.388
  230    HZ   PHE  33           HZ       PHE  33 -15.612  -7.370   0.333
  231    H    LEU  34           HN       LEU  34  -8.646  -4.581   1.924
  232    HA   LEU  34           HA       LEU  34 -10.733  -3.240   3.503
  233   1HB   LEU  34          HB2       LEU  34  -8.234  -4.680   4.345
  234   2HB   LEU  34          HB1       LEU  34  -9.324  -3.886   5.437
  235    HG   LEU  34           HG       LEU  34  -9.879  -6.130   5.618
  236   1HD1  LEU  34          HD11      LEU  34 -12.129  -6.288   4.808
  237   2HD1  LEU  34          HD12      LEU  34 -11.843  -5.034   3.608
  238   3HD1  LEU  34          HD13      LEU  34 -11.819  -4.634   5.325
  239   1HD2  LEU  34          HD21      LEU  34  -9.878  -6.316   2.630
  240   2HD2  LEU  34          HD22      LEU  34 -10.262  -7.618   3.725
  241   3HD2  LEU  34          HD23      LEU  34  -8.635  -6.942   3.684
  242    H    GLY  35           HN       GLY  35  -8.216  -2.123   1.698
  243   1HA   GLY  35          HA2       GLY  35  -8.308   0.423   2.689
  244   2HA   GLY  35          HA1       GLY  35  -7.071  -0.369   3.637
  245    H    THR  36           HN       THR  36  -5.347   0.799   2.920
  246    HA   THR  36           HA       THR  36  -4.859   0.778   0.008
  247    HB   THR  36           HB       THR  36  -3.606   2.663   2.027
  248    HG1  THR  36           HG1      THR  36  -6.014   3.032   0.508
  249   1HG2  THR  36          HG21      THR  36  -2.492   2.509  -0.145
  250   2HG2  THR  36          HG22      THR  36  -3.299   4.065   0.041
  251   3HG2  THR  36          HG23      THR  36  -4.026   2.812  -0.965
  252    H    CYS  37           HN       CYS  37  -3.303  -0.489  -0.684
  253    HA   CYS  37           HA       CYS  37  -1.388  -1.704   1.090
  254   1HB   CYS  37          HB2       CYS  37  -2.226  -2.037  -1.718
  255   2HB   CYS  37          HB1       CYS  37  -0.562  -2.465  -1.364
  256    H    CYS  38           HN       CYS  38  -0.053  -0.167   1.850
  257    HA   CYS  38           HA       CYS  38   1.335   1.632   0.038
  258   1HB   CYS  38          HB2       CYS  38   1.766   1.142   3.001
  259   2HB   CYS  38          HB1       CYS  38   2.357   2.467   2.024
  260    H    THR  39           HN       THR  39   2.587   0.427  -1.293
  261    HA   THR  39           HA       THR  39   4.230  -1.688  -0.126
  262    HB   THR  39           HB       THR  39   4.316  -2.376  -2.647
  263    HG1  THR  39           HG1      THR  39   1.852  -0.941  -2.668
  264   1HG2  THR  39          HG21      THR  39   1.640  -2.649  -1.365
  265   2HG2  THR  39          HG22      THR  39   3.041  -3.425  -0.650
  266   3HG2  THR  39          HG23      THR  39   2.565  -3.823  -2.292
  267    HA   PRO  40           HA       PRO  40   7.863   0.399  -1.765
  268   1HB   PRO  40          HB2       PRO  40   9.458   0.029   0.397
  269   2HB   PRO  40          HB1       PRO  40   8.273   1.293   0.293
  270   1HG   PRO  40          HG2       PRO  40   8.193  -1.099   1.947
  271   2HG   PRO  40          HG1       PRO  40   7.330   0.410   2.126
  272   1HD   PRO  40          HD2       PRO  40   6.479  -2.062   0.916
  273   2HD   PRO  40          HD1       PRO  40   5.484  -0.678   1.314
  274    H    ALA  41           HN       ALA  41   9.364  -1.766   0.382
  275    HA   ALA  41           HA       ALA  41   9.263  -4.181  -1.028
  276   1HB   ALA  41          HB1       ALA  41  11.806  -2.567  -1.353
  277   2HB   ALA  41          HB2       ALA  41  10.674  -2.982  -2.638
  278   3HB   ALA  41          HB3       ALA  41  11.586  -4.254  -1.827
  279    H    ASP  42           HN       ASP  42   8.852  -3.248   1.570
  280    HA   ASP  42           HA       ASP  42  11.285  -3.851   3.082
  281   1HB   ASP  42          HB2       ASP  42   9.950  -1.686   3.309
  282   2HB   ASP  42          HB1       ASP  42   8.705  -2.633   4.110
  Start of MODEL   13
    1   1H    GLY   1           HT1      GLY   1   3.720  -8.133   9.852
    2   2H    GLY   1           HT2      GLY   1   4.500  -6.701  10.297
    3   3H    GLY   1           HT3      GLY   1   4.207  -7.026   8.664
    4   1HA   GLY   1          HA1       GLY   1   2.143  -6.533  10.743
    5   2HA   GLY   1          HA2       GLY   1   2.653  -5.381   9.515
    6    H    THR   2           HN       THR   2   0.475  -5.287   8.748
    7    HA   THR   2           HA       THR   2  -0.722  -7.674   7.599
    8    HB   THR   2           HB       THR   2  -2.327  -5.823   6.646
    9    HG1  THR   2           HG1      THR   2  -1.452  -3.909   7.054
   10   1HG2  THR   2          HG21      THR   2  -2.939  -7.387   8.406
   11   2HG2  THR   2          HG22      THR   2  -3.568  -5.772   8.733
   12   3HG2  THR   2          HG23      THR   2  -2.144  -6.353   9.597
   13    H    ALA   3           HN       ALA   3   1.087  -8.207   6.290
   14    HA   ALA   3           HA       ALA   3   2.129  -6.477   4.358
   15   1HB   ALA   3          HB1       ALA   3   3.380  -8.333   5.308
   16   2HB   ALA   3          HB2       ALA   3   3.380  -8.386   3.546
   17   3HB   ALA   3          HB3       ALA   3   2.332  -9.472   4.464
   18    H    CYS   4           HN       CYS   4   1.884  -6.283   2.205
   19    HA   CYS   4           HA       CYS   4   0.181  -8.087   0.710
   20   1HB   CYS   4          HB2       CYS   4  -1.240  -6.328  -0.221
   21   2HB   CYS   4          HB1       CYS   4  -1.449  -6.428   1.519
   22    H    SER   5           HN       SER   5   0.494  -7.756  -1.635
   23    HA   SER   5           HA       SER   5   2.952  -6.216  -2.187
   24   1HB   SER   5          HB2       SER   5   3.450  -8.622  -1.925
   25   2HB   SER   5          HB1       SER   5   2.321  -8.983  -3.229
   26    HG   SER   5           HG       SER   5   4.795  -7.626  -3.349
   27    H    CYS   6           HN       CYS   6   3.113  -5.199  -4.076
   28    HA   CYS   6           HA       CYS   6   0.851  -5.384  -5.971
   29   1HB   CYS   6          HB2       CYS   6   2.549  -2.981  -5.263
   30   2HB   CYS   6          HB1       CYS   6   1.380  -3.033  -6.579
   31    H    GLY   7           HN       GLY   7   1.847  -6.978  -7.201
   32   1HA   GLY   7          HA2       GLY   7   3.135  -7.748  -8.915
   33   2HA   GLY   7          HA1       GLY   7   3.636  -6.090  -9.211
   34    H    ASN   8           HN       ASN   8   5.615  -5.422  -8.521
   35    HA   ASN   8           HA       ASN   8   7.424  -7.484  -7.475
   36   1HB   ASN   8          HB2       ASN   8   8.152  -6.182  -9.415
   37   2HB   ASN   8          HB1       ASN   8   7.959  -4.687  -8.504
   38   1HD2  ASN   8          HD21      ASN   8   9.997  -3.959  -8.314
   39   2HD2  ASN   8          HD22      ASN   8  11.301  -4.867  -7.638
   40    H    SER   9           HN       SER   9   5.938  -4.419  -6.590
   41    HA   SER   9           HA       SER   9   7.668  -3.954  -4.363
   42   1HB   SER   9          HB2       SER   9   5.002  -2.674  -5.041
   43   2HB   SER   9          HB1       SER   9   6.220  -2.043  -3.928
   44    HG   SER   9           HG       SER   9   6.252  -1.155  -6.115
   45    H    LYS  10           HN       LYS  10   7.258  -4.206  -2.166
   46    HA   LYS  10           HA       LYS  10   4.775  -5.607  -1.406
   47   1HB   LYS  10          HB2       LYS  10   5.964  -7.251  -0.170
   48   2HB   LYS  10          HB1       LYS  10   6.582  -7.257  -1.814
   49   1HG   LYS  10          HG2       LYS  10   8.504  -5.912  -1.033
   50   2HG   LYS  10          HG1       LYS  10   7.922  -6.073   0.623
   51   1HD   LYS  10          HD2       LYS  10   8.590  -8.389  -1.206
   52   2HD   LYS  10          HD1       LYS  10   9.703  -7.697  -0.027
   53   1HE   LYS  10          HE2       LYS  10   6.993  -8.799   0.736
   54   2HE   LYS  10          HE1       LYS  10   8.462  -9.759   0.706
   55   1HZ   LYS  10          HZ1       LYS  10   7.762  -7.533   2.480
   56   2HZ   LYS  10          HZ2       LYS  10   9.394  -7.923   2.226
   57   3HZ   LYS  10          HZ3       LYS  10   8.336  -9.068   2.875
   58    H    GLY  11           HN       GLY  11   3.982  -5.092   0.588
   59   1HA   GLY  11          HA2       GLY  11   5.566  -3.779   2.579
   60   2HA   GLY  11          HA1       GLY  11   4.591  -2.636   1.682
   61    H    ILE  12           HN       ILE  12   3.155  -2.043   3.205
   62    HA   ILE  12           HA       ILE  12   1.570  -4.176   4.509
   63    HB   ILE  12           HB       ILE  12   2.435  -1.507   5.648
   64   1HG1  ILE  12          HG12      ILE  12   4.296  -3.084   5.548
   65   2HG1  ILE  12          HG11      ILE  12   3.791  -2.837   7.215
   66   1HG2  ILE  12          HG21      ILE  12   1.493  -2.464   7.782
   67   2HG2  ILE  12          HG22      ILE  12   0.733  -3.711   6.794
   68   3HG2  ILE  12          HG23      ILE  12   0.312  -2.015   6.559
   69   1HD1  ILE  12          HD11      ILE  12   2.491  -4.982   7.033
   70   2HD1  ILE  12          HD12      ILE  12   4.239  -5.138   6.929
   71   3HD1  ILE  12          HD13      ILE  12   3.266  -5.217   5.473
   72    H    TYR  13           HN       TYR  13  -0.635  -3.969   4.436
   73    HA   TYR  13           HA       TYR  13  -1.634  -1.568   3.108
   74   1HB   TYR  13          HB2       TYR  13  -3.447  -2.703   2.329
   75   2HB   TYR  13          HB1       TYR  13  -2.255  -3.955   2.330
   76    HD1  TYR  13           HD1      TYR  13  -5.366  -2.824   3.762
   77    HD2  TYR  13           HD2      TYR  13  -2.316  -5.794   3.992
   78    HE1  TYR  13           HE1      TYR  13  -6.869  -4.274   5.044
   79    HE2  TYR  13           HE2      TYR  13  -3.825  -7.247   5.277
   80    HH   TYR  13           HH       TYR  13  -6.826  -7.180   5.322
   81    H    TRP  14           HN       TRP  14  -2.850  -0.135   4.067
   82    HA   TRP  14           HA       TRP  14  -3.217  -0.398   6.964
   83   1HB   TRP  14          HB2       TRP  14  -3.188   2.010   5.121
   84   2HB   TRP  14          HB1       TRP  14  -3.459   2.072   6.861
   85    HD1  TRP  14           HD1      TRP  14  -0.662   0.274   4.819
   86    HE1  TRP  14           HE1      TRP  14   1.601   0.972   5.809
   87    HE3  TRP  14           HE3      TRP  14  -2.318   3.549   8.370
   88    HZ2  TRP  14           HZ2      TRP  14   2.565   2.705   7.815
   89    HZ3  TRP  14           HZ3      TRP  14  -0.657   4.695   9.777
   90    HH2  TRP  14           HH2      TRP  14   1.732   4.279   9.504
   91    H    PHE  15           HN       PHE  15  -5.204  -0.078   7.922
   92    HA   PHE  15           HA       PHE  15  -7.420  -0.775   6.243
   93   1HB   PHE  15          HB2       PHE  15  -7.211  -0.233   9.202
   94   2HB   PHE  15          HB1       PHE  15  -8.714  -0.700   8.414
   95    HD1  PHE  15           HD1      PHE  15  -8.924  -2.919   7.349
   96    HD2  PHE  15           HD2      PHE  15  -5.506  -1.844   9.657
   97    HE1  PHE  15           HE1      PHE  15  -8.312  -5.289   7.544
   98    HE2  PHE  15           HE2      PHE  15  -4.893  -4.215   9.852
   99    HZ   PHE  15           HZ       PHE  15  -6.292  -5.940   8.795
  100    H    TYR  16           HN       TYR  16  -8.370   0.681   5.040
  101    HA   TYR  16           HA       TYR  16  -9.401   2.519   4.281
  102   1HB   TYR  16          HB2       TYR  16 -10.298   2.583   7.167
  103   2HB   TYR  16          HB1       TYR  16 -11.062   3.485   5.863
  104    HD1  TYR  16           HD1      TYR  16 -10.806   0.274   7.511
  105    HD2  TYR  16           HD2      TYR  16 -12.175   2.237   3.985
  106    HE1  TYR  16           HE1      TYR  16 -12.220  -1.664   6.984
  107    HE2  TYR  16           HE2      TYR  16 -13.592   0.303   3.456
  108    HH   TYR  16           HH       TYR  16 -14.634  -1.793   5.336
  109    H    ARG  17           HN       ARG  17  -7.132   3.438   4.089
  110    HA   ARG  17           HA       ARG  17  -6.966   5.916   5.666
  111   1HB   ARG  17          HB2       ARG  17  -4.781   4.523   4.131
  112   2HB   ARG  17          HB1       ARG  17  -4.607   6.044   4.990
  113   1HG   ARG  17          HG2       ARG  17  -5.326   3.409   6.270
  114   2HG   ARG  17          HG1       ARG  17  -3.712   4.118   6.210
  115   1HD   ARG  17          HD2       ARG  17  -4.462   6.026   7.459
  116   2HD   ARG  17          HD1       ARG  17  -6.108   5.410   7.502
  117    HE   ARG  17           HE       ARG  17  -4.985   3.406   8.695
  118   1HH1  ARG  17          HH11      ARG  17  -4.070   6.783   9.091
  119   2HH1  ARG  17          HH12      ARG  17  -3.584   6.564  10.724
  120   1HH2  ARG  17          HH21      ARG  17  -4.318   3.154  10.854
  121   2HH2  ARG  17          HH22      ARG  17  -3.721   4.521  11.735
  122    HA   PRO  18           HA       PRO  18  -8.676   7.664   1.931
  123   1HB   PRO  18          HB2       PRO  18  -8.134  10.307   2.585
  124   2HB   PRO  18          HB1       PRO  18  -9.530   9.383   3.140
  125   1HG   PRO  18          HG2       PRO  18  -6.946   9.918   4.542
  126   2HG   PRO  18          HG1       PRO  18  -8.601   9.955   5.181
  127   1HD   PRO  18          HD2       PRO  18  -6.991   7.895   5.638
  128   2HD   PRO  18          HD1       PRO  18  -8.724   7.640   5.339
  129    H    SER  19           HN       SER  19  -5.413   8.042   3.021
  130    HA   SER  19           HA       SER  19  -4.427   8.137   0.339
  131   1HB   SER  19          HB2       SER  19  -4.896  10.551   0.827
  132   2HB   SER  19          HB1       SER  19  -3.784  10.462   2.192
  133    HG   SER  19           HG       SER  19  -2.105  10.164   0.802
  134    H    CYS  20           HN       CYS  20  -2.341   7.334   0.258
  135    HA   CYS  20           HA       CYS  20  -1.407   6.054   2.661
  136   1HB   CYS  20          HB2       CYS  20  -1.283   4.889   0.523
  137   2HB   CYS  20          HB1       CYS  20  -0.194   6.112  -0.099
  138    HA   PRO  21           HA       PRO  21   1.073   9.680   3.620
  139   1HB   PRO  21          HB2       PRO  21   2.078   8.743   5.966
  140   2HB   PRO  21          HB1       PRO  21   0.459   9.389   5.795
  141   1HG   PRO  21          HG2       PRO  21   1.351   6.549   5.915
  142   2HG   PRO  21          HG1       PRO  21  -0.083   7.311   6.625
  143   1HD   PRO  21          HD2       PRO  21  -0.110   5.830   4.325
  144   2HD   PRO  21          HD1       PRO  21  -1.289   7.098   4.701
  145    H    THR  22           HN       THR  22   2.946  10.048   2.648
  146    HA   THR  22           HA       THR  22   4.642   7.866   1.892
  147    HB   THR  22           HB       THR  22   4.135   9.625   0.289
  148    HG1  THR  22           HG1      THR  22   6.096   8.708  -0.127
  149   1HG2  THR  22          HG21      THR  22   5.374  11.858   0.643
  150   2HG2  THR  22          HG22      THR  22   5.329  11.455   2.353
  151   3HG2  THR  22          HG23      THR  22   3.831  11.600   1.441
  152    H    ASP  23           HN       ASP  23   4.916   7.666   4.461
  153    HA   ASP  23           HA       ASP  23   7.188   9.199   5.447
  154   1HB   ASP  23          HB2       ASP  23   5.669   6.892   6.693
  155   2HB   ASP  23          HB1       ASP  23   6.933   7.832   7.483
  156    H    ARG  24           HN       ARG  24   6.388   5.852   4.529
  157    HA   ARG  24           HA       ARG  24   9.224   5.119   4.797
  158   1HB   ARG  24          HB2       ARG  24   6.657   3.689   4.945
  159   2HB   ARG  24          HB1       ARG  24   7.957   2.773   4.245
  160   1HG   ARG  24          HG2       ARG  24   7.747   2.351   6.605
  161   2HG   ARG  24          HG1       ARG  24   9.289   3.116   6.231
  162   1HD   ARG  24          HD2       ARG  24   8.429   4.082   8.198
  163   2HD   ARG  24          HD1       ARG  24   8.321   5.297   6.941
  164    HE   ARG  24           HE       ARG  24   5.863   4.358   6.812
  165   1HH1  ARG  24          HH11      ARG  24   7.783   4.965   9.696
  166   2HH1  ARG  24          HH12      ARG  24   6.416   5.397  10.642
  167   1HH2  ARG  24          HH21      ARG  24   4.066   4.954   8.102
  168   2HH2  ARG  24          HH22      ARG  24   4.315   5.399   9.758
  169    H    GLY  25           HN       GLY  25   8.275   6.719   2.503
  170   1HA   GLY  25          HA2       GLY  25   8.522   6.802   0.240
  171   2HA   GLY  25          HA1       GLY  25   9.888   5.753   0.570
  172    H    TYR  26           HN       TYR  26   6.524   4.872   1.052
  173    HA   TYR  26           HA       TYR  26   6.533   2.423  -0.203
  174   1HB   TYR  26          HB2       TYR  26   4.184   4.329  -0.186
  175   2HB   TYR  26          HB1       TYR  26   4.132   2.571  -0.277
  176    HD1  TYR  26           HD1      TYR  26   5.225   1.324   1.758
  177    HD2  TYR  26           HD2      TYR  26   3.880   5.338   1.881
  178    HE1  TYR  26           HE1      TYR  26   5.082   1.170   4.197
  179    HE2  TYR  26           HE2      TYR  26   3.717   5.190   4.328
  180    HH   TYR  26           HH       TYR  26   4.988   2.554   6.143
  181    H    THR  27           HN       THR  27   6.380   1.711  -2.264
  182    HA   THR  27           HA       THR  27   6.793   3.652  -4.371
  183    HB   THR  27           HB       THR  27   6.760   0.617  -4.607
  184    HG1  THR  27           HG1      THR  27   8.961   2.357  -4.007
  185   1HG2  THR  27          HG21      THR  27   8.259   1.075  -6.518
  186   2HG2  THR  27          HG22      THR  27   7.999   2.803  -6.291
  187   3HG2  THR  27          HG23      THR  27   6.651   1.758  -6.744
  188    H    GLY  28           HN       GLY  28   4.554   0.932  -3.738
  189   1HA   GLY  28          HA2       GLY  28   2.702   2.129  -5.726
  190   2HA   GLY  28          HA1       GLY  28   2.871   0.414  -5.411
  191    H    SER  29           HN       SER  29   0.976   3.022  -4.830
  192    HA   SER  29           HA       SER  29  -0.049   1.996  -2.258
  193   1HB   SER  29          HB2       SER  29  -0.806   4.516  -3.757
  194   2HB   SER  29          HB1       SER  29  -1.304   4.057  -2.127
  195    HG   SER  29           HG       SER  29   0.836   4.275  -1.461
  196    H    CYS  30           HN       CYS  30  -1.069   0.131  -3.027
  197    HA   CYS  30           HA       CYS  30  -3.057   0.413  -5.170
  198   1HB   CYS  30          HB2       CYS  30  -2.238  -2.065  -3.647
  199   2HB   CYS  30          HB1       CYS  30  -3.175  -1.989  -5.125
  200    H    ARG  31           HN       ARG  31  -5.273  -0.140  -4.856
  201    HA   ARG  31           HA       ARG  31  -6.173   0.336  -2.133
  202   1HB   ARG  31          HB2       ARG  31  -7.279   0.885  -4.651
  203   2HB   ARG  31          HB1       ARG  31  -8.312  -0.373  -3.998
  204   1HG   ARG  31          HG2       ARG  31  -7.687   2.302  -2.787
  205   2HG   ARG  31          HG1       ARG  31  -9.233   1.722  -3.402
  206   1HD   ARG  31          HD2       ARG  31  -7.790   0.571  -1.023
  207   2HD   ARG  31          HD1       ARG  31  -9.071   1.731  -0.920
  208    HE   ARG  31           HE       ARG  31  -9.288  -1.100  -1.565
  209   1HH1  ARG  31          HH11      ARG  31 -10.894   2.024  -1.395
  210   2HH1  ARG  31          HH12      ARG  31 -12.469   1.340  -1.470
  211   1HH2  ARG  31          HH21      ARG  31 -11.394  -1.983  -1.676
  212   2HH2  ARG  31          HH22      ARG  31 -12.767  -0.928  -1.634
  213    H    TYR  32           HN       TYR  32  -5.794  -1.417  -0.908
  214    HA   TYR  32           HA       TYR  32  -6.370  -4.091  -1.875
  215   1HB   TYR  32          HB2       TYR  32  -4.517  -3.460  -0.233
  216   2HB   TYR  32          HB1       TYR  32  -5.753  -3.277   0.985
  217    HD1  TYR  32           HD1      TYR  32  -4.088  -5.679  -1.289
  218    HD2  TYR  32           HD2      TYR  32  -6.722  -5.211   2.023
  219    HE1  TYR  32           HE1      TYR  32  -3.990  -8.097  -0.870
  220    HE2  TYR  32           HE2      TYR  32  -6.632  -7.625   2.446
  221    HH   TYR  32           HH       TYR  32  -4.581  -9.558   1.686
  222    H    PHE  33           HN       PHE  33  -7.894  -5.464  -0.665
  223    HA   PHE  33           HA       PHE  33 -10.423  -4.607  -0.990
  224   1HB   PHE  33          HB2       PHE  33  -9.652  -6.660   1.078
  225   2HB   PHE  33          HB1       PHE  33 -11.191  -6.549   0.231
  226    HD1  PHE  33           HD1      PHE  33  -8.084  -8.149   0.312
  227    HD2  PHE  33           HD2      PHE  33 -10.983  -6.641  -2.410
  228    HE1  PHE  33           HE1      PHE  33  -7.181  -9.606  -1.442
  229    HE2  PHE  33           HE2      PHE  33 -10.092  -8.107  -4.167
  230    HZ   PHE  33           HZ       PHE  33  -8.190  -9.591  -3.688
  231    H    LEU  34           HN       LEU  34  -8.624  -4.349   2.074
  232    HA   LEU  34           HA       LEU  34 -10.959  -2.951   3.221
  233   1HB   LEU  34          HB2       LEU  34  -8.731  -4.401   4.633
  234   2HB   LEU  34          HB1       LEU  34 -10.019  -3.531   5.425
  235    HG   LEU  34           HG       LEU  34 -10.635  -5.765   5.597
  236   1HD1  LEU  34          HD11      LEU  34 -12.669  -5.956   4.363
  237   2HD1  LEU  34          HD12      LEU  34 -12.110  -4.818   3.140
  238   3HD1  LEU  34          HD13      LEU  34 -12.439  -4.261   4.783
  239   1HD2  LEU  34          HD21      LEU  34 -10.684  -6.664   2.862
  240   2HD2  LEU  34          HD22      LEU  34  -9.901  -7.361   4.271
  241   3HD2  LEU  34          HD23      LEU  34  -9.058  -6.151   3.314
  242    H    GLY  35           HN       GLY  35  -8.311  -1.965   1.697
  243   1HA   GLY  35          HA2       GLY  35  -8.385   0.577   2.666
  244   2HA   GLY  35          HA1       GLY  35  -7.250  -0.233   3.716
  245    H    THR  36           HN       THR  36  -5.510   0.951   3.141
  246    HA   THR  36           HA       THR  36  -4.846   1.170   0.300
  247    HB   THR  36           HB       THR  36  -3.402   2.624   2.518
  248    HG1  THR  36           HG1      THR  36  -5.982   3.316   1.466
  249   1HG2  THR  36          HG21      THR  36  -2.593   2.924   0.247
  250   2HG2  THR  36          HG22      THR  36  -3.378   4.401   0.806
  251   3HG2  THR  36          HG23      THR  36  -4.219   3.328  -0.311
  252    H    CYS  37           HN       CYS  37  -3.596  -0.412  -0.418
  253    HA   CYS  37           HA       CYS  37  -1.666  -1.781   1.208
  254   1HB   CYS  37          HB2       CYS  37  -2.957  -2.956  -0.493
  255   2HB   CYS  37          HB1       CYS  37  -2.254  -1.956  -1.730
  256    H    CYS  38           HN       CYS  38  -0.114  -0.326   1.831
  257    HA   CYS  38           HA       CYS  38   1.220   1.289  -0.212
  258   1HB   CYS  38          HB2       CYS  38   1.571   1.145   2.790
  259   2HB   CYS  38          HB1       CYS  38   2.387   2.254   1.723
  260    H    THR  39           HN       THR  39   2.590   0.086  -1.413
  261    HA   THR  39           HA       THR  39   4.334  -1.841  -0.039
  262    HB   THR  39           HB       THR  39   4.418  -3.040  -2.189
  263    HG1  THR  39           HG1      THR  39   2.375  -1.226  -3.032
  264   1HG2  THR  39          HG21      THR  39   1.667  -2.506  -1.157
  265   2HG2  THR  39          HG22      THR  39   2.784  -3.686  -0.507
  266   3HG2  THR  39          HG23      THR  39   2.132  -3.897  -2.130
  267    HA   PRO  40           HA       PRO  40   7.747   0.341  -2.017
  268   1HB   PRO  40          HB2       PRO  40   9.441   0.091   0.162
  269   2HB   PRO  40          HB1       PRO  40   8.412   1.468  -0.171
  270   1HG   PRO  40          HG2       PRO  40   8.172  -0.432   1.959
  271   2HG   PRO  40          HG1       PRO  40   7.197   0.999   1.650
  272   1HD   PRO  40          HD2       PRO  40   6.643  -1.816   1.042
  273   2HD   PRO  40          HD1       PRO  40   5.509  -0.486   1.215
  274    H    ALA  41           HN       ALA  41   8.897  -1.924   0.386
  275    HA   ALA  41           HA       ALA  41   9.239  -4.205  -1.172
  276   1HB   ALA  41          HB1       ALA  41  11.670  -2.429  -0.984
  277   2HB   ALA  41          HB2       ALA  41  10.830  -2.903  -2.458
  278   3HB   ALA  41          HB3       ALA  41  11.690  -4.113  -1.511
  279    H    ASP  42           HN       ASP  42   8.408  -3.360   1.434
  280    HA   ASP  42           HA       ASP  42  10.569  -3.960   3.261
  281   1HB   ASP  42          HB2       ASP  42   8.969  -2.103   3.669
  282   2HB   ASP  42          HB1       ASP  42   7.673  -3.282   3.847
  Start of MODEL   14
    1   1H    GLY   1           HT1      GLY   1   2.107  -9.120  10.764
    2   2H    GLY   1           HT2      GLY   1   3.420  -8.157  11.215
    3   3H    GLY   1           HT3      GLY   1   3.318  -8.752   9.636
    4   1HA   GLY   1          HA1       GLY   1   1.471  -6.796  10.889
    5   2HA   GLY   1          HA2       GLY   1   2.728  -6.413   9.720
    6    H    THR   2           HN       THR   2   0.427  -5.547   8.941
    7    HA   THR   2           HA       THR   2  -1.098  -7.524   7.470
    8    HB   THR   2           HB       THR   2  -2.213  -5.334   6.580
    9    HG1  THR   2           HG1      THR   2  -1.062  -4.136   8.851
   10   1HG2  THR   2          HG21      THR   2  -3.512  -6.519   8.064
   11   2HG2  THR   2          HG22      THR   2  -3.268  -4.993   8.903
   12   3HG2  THR   2          HG23      THR   2  -2.322  -6.398   9.365
   13    H    ALA   3           HN       ALA   3   0.844  -8.282   6.348
   14    HA   ALA   3           HA       ALA   3   2.233  -6.691   4.489
   15   1HB   ALA   3          HB1       ALA   3   3.136  -8.781   3.647
   16   2HB   ALA   3          HB2       ALA   3   1.906  -9.684   4.534
   17   3HB   ALA   3          HB3       ALA   3   3.125  -8.760   5.409
   18    H    CYS   4           HN       CYS   4   2.014  -6.380   2.343
   19    HA   CYS   4           HA       CYS   4  -0.162  -7.666   0.866
   20   1HB   CYS   4          HB2       CYS   4  -1.273  -5.723   1.701
   21   2HB   CYS   4          HB1       CYS   4   0.096  -4.690   1.324
   22    H    SER   5           HN       SER   5   0.152  -7.604  -1.397
   23    HA   SER   5           HA       SER   5   2.802  -6.604  -2.238
   24   1HB   SER   5          HB2       SER   5   1.547  -9.251  -2.984
   25   2HB   SER   5          HB1       SER   5   3.084  -8.624  -3.585
   26    HG   SER   5           HG       SER   5   3.501  -9.994  -1.883
   27    H    CYS   6           HN       CYS   6   2.941  -5.673  -4.146
   28    HA   CYS   6           HA       CYS   6   0.617  -5.678  -5.969
   29   1HB   CYS   6          HB2       CYS   6   2.580  -3.426  -5.484
   30   2HB   CYS   6          HB1       CYS   6   1.306  -3.431  -6.691
   31    H    GLY   7           HN       GLY   7   1.753  -7.643  -6.715
   32   1HA   GLY   7          HA2       GLY   7   3.036  -8.721  -8.255
   33   2HA   GLY   7          HA1       GLY   7   3.314  -7.163  -9.020
   34    H    ASN   8           HN       ASN   8   5.234  -6.145  -8.724
   35    HA   ASN   8           HA       ASN   8   7.404  -7.666  -7.544
   36   1HB   ASN   8          HB2       ASN   8   7.318  -4.945  -8.876
   37   2HB   ASN   8          HB1       ASN   8   8.793  -5.721  -8.309
   38   1HD2  ASN   8          HD21      ASN   8   6.266  -5.767 -10.709
   39   2HD2  ASN   8          HD22      ASN   8   7.066  -6.860 -11.780
   40    H    SER   9           HN       SER   9   5.566  -4.740  -6.855
   41    HA   SER   9           HA       SER   9   7.321  -3.881  -4.765
   42   1HB   SER   9          HB2       SER   9   5.915  -2.383  -6.223
   43   2HB   SER   9          HB1       SER   9   4.502  -2.932  -5.338
   44    HG   SER   9           HG       SER   9   5.498  -0.947  -4.570
   45    H    LYS  10           HN       LYS  10   7.120  -4.156  -2.560
   46    HA   LYS  10           HA       LYS  10   4.769  -5.659  -1.565
   47   1HB   LYS  10          HB2       LYS  10   7.662  -6.335  -0.985
   48   2HB   LYS  10          HB1       LYS  10   6.251  -7.129  -0.286
   49   1HG   LYS  10          HG2       LYS  10   5.593  -7.934  -2.483
   50   2HG   LYS  10          HG1       LYS  10   6.966  -7.098  -3.209
   51   1HD   LYS  10          HD2       LYS  10   8.490  -8.487  -1.842
   52   2HD   LYS  10          HD1       LYS  10   7.087  -9.361  -1.219
   53   1HE   LYS  10          HE2       LYS  10   8.127 -10.601  -3.026
   54   2HE   LYS  10          HE1       LYS  10   6.520 -10.057  -3.508
   55   1HZ   LYS  10          HZ1       LYS  10   8.327  -9.768  -5.197
   56   2HZ   LYS  10          HZ2       LYS  10   9.001  -8.574  -4.210
   57   3HZ   LYS  10          HZ3       LYS  10   7.447  -8.370  -4.851
   58    H    GLY  11           HN       GLY  11   4.131  -5.175   0.487
   59   1HA   GLY  11          HA2       GLY  11   5.703  -3.826   2.397
   60   2HA   GLY  11          HA1       GLY  11   4.784  -2.652   1.498
   61    H    ILE  12           HN       ILE  12   3.359  -1.982   3.008
   62    HA   ILE  12           HA       ILE  12   1.711  -4.036   4.362
   63    HB   ILE  12           HB       ILE  12   2.716  -1.398   5.464
   64   1HG1  ILE  12          HG12      ILE  12   4.503  -3.079   5.310
   65   2HG1  ILE  12          HG11      ILE  12   4.079  -2.750   6.984
   66   1HG2  ILE  12          HG21      ILE  12   1.798  -2.301   7.626
   67   2HG2  ILE  12          HG22      ILE  12   0.970  -3.533   6.673
   68   3HG2  ILE  12          HG23      ILE  12   0.598  -1.827   6.430
   69   1HD1  ILE  12          HD11      ILE  12   2.716  -4.823   6.995
   70   2HD1  ILE  12          HD12      ILE  12   4.427  -5.095   6.693
   71   3HD1  ILE  12          HD13      ILE  12   3.286  -5.147   5.363
   72    H    TYR  13           HN       TYR  13  -0.485  -3.732   4.381
   73    HA   TYR  13           HA       TYR  13  -1.429  -1.279   3.067
   74   1HB   TYR  13          HB2       TYR  13  -3.381  -2.360   2.400
   75   2HB   TYR  13          HB1       TYR  13  -2.111  -3.538   2.123
   76    HD1  TYR  13           HD1      TYR  13  -5.196  -2.828   3.867
   77    HD2  TYR  13           HD2      TYR  13  -1.848  -5.459   3.728
   78    HE1  TYR  13           HE1      TYR  13  -6.437  -4.488   5.176
   79    HE2  TYR  13           HE2      TYR  13  -3.090  -7.119   5.034
   80    HH   TYR  13           HH       TYR  13  -6.007  -7.424   5.332
   81    H    TRP  14           HN       TRP  14  -2.890   0.048   4.003
   82    HA   TRP  14           HA       TRP  14  -3.142  -0.257   6.925
   83   1HB   TRP  14          HB2       TRP  14  -3.159   2.208   5.168
   84   2HB   TRP  14          HB1       TRP  14  -3.395   2.208   6.913
   85    HD1  TRP  14           HD1      TRP  14  -0.659   1.439   4.294
   86    HE1  TRP  14           HE1      TRP  14   1.634   1.711   5.431
   87    HE3  TRP  14           HE3      TRP  14  -2.214   2.264   9.097
   88    HZ2  TRP  14           HZ2      TRP  14   2.651   2.212   8.008
   89    HZ3  TRP  14           HZ3      TRP  14  -0.513   2.632  10.836
   90    HH2  TRP  14           HH2      TRP  14   1.867   2.606  10.303
   91    H    PHE  15           HN       PHE  15  -5.088  -0.145   7.898
   92    HA   PHE  15           HA       PHE  15  -7.332  -0.769   6.252
   93   1HB   PHE  15          HB2       PHE  15  -7.024  -0.401   9.228
   94   2HB   PHE  15          HB1       PHE  15  -8.570  -0.795   8.488
   95    HD1  PHE  15           HD1      PHE  15  -8.660  -2.889   6.997
   96    HD2  PHE  15           HD2      PHE  15  -5.559  -2.119   9.815
   97    HE1  PHE  15           HE1      PHE  15  -8.115  -5.284   7.047
   98    HE2  PHE  15           HE2      PHE  15  -5.016  -4.511   9.870
   99    HZ   PHE  15           HZ       PHE  15  -6.285  -6.100   8.481
  100    H    TYR  16           HN       TYR  16  -8.621   0.573   5.299
  101    HA   TYR  16           HA       TYR  16  -9.808   2.378   4.712
  102   1HB   TYR  16          HB2       TYR  16 -10.321   2.126   7.665
  103   2HB   TYR  16          HB1       TYR  16 -11.186   3.314   6.693
  104    HD1  TYR  16           HD1      TYR  16 -12.692   2.607   4.889
  105    HD2  TYR  16           HD2      TYR  16 -10.836  -0.238   7.461
  106    HE1  TYR  16           HE1      TYR  16 -14.282   0.897   4.136
  107    HE2  TYR  16           HE2      TYR  16 -12.427  -1.954   6.711
  108    HH   TYR  16           HH       TYR  16 -15.087  -1.625   5.553
  109    H    ARG  17           HN       ARG  17  -7.030   3.042   5.162
  110    HA   ARG  17           HA       ARG  17  -7.300   5.876   5.899
  111   1HB   ARG  17          HB2       ARG  17  -4.839   4.247   5.310
  112   2HB   ARG  17          HB1       ARG  17  -4.848   5.989   5.576
  113   1HG   ARG  17          HG2       ARG  17  -5.815   5.557   7.837
  114   2HG   ARG  17          HG1       ARG  17  -5.570   3.831   7.545
  115   1HD   ARG  17          HD2       ARG  17  -3.157   4.279   7.184
  116   2HD   ARG  17          HD1       ARG  17  -3.467   5.971   7.560
  117    HE   ARG  17           HE       ARG  17  -4.207   3.978   9.571
  118   1HH1  ARG  17          HH11      ARG  17  -1.945   6.461   8.521
  119   2HH1  ARG  17          HH12      ARG  17  -1.196   6.574  10.063
  120   1HH2  ARG  17          HH21      ARG  17  -3.196   4.153  11.601
  121   2HH2  ARG  17          HH22      ARG  17  -1.890   5.271  11.816
  122    HA   PRO  18           HA       PRO  18  -8.066   5.942   1.396
  123   1HB   PRO  18          HB2       PRO  18  -8.918   8.554   1.329
  124   2HB   PRO  18          HB1       PRO  18  -9.944   7.186   1.764
  125   1HG   PRO  18          HG2       PRO  18  -8.522   9.115   3.548
  126   2HG   PRO  18          HG1       PRO  18 -10.170   8.474   3.674
  127   1HD   PRO  18          HD2       PRO  18  -8.144   7.535   5.169
  128   2HD   PRO  18          HD1       PRO  18  -9.462   6.491   4.601
  129    H    SER  19           HN       SER  19  -5.854   7.677   3.349
  130    HA   SER  19           HA       SER  19  -4.446   8.718   0.985
  131   1HB   SER  19          HB2       SER  19  -5.314  10.400   2.670
  132   2HB   SER  19          HB1       SER  19  -4.189   9.711   3.836
  133    HG   SER  19           HG       SER  19  -3.429  11.582   2.606
  134    H    CYS  20           HN       CYS  20  -2.760   7.446   0.501
  135    HA   CYS  20           HA       CYS  20  -1.688   5.553   2.316
  136   1HB   CYS  20          HB2       CYS  20  -1.663   5.107  -0.051
  137   2HB   CYS  20          HB1       CYS  20  -0.652   6.499  -0.344
  138    HA   PRO  21           HA       PRO  21   1.239   8.392   4.255
  139   1HB   PRO  21          HB2       PRO  21   2.304   6.010   5.618
  140   2HB   PRO  21          HB1       PRO  21   1.461   7.406   6.279
  141   1HG   PRO  21          HG2       PRO  21   0.373   4.931   6.154
  142   2HG   PRO  21          HG1       PRO  21  -0.588   6.420   6.091
  143   1HD   PRO  21          HD2       PRO  21   0.281   4.631   3.887
  144   2HD   PRO  21          HD1       PRO  21  -1.285   5.418   4.140
  145    H    THR  22           HN       THR  22   2.072   8.238   1.874
  146    HA   THR  22           HA       THR  22   4.216   6.426   1.337
  147    HB   THR  22           HB       THR  22   2.832   7.191  -0.502
  148    HG1  THR  22           HG1      THR  22   4.887   6.790  -1.217
  149   1HG2  THR  22          HG21      THR  22   3.134   9.631  -1.239
  150   2HG2  THR  22          HG22      THR  22   3.634   9.942   0.418
  151   3HG2  THR  22          HG23      THR  22   2.030   9.289   0.084
  152    H    ASP  23           HN       ASP  23   4.198   8.764   3.472
  153    HA   ASP  23           HA       ASP  23   6.686  10.099   2.929
  154   1HB   ASP  23          HB2       ASP  23   4.986  11.263   4.220
  155   2HB   ASP  23          HB1       ASP  23   4.905   9.941   5.377
  156    H    ARG  24           HN       ARG  24   5.588   7.104   4.164
  157    HA   ARG  24           HA       ARG  24   7.992   6.612   5.747
  158   1HB   ARG  24          HB2       ARG  24   5.510   4.982   5.276
  159   2HB   ARG  24          HB1       ARG  24   6.843   4.483   6.303
  160   1HG   ARG  24          HG2       ARG  24   6.440   6.341   7.788
  161   2HG   ARG  24          HG1       ARG  24   5.171   6.954   6.725
  162   1HD   ARG  24          HD2       ARG  24   4.295   5.743   8.662
  163   2HD   ARG  24          HD1       ARG  24   3.813   5.032   7.136
  164    HE   ARG  24           HE       ARG  24   5.611   3.357   7.488
  165   1HH1  ARG  24          HH11      ARG  24   4.206   4.997  10.264
  166   2HH1  ARG  24          HH12      ARG  24   4.570   3.703  11.332
  167   1HH2  ARG  24          HH21      ARG  24   6.090   1.675   8.925
  168   2HH2  ARG  24          HH22      ARG  24   5.635   1.817  10.590
  169    H    GLY  25           HN       GLY  25   8.181   6.898   2.809
  170   1HA   GLY  25          HA2       GLY  25   9.726   6.023   1.403
  171   2HA   GLY  25          HA1       GLY  25   9.897   4.639   2.465
  172    H    TYR  26           HN       TYR  26   6.692   4.643   2.010
  173    HA   TYR  26           HA       TYR  26   6.616   2.456   0.290
  174   1HB   TYR  26          HB2       TYR  26   4.391   4.432   0.808
  175   2HB   TYR  26          HB1       TYR  26   4.214   2.794   0.203
  176    HD1  TYR  26           HD1      TYR  26   5.658   1.113   1.889
  177    HD2  TYR  26           HD2      TYR  26   3.603   4.597   2.960
  178    HE1  TYR  26           HE1      TYR  26   5.448   0.222   4.164
  179    HE2  TYR  26           HE2      TYR  26   3.360   3.773   5.260
  180    HH   TYR  26           HH       TYR  26   5.101   1.466   6.579
  181    H    THR  27           HN       THR  27   6.616   2.273  -1.904
  182    HA   THR  27           HA       THR  27   6.835   4.780  -3.430
  183    HB   THR  27           HB       THR  27   8.729   3.155  -3.556
  184    HG1  THR  27           HG1      THR  27   8.560   4.483  -5.310
  185   1HG2  THR  27          HG21      THR  27   8.530   1.093  -4.740
  186   2HG2  THR  27          HG22      THR  27   6.837   1.392  -5.108
  187   3HG2  THR  27          HG23      THR  27   7.339   1.082  -3.465
  188    H    GLY  28           HN       GLY  28   4.972   1.801  -3.259
  189   1HA   GLY  28          HA2       GLY  28   3.292   2.733  -5.505
  190   2HA   GLY  28          HA1       GLY  28   3.467   1.072  -4.963
  191    H    SER  29           HN       SER  29   1.062   2.729  -5.275
  192    HA   SER  29           HA       SER  29   0.011   2.392  -2.533
  193   1HB   SER  29          HB2       SER  29  -0.563   4.744  -4.354
  194   2HB   SER  29          HB1       SER  29  -1.224   4.474  -2.738
  195    HG   SER  29           HG       SER  29   0.656   5.912  -2.898
  196    H    CYS  30           HN       CYS  30  -0.788   0.402  -3.317
  197    HA   CYS  30           HA       CYS  30  -2.848   0.487  -5.414
  198   1HB   CYS  30          HB2       CYS  30  -2.023  -1.908  -3.771
  199   2HB   CYS  30          HB1       CYS  30  -2.787  -1.874  -5.348
  200    H    ARG  31           HN       ARG  31  -4.994  -0.607  -4.846
  201    HA   ARG  31           HA       ARG  31  -5.695   0.059  -2.057
  202   1HB   ARG  31          HB2       ARG  31  -7.176   1.151  -3.621
  203   2HB   ARG  31          HB1       ARG  31  -7.542  -0.389  -4.400
  204   1HG   ARG  31          HG2       ARG  31  -8.499  -1.207  -2.270
  205   2HG   ARG  31          HG1       ARG  31  -8.172   0.365  -1.547
  206   1HD   ARG  31          HD2       ARG  31  -9.702   1.404  -3.049
  207   2HD   ARG  31          HD1       ARG  31  -9.948  -0.098  -3.937
  208    HE   ARG  31           HE       ARG  31 -10.753  -0.935  -1.596
  209   1HH1  ARG  31          HH11      ARG  31 -11.355   2.259  -2.959
  210   2HH1  ARG  31          HH12      ARG  31 -12.887   2.405  -2.196
  211   1HH2  ARG  31          HH21      ARG  31 -12.798  -0.692  -0.603
  212   2HH2  ARG  31          HH22      ARG  31 -13.713   0.755  -0.871
  213    H    TYR  32           HN       TYR  32  -6.031  -1.490  -0.681
  214    HA   TYR  32           HA       TYR  32  -6.277  -4.271  -1.617
  215   1HB   TYR  32          HB2       TYR  32  -4.637  -3.375   0.284
  216   2HB   TYR  32          HB1       TYR  32  -6.071  -3.486   1.284
  217    HD1  TYR  32           HD1      TYR  32  -6.853  -5.631   2.052
  218    HD2  TYR  32           HD2      TYR  32  -3.786  -5.403  -0.869
  219    HE1  TYR  32           HE1      TYR  32  -6.402  -8.031   2.344
  220    HE2  TYR  32           HE2      TYR  32  -3.298  -7.788  -0.572
  221    HH   TYR  32           HH       TYR  32  -5.065  -9.900   0.428
  222    H    PHE  33           HN       PHE  33  -8.092  -5.520  -0.720
  223    HA   PHE  33           HA       PHE  33 -10.491  -4.237  -1.068
  224   1HB   PHE  33          HB2       PHE  33 -10.070  -6.718  -1.024
  225   2HB   PHE  33          HB1       PHE  33 -10.172  -6.660   0.713
  226    HD1  PHE  33           HD1      PHE  33 -12.307  -6.494   1.812
  227    HD2  PHE  33           HD2      PHE  33 -12.021  -6.146  -2.420
  228    HE1  PHE  33           HE1      PHE  33 -14.749  -6.664   1.641
  229    HE2  PHE  33           HE2      PHE  33 -14.463  -6.325  -2.602
  230    HZ   PHE  33           HZ       PHE  33 -15.833  -6.583  -0.569
  231    H    LEU  34           HN       LEU  34  -8.644  -4.448   1.924
  232    HA   LEU  34           HA       LEU  34 -10.874  -3.230   3.407
  233   1HB   LEU  34          HB2       LEU  34  -8.403  -4.640   4.409
  234   2HB   LEU  34          HB1       LEU  34  -9.660  -3.961   5.418
  235    HG   LEU  34           HG       LEU  34 -10.070  -6.268   5.387
  236   1HD1  LEU  34          HD11      LEU  34 -12.239  -6.472   4.363
  237   2HD1  LEU  34          HD12      LEU  34 -11.925  -5.090   3.319
  238   3HD1  LEU  34          HD13      LEU  34 -12.066  -4.865   5.061
  239   1HD2  LEU  34          HD21      LEU  34 -10.116  -6.374   2.410
  240   2HD2  LEU  34          HD22      LEU  34  -9.997  -7.688   3.549
  241   3HD2  LEU  34          HD23      LEU  34  -8.621  -6.620   3.290
  242    H    GLY  35           HN       GLY  35  -8.209  -2.114   1.807
  243   1HA   GLY  35          HA2       GLY  35  -8.371   0.429   2.884
  244   2HA   GLY  35          HA1       GLY  35  -7.112  -0.396   3.778
  245    H    THR  36           HN       THR  36  -5.610   1.163   2.951
  246    HA   THR  36           HA       THR  36  -5.104   0.993   0.061
  247    HB   THR  36           HB       THR  36  -3.967   2.931   2.097
  248    HG1  THR  36           HG1      THR  36  -6.025   3.248   0.124
  249   1HG2  THR  36          HG21      THR  36  -3.699   2.704  -0.902
  250   2HG2  THR  36          HG22      THR  36  -2.422   2.785   0.304
  251   3HG2  THR  36          HG23      THR  36  -3.415   4.198  -0.020
  252    H    CYS  37           HN       CYS  37  -3.557  -0.231  -0.682
  253    HA   CYS  37           HA       CYS  37  -1.680  -1.517   1.101
  254   1HB   CYS  37          HB2       CYS  37  -2.824  -2.863  -0.539
  255   2HB   CYS  37          HB1       CYS  37  -2.230  -1.842  -1.823
  256    H    CYS  38           HN       CYS  38  -0.097  -0.138   1.703
  257    HA   CYS  38           HA       CYS  38   1.222   1.475  -0.366
  258   1HB   CYS  38          HB2       CYS  38   1.476   1.500   2.647
  259   2HB   CYS  38          HB1       CYS  38   2.296   2.572   1.533
  260    H    THR  39           HN       THR  39   2.795   0.455  -1.421
  261    HA   THR  39           HA       THR  39   4.452  -1.469   0.055
  262    HB   THR  39           HB       THR  39   4.728  -2.578  -2.215
  263    HG1  THR  39           HG1      THR  39   2.407  -1.039  -2.886
  264   1HG2  THR  39          HG21      THR  39   2.364  -2.576  -0.458
  265   2HG2  THR  39          HG22      THR  39   3.341  -3.900  -1.081
  266   3HG2  THR  39          HG23      THR  39   2.107  -3.198  -2.083
  267    HA   PRO  40           HA       PRO  40   7.962   0.607  -1.841
  268   1HB   PRO  40          HB2       PRO  40   9.662   0.329   0.246
  269   2HB   PRO  40          HB1       PRO  40   8.475   1.601   0.138
  270   1HG   PRO  40          HG2       PRO  40   8.494  -0.685   1.934
  271   2HG   PRO  40          HG1       PRO  40   7.548   0.790   2.013
  272   1HD   PRO  40          HD2       PRO  40   6.828  -1.828   0.957
  273   2HD   PRO  40          HD1       PRO  40   5.758  -0.508   1.362
  274    H    ALA  41           HN       ALA  41   9.541  -1.542   0.334
  275    HA   ALA  41           HA       ALA  41   9.452  -3.849  -1.355
  276   1HB   ALA  41          HB1       ALA  41  11.880  -4.022  -1.622
  277   2HB   ALA  41          HB2       ALA  41  12.088  -2.444  -0.860
  278   3HB   ALA  41          HB3       ALA  41  11.263  -2.572  -2.412
  279    H    ASP  42           HN       ASP  42   8.374  -3.523   1.081
  280    HA   ASP  42           HA       ASP  42  10.284  -4.266   3.149
  281   1HB   ASP  42          HB2       ASP  42   8.424  -2.590   3.489
  282   2HB   ASP  42          HB1       ASP  42   7.287  -3.919   3.395
  Start of MODEL   15
    1   1H    GLY   1           HT1      GLY   1   1.886  -7.068  11.181
    2   2H    GLY   1           HT2      GLY   1   1.873  -5.498  10.545
    3   3H    GLY   1           HT3      GLY   1   3.304  -6.147  11.168
    4   1HA   GLY   1          HA1       GLY   1   3.364  -6.171   8.773
    5   2HA   GLY   1          HA2       GLY   1   3.379  -7.799   9.433
    6    H    THR   2           HN       THR   2   0.976  -5.333   8.440
    7    HA   THR   2           HA       THR   2  -0.834  -7.421   7.533
    8    HB   THR   2           HB       THR   2  -2.122  -5.338   6.680
    9    HG1  THR   2           HG1      THR   2  -1.468  -3.390   7.372
   10   1HG2  THR   2          HG21      THR   2  -2.222  -6.695   9.015
   11   2HG2  THR   2          HG22      THR   2  -3.293  -5.384   8.563
   12   3HG2  THR   2          HG23      THR   2  -1.893  -5.052   9.570
   13    H    ALA   3           HN       ALA   3   0.161  -8.491   5.961
   14    HA   ALA   3           HA       ALA   3   1.899  -7.388   4.112
   15   1HB   ALA   3          HB1       ALA   3   1.960  -9.583   3.096
   16   2HB   ALA   3          HB2       ALA   3   0.482 -10.040   3.949
   17   3HB   ALA   3          HB3       ALA   3   1.955  -9.702   4.855
   18    H    CYS   4           HN       CYS   4   1.744  -6.582   2.162
   19    HA   CYS   4           HA       CYS   4  -0.560  -7.181   0.470
   20   1HB   CYS   4          HB2       CYS   4  -1.055  -4.995   1.520
   21   2HB   CYS   4          HB1       CYS   4   0.459  -4.356   0.896
   22    H    SER   5           HN       SER   5  -0.033  -6.979  -1.797
   23    HA   SER   5           HA       SER   5   2.810  -6.533  -2.391
   24   1HB   SER   5          HB2       SER   5   1.315  -9.034  -3.216
   25   2HB   SER   5          HB1       SER   5   2.999  -8.635  -3.570
   26    HG   SER   5           HG       SER   5   1.818  -9.323  -1.103
   27    H    CYS   6           HN       CYS   6   3.162  -5.591  -4.278
   28    HA   CYS   6           HA       CYS   6   1.002  -5.510  -6.290
   29   1HB   CYS   6          HB2       CYS   6   2.761  -3.179  -5.481
   30   2HB   CYS   6          HB1       CYS   6   1.534  -3.178  -6.743
   31    H    GLY   7           HN       GLY   7   2.182  -7.246  -7.261
   32   1HA   GLY   7          HA2       GLY   7   3.554  -8.050  -8.877
   33   2HA   GLY   7          HA1       GLY   7   3.930  -6.386  -9.294
   34    H    ASN   8           HN       ASN   8   5.890  -5.603  -8.793
   35    HA   ASN   8           HA       ASN   8   7.824  -7.490  -7.706
   36   1HB   ASN   8          HB2       ASN   8   8.233  -6.150  -9.783
   37   2HB   ASN   8          HB1       ASN   8   8.267  -4.694  -8.795
   38   1HD2  ASN   8          HD21      ASN   8  10.395  -4.217  -9.327
   39   2HD2  ASN   8          HD22      ASN   8  11.719  -5.157  -8.738
   40    H    SER   9           HN       SER   9   5.918  -4.892  -6.564
   41    HA   SER   9           HA       SER   9   7.807  -4.259  -4.408
   42   1HB   SER   9          HB2       SER   9   5.201  -2.916  -5.158
   43   2HB   SER   9          HB1       SER   9   6.409  -2.329  -4.009
   44    HG   SER   9           HG       SER   9   7.787  -1.916  -5.656
   45    H    LYS  10           HN       LYS  10   7.395  -4.692  -2.298
   46    HA   LYS  10           HA       LYS  10   4.823  -6.011  -1.612
   47   1HB   LYS  10          HB2       LYS  10   7.541  -6.685  -0.427
   48   2HB   LYS  10          HB1       LYS  10   6.002  -7.430  -0.031
   49   1HG   LYS  10          HG2       LYS  10   6.995  -8.992  -1.388
   50   2HG   LYS  10          HG1       LYS  10   5.924  -8.144  -2.505
   51   1HD   LYS  10          HD2       LYS  10   7.845  -6.800  -3.279
   52   2HD   LYS  10          HD1       LYS  10   8.885  -7.649  -2.156
   53   1HE   LYS  10          HE2       LYS  10   7.345  -8.928  -4.408
   54   2HE   LYS  10          HE1       LYS  10   9.043  -8.463  -4.474
   55   1HZ   LYS  10          HZ1       LYS  10   7.834 -10.498  -2.686
   56   2HZ   LYS  10          HZ2       LYS  10   9.445  -9.987  -2.587
   57   3HZ   LYS  10          HZ3       LYS  10   8.888 -10.773  -3.976
   58    H    GLY  11           HN       GLY  11   3.984  -5.436   0.446
   59   1HA   GLY  11          HA2       GLY  11   5.444  -3.759   2.232
   60   2HA   GLY  11          HA1       GLY  11   4.418  -2.821   1.202
   61    H    ILE  12           HN       ILE  12   3.249  -2.063   2.897
   62    HA   ILE  12           HA       ILE  12   1.635  -4.015   4.401
   63    HB   ILE  12           HB       ILE  12   2.774  -1.350   5.257
   64   1HG1  ILE  12          HG12      ILE  12   4.478  -3.091   5.151
   65   2HG1  ILE  12          HG11      ILE  12   4.138  -2.674   6.826
   66   1HG2  ILE  12          HG21      ILE  12   1.076  -3.301   6.774
   67   2HG2  ILE  12          HG22      ILE  12   0.655  -1.648   6.344
   68   3HG2  ILE  12          HG23      ILE  12   1.931  -1.957   7.513
   69   1HD1  ILE  12          HD11      ILE  12   3.203  -5.121   5.339
   70   2HD1  ILE  12          HD12      ILE  12   2.695  -4.695   6.973
   71   3HD1  ILE  12          HD13      ILE  12   4.386  -5.039   6.638
   72    H    TYR  13           HN       TYR  13  -0.560  -3.653   4.610
   73    HA   TYR  13           HA       TYR  13  -1.566  -1.280   3.181
   74   1HB   TYR  13          HB2       TYR  13  -3.495  -2.399   2.594
   75   2HB   TYR  13          HB1       TYR  13  -2.255  -3.615   2.402
   76    HD1  TYR  13           HD1      TYR  13  -5.259  -2.649   4.195
   77    HD2  TYR  13           HD2      TYR  13  -2.086  -5.492   4.042
   78    HE1  TYR  13           HE1      TYR  13  -6.540  -4.172   5.619
   79    HE2  TYR  13           HE2      TYR  13  -3.388  -7.019   5.459
   80    HH   TYR  13           HH       TYR  13  -5.427  -6.563   7.294
   81    H    TRP  14           HN       TRP  14  -2.925   0.110   4.108
   82    HA   TRP  14           HA       TRP  14  -3.113  -0.004   7.037
   83   1HB   TRP  14          HB2       TRP  14  -3.281   2.280   5.054
   84   2HB   TRP  14          HB1       TRP  14  -3.547   2.465   6.785
   85    HD1  TRP  14           HD1      TRP  14  -0.680   0.925   4.607
   86    HE1  TRP  14           HE1      TRP  14   1.564   1.696   5.613
   87    HE3  TRP  14           HE3      TRP  14  -2.443   3.736   8.493
   88    HZ2  TRP  14           HZ2      TRP  14   2.458   3.294   7.756
   89    HZ3  TRP  14           HZ3      TRP  14  -0.833   4.862   9.969
   90    HH2  TRP  14           HH2      TRP  14   1.570   4.644   9.605
   91    H    PHE  15           HN       PHE  15  -5.042   0.130   8.083
   92    HA   PHE  15           HA       PHE  15  -7.292  -0.841   6.618
   93   1HB   PHE  15          HB2       PHE  15  -6.933  -0.108   9.525
   94   2HB   PHE  15          HB1       PHE  15  -8.421  -0.794   8.883
   95    HD1  PHE  15           HD1      PHE  15  -4.926  -1.463   9.745
   96    HD2  PHE  15           HD2      PHE  15  -8.529  -3.099   8.158
   97    HE1  PHE  15           HE1      PHE  15  -4.029  -3.729  10.042
   98    HE2  PHE  15           HE2      PHE  15  -7.631  -5.364   8.456
   99    HZ   PHE  15           HZ       PHE  15  -5.381  -5.684   9.399
  100    H    TYR  16           HN       TYR  16  -8.583   0.385   5.492
  101    HA   TYR  16           HA       TYR  16  -9.692   2.144   4.645
  102   1HB   TYR  16          HB2       TYR  16 -11.560   2.876   6.016
  103   2HB   TYR  16          HB1       TYR  16 -11.312   1.144   6.135
  104    HD1  TYR  16           HD1      TYR  16 -10.723   0.113   8.239
  105    HD2  TYR  16           HD2      TYR  16 -11.070   4.344   7.933
  106    HE1  TYR  16           HE1      TYR  16 -10.735   0.290  10.689
  107    HE2  TYR  16           HE2      TYR  16 -11.067   4.532  10.371
  108    HH   TYR  16           HH       TYR  16 -10.008   2.641  12.369
  109    H    ARG  17           HN       ARG  17  -7.043   2.964   5.732
  110    HA   ARG  17           HA       ARG  17  -7.648   5.683   6.598
  111   1HB   ARG  17          HB2       ARG  17  -5.148   4.053   6.714
  112   2HB   ARG  17          HB1       ARG  17  -5.151   5.793   6.949
  113   1HG   ARG  17          HG2       ARG  17  -6.884   5.387   8.777
  114   2HG   ARG  17          HG1       ARG  17  -6.464   3.686   8.627
  115   1HD   ARG  17          HD2       ARG  17  -5.228   4.728  10.420
  116   2HD   ARG  17          HD1       ARG  17  -4.165   4.167   9.159
  117    HE   ARG  17           HE       ARG  17  -3.970   6.457   8.378
  118   1HH1  ARG  17          HH11      ARG  17  -5.014   5.959  11.693
  119   2HH1  ARG  17          HH12      ARG  17  -4.674   7.578  12.151
  120   1HH2  ARG  17          HH21      ARG  17  -3.556   8.607   9.001
  121   2HH2  ARG  17          HH22      ARG  17  -3.845   9.086  10.639
  122    HA   PRO  18           HA       PRO  18  -6.481   6.903   2.406
  123   1HB   PRO  18          HB2       PRO  18  -7.692   9.457   2.902
  124   2HB   PRO  18          HB1       PRO  18  -8.332   8.107   1.974
  125   1HG   PRO  18          HG2       PRO  18  -9.356   9.056   4.373
  126   2HG   PRO  18          HG1       PRO  18  -9.713   7.482   3.645
  127   1HD   PRO  18          HD2       PRO  18  -7.819   8.174   5.845
  128   2HD   PRO  18          HD1       PRO  18  -8.845   6.748   5.615
  129    H    SER  19           HN       SER  19  -4.735   7.049   4.789
  130    HA   SER  19           HA       SER  19  -3.213   9.427   4.049
  131   1HB   SER  19          HB2       SER  19  -2.622   9.583   6.556
  132   2HB   SER  19          HB1       SER  19  -4.201  10.168   6.041
  133    HG   SER  19           HG       SER  19  -3.718   7.583   7.099
  134    H    CYS  20           HN       CYS  20  -1.697   8.316   2.938
  135    HA   CYS  20           HA       CYS  20  -0.263   6.152   4.332
  136   1HB   CYS  20          HB2       CYS  20  -1.211   5.616   2.127
  137   2HB   CYS  20          HB1       CYS  20  -0.224   6.874   1.404
  138    HA   PRO  21           HA       PRO  21   2.659   9.546   4.792
  139   1HB   PRO  21          HB2       PRO  21   4.067   8.504   6.839
  140   2HB   PRO  21          HB1       PRO  21   2.437   9.148   7.041
  141   1HG   PRO  21          HG2       PRO  21   3.325   6.308   6.826
  142   2HG   PRO  21          HG1       PRO  21   2.092   7.024   7.878
  143   1HD   PRO  21          HD2       PRO  21   1.573   5.686   5.510
  144   2HD   PRO  21          HD1       PRO  21   0.475   6.845   6.285
  145    H    THR  22           HN       THR  22   4.705   9.940   4.129
  146    HA   THR  22           HA       THR  22   6.087   7.886   2.618
  147    HB   THR  22           HB       THR  22   5.947  10.160   1.703
  148    HG1  THR  22           HG1      THR  22   8.019  10.248   1.028
  149   1HG2  THR  22          HG21      THR  22   7.461  11.908   2.837
  150   2HG2  THR  22          HG22      THR  22   7.240  10.960   4.298
  151   3HG2  THR  22          HG23      THR  22   5.846  11.639   3.469
  152    H    ASP  23           HN       ASP  23   6.024   6.911   5.032
  153    HA   ASP  23           HA       ASP  23   8.440   7.668   6.513
  154   1HB   ASP  23          HB2       ASP  23   6.478   7.630   7.862
  155   2HB   ASP  23          HB1       ASP  23   5.983   6.066   7.222
  156    H    ARG  24           HN       ARG  24   6.803   4.842   5.126
  157    HA   ARG  24           HA       ARG  24   9.096   3.153   5.784
  158   1HB   ARG  24          HB2       ARG  24   6.359   2.606   4.716
  159   2HB   ARG  24          HB1       ARG  24   7.543   1.344   4.872
  160   1HG   ARG  24          HG2       ARG  24   6.686   3.049   7.202
  161   2HG   ARG  24          HG1       ARG  24   5.829   1.587   6.734
  162   1HD   ARG  24          HD2       ARG  24   8.744   1.759   7.481
  163   2HD   ARG  24          HD1       ARG  24   7.446   1.126   8.496
  164    HE   ARG  24           HE       ARG  24   7.341  -0.331   6.145
  165   1HH1  ARG  24          HH11      ARG  24   9.652   0.189   8.743
  166   2HH1  ARG  24          HH12      ARG  24  10.425  -1.335   8.510
  167   1HH2  ARG  24          HH21      ARG  24   8.402  -2.321   5.836
  168   2HH2  ARG  24          HH22      ARG  24   9.721  -2.771   6.853
  169    H    GLY  25           HN       GLY  25   9.307   5.203   3.608
  170   1HA   GLY  25          HA2       GLY  25  10.177   5.370   1.522
  171   2HA   GLY  25          HA1       GLY  25  10.854   3.781   1.834
  172    H    TYR  26           HN       TYR  26   7.398   4.251   1.816
  173    HA   TYR  26           HA       TYR  26   6.747   2.269   0.033
  174   1HB   TYR  26          HB2       TYR  26   5.284   4.855   0.577
  175   2HB   TYR  26          HB1       TYR  26   4.586   3.475  -0.262
  176    HD1  TYR  26           HD1      TYR  26   4.361   5.061   2.684
  177    HD2  TYR  26           HD2      TYR  26   5.228   1.186   1.233
  178    HE1  TYR  26           HE1      TYR  26   3.593   4.107   4.815
  179    HE2  TYR  26           HE2      TYR  26   4.471   0.196   3.355
  180    HH   TYR  26           HH       TYR  26   4.146   0.868   5.712
  181    H    THR  27           HN       THR  27   6.889   2.033  -2.129
  182    HA   THR  27           HA       THR  27   7.621   4.426  -3.699
  183    HB   THR  27           HB       THR  27   9.312   2.581  -3.626
  184    HG1  THR  27           HG1      THR  27   9.435   3.859  -5.414
  185   1HG2  THR  27          HG21      THR  27   7.670   0.700  -3.571
  186   2HG2  THR  27          HG22      THR  27   8.931   0.521  -4.767
  187   3HG2  THR  27          HG23      THR  27   7.318   1.015  -5.261
  188    H    GLY  28           HN       GLY  28   5.207   2.007  -3.265
  189   1HA   GLY  28          HA2       GLY  28   3.725   3.142  -5.542
  190   2HA   GLY  28          HA1       GLY  28   3.904   1.399  -5.389
  191    H    SER  29           HN       SER  29   1.424   2.484  -5.476
  192    HA   SER  29           HA       SER  29   0.444   1.823  -2.801
  193   1HB   SER  29          HB2       SER  29   0.582   4.324  -2.978
  194   2HB   SER  29          HB1       SER  29  -0.569   4.250  -4.311
  195    HG   SER  29           HG       SER  29  -0.960   3.615  -1.586
  196    H    CYS  30           HN       CYS  30  -1.375   0.632  -2.831
  197    HA   CYS  30           HA       CYS  30  -2.854   0.296  -5.364
  198   1HB   CYS  30          HB2       CYS  30  -1.881  -1.966  -3.606
  199   2HB   CYS  30          HB1       CYS  30  -2.808  -2.118  -5.083
  200    H    ARG  31           HN       ARG  31  -4.822  -1.250  -4.812
  201    HA   ARG  31           HA       ARG  31  -6.061  -0.177  -2.355
  202   1HB   ARG  31          HB2       ARG  31  -7.366   0.366  -4.277
  203   2HB   ARG  31          HB1       ARG  31  -7.254  -1.274  -4.897
  204   1HG   ARG  31          HG2       ARG  31  -9.441  -0.910  -4.002
  205   2HG   ARG  31          HG1       ARG  31  -8.609  -2.070  -2.981
  206   1HD   ARG  31          HD2       ARG  31  -8.002  -0.053  -1.515
  207   2HD   ARG  31          HD1       ARG  31  -9.187   0.821  -2.452
  208    HE   ARG  31           HE       ARG  31  -9.732  -1.561  -0.778
  209   1HH1  ARG  31          HH11      ARG  31 -10.809   1.474  -2.209
  210   2HH1  ARG  31          HH12      ARG  31 -12.346   1.405  -1.447
  211   1HH2  ARG  31          HH21      ARG  31 -11.787  -1.613   0.213
  212   2HH2  ARG  31          HH22      ARG  31 -12.913  -0.330  -0.078
  213    H    TYR  32           HN       TYR  32  -6.623  -1.527  -0.734
  214    HA   TYR  32           HA       TYR  32  -6.411  -4.437  -1.235
  215   1HB   TYR  32          HB2       TYR  32  -4.668  -3.199   0.312
  216   2HB   TYR  32          HB1       TYR  32  -5.961  -3.238   1.490
  217    HD1  TYR  32           HD1      TYR  32  -6.790  -5.435   2.335
  218    HD2  TYR  32           HD2      TYR  32  -3.495  -5.185  -0.301
  219    HE1  TYR  32           HE1      TYR  32  -6.137  -7.718   2.949
  220    HE2  TYR  32           HE2      TYR  32  -2.801  -7.460   0.306
  221    HH   TYR  32           HH       TYR  32  -4.427  -9.632   1.388
  222    H    PHE  33           HN       PHE  33  -7.865  -5.725  -0.026
  223    HA   PHE  33           HA       PHE  33 -10.475  -5.084  -0.247
  224   1HB   PHE  33          HB2       PHE  33  -9.461  -6.848   1.980
  225   2HB   PHE  33          HB1       PHE  33 -11.019  -6.942   1.178
  226    HD1  PHE  33           HD1      PHE  33  -7.719  -8.181   1.272
  227    HD2  PHE  33           HD2      PHE  33 -10.957  -7.422  -1.381
  228    HE1  PHE  33           HE1      PHE  33  -6.756  -9.764  -0.338
  229    HE2  PHE  33           HE2      PHE  33 -10.006  -9.014  -2.994
  230    HZ   PHE  33           HZ       PHE  33  -7.904 -10.186  -2.475
  231    H    LEU  34           HN       LEU  34  -8.558  -4.582   2.714
  232    HA   LEU  34           HA       LEU  34 -10.887  -3.434   4.034
  233   1HB   LEU  34          HB2       LEU  34  -8.145  -4.055   5.057
  234   2HB   LEU  34          HB1       LEU  34  -9.417  -3.400   6.042
  235    HG   LEU  34           HG       LEU  34  -9.445  -5.657   6.571
  236   1HD1  LEU  34          HD11      LEU  34 -11.524  -6.495   5.797
  237   2HD1  LEU  34          HD12      LEU  34 -11.463  -5.513   4.336
  238   3HD1  LEU  34          HD13      LEU  34 -11.672  -4.744   5.912
  239   1HD2  LEU  34          HD21      LEU  34  -7.911  -6.347   4.719
  240   2HD2  LEU  34          HD22      LEU  34  -9.315  -6.422   3.674
  241   3HD2  LEU  34          HD23      LEU  34  -9.213  -7.481   5.060
  242    H    GLY  35           HN       GLY  35  -8.307  -2.183   2.210
  243   1HA   GLY  35          HA2       GLY  35  -9.121   0.425   2.473
  244   2HA   GLY  35          HA1       GLY  35  -7.937   0.200   3.743
  245    H    THR  36           HN       THR  36  -6.210   1.273   3.113
  246    HA   THR  36           HA       THR  36  -5.525   1.373   0.284
  247    HB   THR  36           HB       THR  36  -4.202   2.845   2.597
  248    HG1  THR  36           HG1      THR  36  -6.430   3.650   0.980
  249   1HG2  THR  36          HG21      THR  36  -4.326   3.366  -0.379
  250   2HG2  THR  36          HG22      THR  36  -2.903   2.897   0.554
  251   3HG2  THR  36          HG23      THR  36  -3.650   4.469   0.818
  252    H    CYS  37           HN       CYS  37  -3.701   0.512  -0.610
  253    HA   CYS  37           HA       CYS  37  -1.946  -1.038   1.185
  254   1HB   CYS  37          HB2       CYS  37  -2.966  -2.461  -0.414
  255   2HB   CYS  37          HB1       CYS  37  -2.584  -1.382  -1.718
  256    H    CYS  38           HN       CYS  38   0.095  -0.407   1.424
  257    HA   CYS  38           HA       CYS  38   1.224   1.472  -0.563
  258   1HB   CYS  38          HB2       CYS  38   1.613   1.515   2.439
  259   2HB   CYS  38          HB1       CYS  38   2.407   2.553   1.268
  260    H    THR  39           HN       THR  39   2.872   0.545  -1.590
  261    HA   THR  39           HA       THR  39   4.316  -1.592  -0.194
  262    HB   THR  39           HB       THR  39   4.663  -2.454  -2.627
  263    HG1  THR  39           HG1      THR  39   2.242  -0.972  -3.000
  264   1HG2  THR  39          HG21      THR  39   3.159  -4.008  -2.114
  265   2HG2  THR  39          HG22      THR  39   1.865  -2.847  -1.973
  266   3HG2  THR  39          HG23      THR  39   2.919  -3.133  -0.605
  267    HA   PRO  40           HA       PRO  40   8.093   0.303  -1.671
  268   1HB   PRO  40          HB2       PRO  40   9.548  -0.095   0.561
  269   2HB   PRO  40          HB1       PRO  40   8.414   1.208   0.404
  270   1HG   PRO  40          HG2       PRO  40   8.170  -1.175   2.059
  271   2HG   PRO  40          HG1       PRO  40   7.336   0.370   2.181
  272   1HD   PRO  40          HD2       PRO  40   6.448  -2.079   0.939
  273   2HD   PRO  40          HD1       PRO  40   5.509  -0.648   1.292
  274    H    ALA  41           HN       ALA  41   9.519  -1.884   0.525
  275    HA   ALA  41           HA       ALA  41   9.389  -4.158  -1.295
  276   1HB   ALA  41          HB1       ALA  41  11.773  -4.571  -1.079
  277   2HB   ALA  41          HB2       ALA  41  11.962  -3.103  -0.117
  278   3HB   ALA  41          HB3       ALA  41  11.485  -2.992  -1.810
  279    H    ASP  42           HN       ASP  42   8.695  -2.985   1.583
  280    HA   ASP  42           HA       ASP  42   8.699  -5.504   2.956
  281   1HB   ASP  42          HB2       ASP  42  10.523  -3.241   3.755
  282   2HB   ASP  42          HB1       ASP  42   9.853  -4.306   4.985
  Start of MODEL   16
    1   1H    GLY   1           HT1      GLY   1  -0.265 -10.000  10.564
    2   2H    GLY   1           HT2      GLY   1   1.308 -10.430  11.007
    3   3H    GLY   1           HT3      GLY   1   0.683 -10.944   9.523
    4   1HA   GLY   1          HA1       GLY   1   1.256  -8.140  10.308
    5   2HA   GLY   1          HA2       GLY   1   2.232  -9.120   9.220
    6    H    THR   2           HN       THR   2   0.237  -6.638   9.127
    7    HA   THR   2           HA       THR   2  -1.625  -7.489   7.091
    8    HB   THR   2           HB       THR   2  -2.127  -4.973   6.990
    9    HG1  THR   2           HG1      THR   2   0.173  -4.706   8.150
   10   1HG2  THR   2          HG21      THR   2  -3.438  -6.511   8.375
   11   2HG2  THR   2          HG22      THR   2  -3.248  -4.937   9.145
   12   3HG2  THR   2          HG23      THR   2  -2.280  -6.305   9.691
   13    H    ALA   3           HN       ALA   3   0.683  -8.246   6.091
   14    HA   ALA   3           HA       ALA   3   1.850  -6.186   4.439
   15   1HB   ALA   3          HB1       ALA   3   3.291  -7.806   5.549
   16   2HB   ALA   3          HB2       ALA   3   3.447  -7.902   3.796
   17   3HB   ALA   3          HB3       ALA   3   2.507  -9.116   4.668
   18    H    CYS   4           HN       CYS   4   1.764  -6.110   2.234
   19    HA   CYS   4           HA       CYS   4   0.126  -8.100   0.823
   20   1HB   CYS   4          HB2       CYS   4  -1.036  -6.253  -0.393
   21   2HB   CYS   4          HB1       CYS   4  -1.459  -6.372   1.306
   22    H    SER   5           HN       SER   5   0.562  -8.203  -1.429
   23    HA   SER   5           HA       SER   5   3.166  -6.990  -2.144
   24   1HB   SER   5          HB2       SER   5   2.054  -9.660  -3.031
   25   2HB   SER   5          HB1       SER   5   3.644  -8.994  -3.413
   26    HG   SER   5           HG       SER   5   4.264  -9.261  -1.323
   27    H    CYS   6           HN       CYS   6   3.336  -5.948  -4.013
   28    HA   CYS   6           HA       CYS   6   1.149  -6.130  -5.987
   29   1HB   CYS   6          HB2       CYS   6   2.480  -3.607  -4.975
   30   2HB   CYS   6          HB1       CYS   6   1.457  -3.681  -6.406
   31    H    GLY   7           HN       GLY   7   2.592  -7.643  -6.999
   32   1HA   GLY   7          HA2       GLY   7   3.967  -8.130  -8.741
   33   2HA   GLY   7          HA1       GLY   7   4.115  -6.407  -9.047
   34    H    ASN   8           HN       ASN   8   5.980  -5.412  -8.530
   35    HA   ASN   8           HA       ASN   8   8.136  -7.077  -7.424
   36   1HB   ASN   8          HB2       ASN   8   9.651  -5.424  -8.292
   37   2HB   ASN   8          HB1       ASN   8   8.493  -5.832  -9.552
   38   1HD2  ASN   8          HD21      ASN   8  10.155  -3.423  -9.184
   39   2HD2  ASN   8          HD22      ASN   8   9.038  -2.106  -9.169
   40    H    SER   9           HN       SER   9   5.898  -4.780  -6.365
   41    HA   SER   9           HA       SER   9   7.712  -3.721  -4.313
   42   1HB   SER   9          HB2       SER   9   4.939  -2.768  -5.064
   43   2HB   SER   9          HB1       SER   9   6.138  -1.937  -4.068
   44    HG   SER   9           HG       SER   9   6.000  -1.230  -6.304
   45    H    LYS  10           HN       LYS  10   7.562  -4.464  -2.281
   46    HA   LYS  10           HA       LYS  10   5.053  -5.794  -1.447
   47   1HB   LYS  10          HB2       LYS  10   6.639  -7.485  -1.350
   48   2HB   LYS  10          HB1       LYS  10   7.937  -6.394  -0.869
   49   1HG   LYS  10          HG2       LYS  10   6.935  -6.150   1.324
   50   2HG   LYS  10          HG1       LYS  10   5.603  -7.201   0.850
   51   1HD   LYS  10          HD2       LYS  10   7.247  -9.022   0.514
   52   2HD   LYS  10          HD1       LYS  10   8.521  -7.937   1.082
   53   1HE   LYS  10          HE2       LYS  10   6.076  -8.663   2.697
   54   2HE   LYS  10          HE1       LYS  10   7.622  -9.500   2.809
   55   1HZ   LYS  10          HZ1       LYS  10   8.649  -7.366   3.426
   56   2HZ   LYS  10          HZ2       LYS  10   7.480  -7.879   4.531
   57   3HZ   LYS  10          HZ3       LYS  10   7.111  -6.652   3.436
   58    H    GLY  11           HN       GLY  11   4.106  -5.076   0.413
   59   1HA   GLY  11          HA2       GLY  11   5.521  -3.417   2.292
   60   2HA   GLY  11          HA1       GLY  11   4.437  -2.504   1.267
   61    H    ILE  12           HN       ILE  12   3.087  -1.902   2.906
   62    HA   ILE  12           HA       ILE  12   1.584  -4.055   4.279
   63    HB   ILE  12           HB       ILE  12   2.451  -1.375   5.403
   64   1HG1  ILE  12          HG12      ILE  12   4.377  -2.859   5.146
   65   2HG1  ILE  12          HG11      ILE  12   3.974  -2.662   6.844
   66   1HG2  ILE  12          HG21      ILE  12   1.669  -2.318   7.558
   67   2HG2  ILE  12          HG22      ILE  12   1.024  -3.689   6.676
   68   3HG2  ILE  12          HG23      ILE  12   0.375  -2.085   6.390
   69   1HD1  ILE  12          HD11      ILE  12   2.801  -4.862   6.750
   70   2HD1  ILE  12          HD12      ILE  12   4.531  -4.937   6.449
   71   3HD1  ILE  12          HD13      ILE  12   3.407  -5.041   5.112
   72    H    TYR  13           HN       TYR  13  -0.633  -3.817   4.357
   73    HA   TYR  13           HA       TYR  13  -1.703  -1.470   2.991
   74   1HB   TYR  13          HB2       TYR  13  -3.686  -2.588   2.603
   75   2HB   TYR  13          HB1       TYR  13  -2.495  -3.849   2.430
   76    HD1  TYR  13           HD1      TYR  13  -5.252  -2.584   4.484
   77    HD2  TYR  13           HD2      TYR  13  -2.343  -5.675   4.047
   78    HE1  TYR  13           HE1      TYR  13  -6.469  -3.965   6.111
   79    HE2  TYR  13           HE2      TYR  13  -3.569  -7.058   5.665
   80    HH   TYR  13           HH       TYR  13  -5.540  -6.117   7.785
   81    H    TRP  14           HN       TRP  14  -2.825   0.070   3.964
   82    HA   TRP  14           HA       TRP  14  -2.972  -0.049   6.906
   83   1HB   TRP  14          HB2       TRP  14  -2.709   2.298   5.003
   84   2HB   TRP  14          HB1       TRP  14  -2.935   2.397   6.744
   85    HD1  TRP  14           HD1      TRP  14  -0.366   0.679   4.411
   86    HE1  TRP  14           HE1      TRP  14   1.956   0.939   5.488
   87    HE3  TRP  14           HE3      TRP  14  -1.731   3.200   8.636
   88    HZ2  TRP  14           HZ2      TRP  14   3.063   2.091   7.821
   89    HZ3  TRP  14           HZ3      TRP  14   0.019   3.854  10.238
   90    HH2  TRP  14           HH2      TRP  14   2.365   3.309   9.837
   91    H    PHE  15           HN       PHE  15  -4.847   0.523   7.935
   92    HA   PHE  15           HA       PHE  15  -7.245   0.242   6.355
   93   1HB   PHE  15          HB2       PHE  15  -6.750   0.647   9.303
   94   2HB   PHE  15          HB1       PHE  15  -8.367   0.587   8.626
   95    HD1  PHE  15           HD1      PHE  15  -5.273  -1.363   9.141
   96    HD2  PHE  15           HD2      PHE  15  -9.389  -1.459   8.043
   97    HE1  PHE  15           HE1      PHE  15  -5.259  -3.816   9.301
   98    HE2  PHE  15           HE2      PHE  15  -9.375  -3.909   8.202
   99    HZ   PHE  15           HZ       PHE  15  -7.312  -5.093   8.831
  100    H    TYR  16           HN       TYR  16  -8.061   1.887   5.264
  101    HA   TYR  16           HA       TYR  16  -8.867   3.920   4.695
  102   1HB   TYR  16          HB2       TYR  16  -9.073   4.512   7.655
  103   2HB   TYR  16          HB1       TYR  16 -10.109   5.076   6.350
  104    HD1  TYR  16           HD1      TYR  16  -9.540   2.517   8.809
  105    HD2  TYR  16           HD2      TYR  16 -11.660   3.395   5.218
  106    HE1  TYR  16           HE1      TYR  16 -11.084   0.673   9.275
  107    HE2  TYR  16           HE2      TYR  16 -13.210   1.545   5.684
  108    HH   TYR  16           HH       TYR  16 -13.877   0.300   8.241
  109    H    ARG  17           HN       ARG  17  -6.346   4.204   4.182
  110    HA   ARG  17           HA       ARG  17  -5.478   6.661   5.572
  111   1HB   ARG  17          HB2       ARG  17  -3.759   4.490   4.410
  112   2HB   ARG  17          HB1       ARG  17  -3.150   6.019   5.031
  113   1HG   ARG  17          HG2       ARG  17  -4.715   4.030   6.686
  114   2HG   ARG  17          HG1       ARG  17  -2.963   4.124   6.581
  115   1HD   ARG  17          HD2       ARG  17  -2.861   6.226   7.532
  116   2HD   ARG  17          HD1       ARG  17  -4.598   6.469   7.431
  117    HE   ARG  17           HE       ARG  17  -4.654   4.422   9.011
  118   1HH1  ARG  17          HH11      ARG  17  -2.185   6.932   9.108
  119   2HH1  ARG  17          HH12      ARG  17  -2.037   6.859  10.818
  120   1HH2  ARG  17          HH21      ARG  17  -4.430   4.354  11.267
  121   2HH2  ARG  17          HH22      ARG  17  -3.299   5.405  12.053
  122    HA   PRO  18           HA       PRO  18  -6.260   8.154   1.388
  123   1HB   PRO  18          HB2       PRO  18  -5.729  10.810   2.532
  124   2HB   PRO  18          HB1       PRO  18  -7.210  10.153   1.835
  125   1HG   PRO  18          HG2       PRO  18  -6.936  10.643   4.474
  126   2HG   PRO  18          HG1       PRO  18  -7.954   9.335   3.844
  127   1HD   PRO  18          HD2       PRO  18  -5.196   9.202   5.010
  128   2HD   PRO  18          HD1       PRO  18  -6.601   8.140   5.257
  129    H    SER  19           HN       SER  19  -3.383   8.129   3.139
  130    HA   SER  19           HA       SER  19  -1.840   8.761   0.784
  131   1HB   SER  19          HB2       SER  19  -1.447  10.313   3.364
  132   2HB   SER  19          HB1       SER  19  -0.413  10.405   1.935
  133    HG   SER  19           HG       SER  19  -2.029  11.395   0.825
  134    H    CYS  20           HN       CYS  20   0.097   7.702   0.759
  135    HA   CYS  20           HA       CYS  20   0.515   5.741   2.870
  136   1HB   CYS  20          HB2       CYS  20   1.817   6.103   0.176
  137   2HB   CYS  20          HB1       CYS  20   2.237   4.834   1.319
  138    HA   PRO  21           HA       PRO  21   3.502   8.260   5.073
  139   1HB   PRO  21          HB2       PRO  21   4.592   5.514   5.601
  140   2HB   PRO  21          HB1       PRO  21   4.310   6.852   6.711
  141   1HG   PRO  21          HG2       PRO  21   2.616   4.820   6.609
  142   2HG   PRO  21          HG1       PRO  21   2.033   6.483   6.809
  143   1HD   PRO  21          HD2       PRO  21   1.946   4.720   4.410
  144   2HD   PRO  21          HD1       PRO  21   0.810   5.978   4.939
  145    H    THR  22           HN       THR  22   4.836   9.309   3.736
  146    HA   THR  22           HA       THR  22   6.375   7.969   1.723
  147    HB   THR  22           HB       THR  22   5.351  10.237   1.415
  148    HG1  THR  22           HG1      THR  22   6.979  10.882   0.112
  149   1HG2  THR  22          HG21      THR  22   7.628  11.285   3.076
  150   2HG2  THR  22          HG22      THR  22   6.004  11.057   3.726
  151   3HG2  THR  22          HG23      THR  22   6.271  12.172   2.391
  152    H    ASP  23           HN       ASP  23   6.899   8.528   4.981
  153    HA   ASP  23           HA       ASP  23   9.735   8.967   4.896
  154   1HB   ASP  23          HB2       ASP  23   9.601   8.702   7.348
  155   2HB   ASP  23          HB1       ASP  23   8.432   9.868   6.738
  156    H    ARG  24           HN       ARG  24   7.595   6.213   4.933
  157    HA   ARG  24           HA       ARG  24   9.854   4.387   5.418
  158   1HB   ARG  24          HB2       ARG  24   6.896   3.883   5.096
  159   2HB   ARG  24          HB1       ARG  24   8.097   2.599   5.190
  160   1HG   ARG  24          HG2       ARG  24   8.770   3.468   7.417
  161   2HG   ARG  24          HG1       ARG  24   7.449   4.634   7.315
  162   1HD   ARG  24          HD2       ARG  24   6.706   2.787   8.612
  163   2HD   ARG  24          HD1       ARG  24   5.865   2.751   7.084
  164    HE   ARG  24           HE       ARG  24   7.280   0.934   6.364
  165   1HH1  ARG  24          HH11      ARG  24   7.388   1.675   9.801
  166   2HH1  ARG  24          HH12      ARG  24   7.917   0.101  10.234
  167   1HH2  ARG  24          HH21      ARG  24   7.945  -1.166   7.009
  168   2HH2  ARG  24          HH22      ARG  24   8.250  -1.517   8.663
  169    H    GLY  25           HN       GLY  25   8.609   6.152   2.954
  170   1HA   GLY  25          HA2       GLY  25   9.154   6.205   0.777
  171   2HA   GLY  25          HA1       GLY  25  10.181   4.811   1.054
  172    H    TYR  26           HN       TYR  26   6.711   4.711   1.754
  173    HA   TYR  26           HA       TYR  26   6.252   2.446   0.170
  174   1HB   TYR  26          HB2       TYR  26   4.315   4.555   1.091
  175   2HB   TYR  26          HB1       TYR  26   3.843   3.041   0.334
  176    HD1  TYR  26           HD1      TYR  26   4.227   4.612   3.413
  177    HD2  TYR  26           HD2      TYR  26   4.891   0.899   1.524
  178    HE1  TYR  26           HE1      TYR  26   4.202   3.502   5.601
  179    HE2  TYR  26           HE2      TYR  26   4.881  -0.242   3.697
  180    HH   TYR  26           HH       TYR  26   5.228   0.292   6.071
  181    H    THR  27           HN       THR  27   6.248   2.247  -1.993
  182    HA   THR  27           HA       THR  27   6.307   4.704  -3.554
  183    HB   THR  27           HB       THR  27   6.868   1.862  -4.469
  184    HG1  THR  27           HG1      THR  27   8.674   3.830  -3.416
  185   1HG2  THR  27          HG21      THR  27   8.241   3.028  -6.166
  186   2HG2  THR  27          HG22      THR  27   7.620   4.571  -5.583
  187   3HG2  THR  27          HG23      THR  27   6.524   3.395  -6.310
  188    H    GLY  28           HN       GLY  28   4.448   1.686  -3.423
  189   1HA   GLY  28          HA2       GLY  28   2.652   2.741  -5.515
  190   2HA   GLY  28          HA1       GLY  28   2.885   1.054  -5.093
  191    H    SER  29           HN       SER  29   0.398   2.343  -5.302
  192    HA   SER  29           HA       SER  29  -0.575   1.916  -2.551
  193   1HB   SER  29          HB2       SER  29  -1.509   4.158  -4.369
  194   2HB   SER  29          HB1       SER  29  -2.098   3.798  -2.744
  195    HG   SER  29           HG       SER  29   0.490   4.068  -2.469
  196    H    CYS  30           HN       CYS  30  -1.300  -0.109  -3.104
  197    HA   CYS  30           HA       CYS  30  -3.186  -0.391  -5.338
  198   1HB   CYS  30          HB2       CYS  30  -2.203  -2.497  -3.398
  199   2HB   CYS  30          HB1       CYS  30  -3.036  -2.755  -4.919
  200    H    ARG  31           HN       ARG  31  -5.382  -0.679  -5.024
  201    HA   ARG  31           HA       ARG  31  -6.381   0.086  -2.424
  202   1HB   ARG  31          HB2       ARG  31  -7.326   0.802  -4.669
  203   2HB   ARG  31          HB1       ARG  31  -8.039  -0.799  -4.796
  204   1HG   ARG  31          HG2       ARG  31  -8.527   0.883  -2.352
  205   2HG   ARG  31          HG1       ARG  31  -9.393   1.218  -3.847
  206   1HD   ARG  31          HD2       ARG  31 -10.814  -0.429  -3.456
  207   2HD   ARG  31          HD1       ARG  31  -9.518  -1.598  -3.366
  208    HE   ARG  31           HE       ARG  31  -9.626  -1.543  -1.088
  209   1HH1  ARG  31          HH11      ARG  31 -11.430   1.198  -2.328
  210   2HH1  ARG  31          HH12      ARG  31 -12.222   1.490  -0.827
  211   1HH2  ARG  31          HH21      ARG  31 -10.673  -1.136   0.889
  212   2HH2  ARG  31          HH22      ARG  31 -11.795   0.179   1.004
  213    H    TYR  32           HN       TYR  32  -6.010  -1.483  -0.981
  214    HA   TYR  32           HA       TYR  32  -6.603  -4.267  -1.536
  215   1HB   TYR  32          HB2       TYR  32  -4.682  -3.391  -0.125
  216   2HB   TYR  32          HB1       TYR  32  -5.844  -2.998   1.117
  217    HD1  TYR  32           HD1      TYR  32  -4.008  -5.658  -0.568
  218    HD2  TYR  32           HD2      TYR  32  -6.984  -4.826   2.346
  219    HE1  TYR  32           HE1      TYR  32  -3.796  -7.942   0.297
  220    HE2  TYR  32           HE2      TYR  32  -6.785  -7.119   3.202
  221    HH   TYR  32           HH       TYR  32  -4.512  -8.960   3.000
  222    H    PHE  33           HN       PHE  33  -8.204  -5.474  -0.408
  223    HA   PHE  33           HA       PHE  33 -10.703  -4.427  -0.415
  224   1HB   PHE  33          HB2       PHE  33  -9.990  -6.855  -0.206
  225   2HB   PHE  33          HB1       PHE  33  -9.891  -6.606   1.520
  226    HD1  PHE  33           HD1      PHE  33 -11.858  -6.663   2.860
  227    HD2  PHE  33           HD2      PHE  33 -12.177  -6.564  -1.381
  228    HE1  PHE  33           HE1      PHE  33 -14.256  -7.148   3.036
  229    HE2  PHE  33           HE2      PHE  33 -14.577  -7.061  -1.210
  230    HZ   PHE  33           HZ       PHE  33 -15.618  -7.353   1.000
  231    H    LEU  34           HN       LEU  34  -8.584  -4.567   2.428
  232    HA   LEU  34           HA       LEU  34 -10.599  -3.248   4.043
  233   1HB   LEU  34          HB2       LEU  34  -7.948  -4.440   4.770
  234   2HB   LEU  34          HB1       LEU  34  -9.015  -3.678   5.915
  235    HG   LEU  34           HG       LEU  34  -9.459  -5.917   6.247
  236   1HD1  LEU  34          HD11      LEU  34 -11.670  -6.331   5.433
  237   2HD1  LEU  34          HD12      LEU  34 -11.471  -5.164   4.133
  238   3HD1  LEU  34          HD13      LEU  34 -11.510  -4.619   5.808
  239   1HD2  LEU  34          HD21      LEU  34  -9.361  -6.342   3.272
  240   2HD2  LEU  34          HD22      LEU  34  -9.714  -7.574   4.461
  241   3HD2  LEU  34          HD23      LEU  34  -8.140  -6.800   4.436
  242    H    GLY  35           HN       GLY  35  -8.047  -2.169   2.120
  243   1HA   GLY  35          HA2       GLY  35  -8.404   0.462   2.763
  244   2HA   GLY  35          HA1       GLY  35  -7.170  -0.084   3.879
  245    H    THR  36           HN       THR  36  -5.606   1.221   3.067
  246    HA   THR  36           HA       THR  36  -5.011   1.171   0.217
  247    HB   THR  36           HB       THR  36  -3.554   2.798   2.323
  248    HG1  THR  36           HG1      THR  36  -6.061   3.436   1.076
  249   1HG2  THR  36          HG21      THR  36  -2.650   2.803   0.040
  250   2HG2  THR  36          HG22      THR  36  -3.314   4.377   0.477
  251   3HG2  THR  36          HG23      THR  36  -4.225   3.301  -0.583
  252    H    CYS  37           HN       CYS  37  -3.756  -0.484  -0.430
  253    HA   CYS  37           HA       CYS  37  -1.716  -1.639   1.250
  254   1HB   CYS  37          HB2       CYS  37  -2.880  -3.149  -0.157
  255   2HB   CYS  37          HB1       CYS  37  -2.542  -2.187  -1.571
  256    H    CYS  38           HN       CYS  38  -0.173  -0.140   1.659
  257    HA   CYS  38           HA       CYS  38   0.997   1.350  -0.548
  258   1HB   CYS  38          HB2       CYS  38   1.599   1.431   2.409
  259   2HB   CYS  38          HB1       CYS  38   2.187   2.539   1.194
  260    H    THR  39           HN       THR  39   2.578   0.426  -1.691
  261    HA   THR  39           HA       THR  39   4.296  -1.550  -0.356
  262    HB   THR  39           HB       THR  39   4.453  -2.458  -2.795
  263    HG1  THR  39           HG1      THR  39   1.880  -1.227  -2.931
  264   1HG2  THR  39          HG21      THR  39   3.507  -4.018  -1.525
  265   2HG2  THR  39          HG22      THR  39   2.021  -3.468  -2.267
  266   3HG2  THR  39          HG23      THR  39   2.463  -2.881  -0.674
  267    HA   PRO  40           HA       PRO  40   7.731   0.578  -2.321
  268   1HB   PRO  40          HB2       PRO  40   9.365   0.664  -0.169
  269   2HB   PRO  40          HB1       PRO  40   8.043   1.762  -0.396
  270   1HG   PRO  40          HG2       PRO  40   8.254  -0.383   1.551
  271   2HG   PRO  40          HG1       PRO  40   7.194   1.019   1.544
  272   1HD   PRO  40          HD2       PRO  40   6.678  -1.693   0.629
  273   2HD   PRO  40          HD1       PRO  40   5.524  -0.432   0.938
  274    H    ALA  41           HN       ALA  41   9.530  -1.104   0.027
  275    HA   ALA  41           HA       ALA  41   9.663  -3.637  -1.344
  276   1HB   ALA  41          HB1       ALA  41  12.112  -3.560  -1.522
  277   2HB   ALA  41          HB2       ALA  41  12.104  -1.881  -0.975
  278   3HB   ALA  41          HB3       ALA  41  11.363  -2.311  -2.515
  279    H    ASP  42           HN       ASP  42   8.544  -2.795   1.045
  280    HA   ASP  42           HA       ASP  42  10.471  -3.274   3.173
  281   1HB   ASP  42          HB2       ASP  42   8.952  -1.324   3.246
  282   2HB   ASP  42          HB1       ASP  42   7.565  -2.406   3.289
  Start of MODEL   17
    1   1H    GLY   1           HT1      GLY   1   0.623  -9.602  10.538
    2   2H    GLY   1           HT2      GLY   1   2.153  -9.211  11.141
    3   3H    GLY   1           HT3      GLY   1   2.002  -9.849   9.583
    4   1HA   GLY   1          HA1       GLY   1   0.986  -7.214  10.500
    5   2HA   GLY   1          HA2       GLY   1   2.416  -7.470   9.508
    6    H    THR   2           HN       THR   2   0.241  -5.854   8.745
    7    HA   THR   2           HA       THR   2  -1.389  -7.372   6.886
    8    HB   THR   2           HB       THR   2  -2.218  -5.043   6.258
    9    HG1  THR   2           HG1      THR   2  -1.496  -3.312   7.340
   10   1HG2  THR   2          HG21      THR   2  -3.419  -6.409   7.864
   11   2HG2  THR   2          HG22      THR   2  -3.447  -4.711   8.327
   12   3HG2  THR   2          HG23      THR   2  -2.362  -5.824   9.151
   13    H    ALA   3           HN       ALA   3   0.862  -8.119   6.060
   14    HA   ALA   3           HA       ALA   3   2.226  -6.345   4.296
   15   1HB   ALA   3          HB1       ALA   3   3.413  -8.077   5.510
   16   2HB   ALA   3          HB2       ALA   3   3.623  -8.263   3.770
   17   3HB   ALA   3          HB3       ALA   3   2.511  -9.320   4.645
   18    H    CYS   4           HN       CYS   4   1.534  -5.846   2.357
   19    HA   CYS   4           HA       CYS   4  -0.049  -7.793   0.785
   20   1HB   CYS   4          HB2       CYS   4  -0.998  -5.731  -0.319
   21   2HB   CYS   4          HB1       CYS   4  -1.464  -5.981   1.356
   22    H    SER   5           HN       SER   5   0.173  -7.384  -1.632
   23    HA   SER   5           HA       SER   5   2.855  -6.406  -2.297
   24   1HB   SER   5          HB2       SER   5   2.914  -8.558  -3.847
   25   2HB   SER   5          HB1       SER   5   3.435  -8.605  -2.165
   26    HG   SER   5           HG       SER   5   1.983 -10.308  -2.705
   27    H    CYS   6           HN       CYS   6   2.910  -5.175  -4.022
   28    HA   CYS   6           HA       CYS   6   0.726  -5.334  -6.011
   29   1HB   CYS   6          HB2       CYS   6   2.614  -3.044  -5.387
   30   2HB   CYS   6          HB1       CYS   6   1.425  -3.059  -6.686
   31    H    GLY   7           HN       GLY   7   1.627  -7.057  -7.165
   32   1HA   GLY   7          HA2       GLY   7   2.894  -7.943  -8.855
   33   2HA   GLY   7          HA1       GLY   7   3.674  -6.379  -9.056
   34    H    ASN   8           HN       ASN   8   5.688  -6.071  -8.210
   35    HA   ASN   8           HA       ASN   8   6.878  -8.357  -6.743
   36   1HB   ASN   8          HB2       ASN   8   8.100  -6.274  -8.553
   37   2HB   ASN   8          HB1       ASN   8   9.069  -7.313  -7.511
   38   1HD2  ASN   8          HD21      ASN   8   9.042  -7.126 -10.415
   39   2HD2  ASN   8          HD22      ASN   8   8.656  -8.714 -10.974
   40    H    SER   9           HN       SER   9   5.559  -5.405  -6.190
   41    HA   SER   9           HA       SER   9   7.551  -4.527  -4.245
   42   1HB   SER   9          HB2       SER   9   4.896  -3.267  -4.980
   43   2HB   SER   9          HB1       SER   9   6.231  -2.532  -4.092
   44    HG   SER   9           HG       SER   9   6.070  -2.027  -6.407
   45    H    LYS  10           HN       LYS  10   7.420  -5.154  -2.172
   46    HA   LYS  10           HA       LYS  10   4.834  -6.192  -1.170
   47   1HB   LYS  10          HB2       LYS  10   7.637  -6.811  -0.221
   48   2HB   LYS  10          HB1       LYS  10   6.176  -7.364   0.544
   49   1HG   LYS  10          HG2       LYS  10   6.828  -9.193  -0.694
   50   2HG   LYS  10          HG1       LYS  10   5.558  -8.457  -1.666
   51   1HD   LYS  10          HD2       LYS  10   7.482  -9.177  -3.015
   52   2HD   LYS  10          HD1       LYS  10   7.225  -7.446  -3.117
   53   1HE   LYS  10          HE2       LYS  10   9.584  -7.981  -2.893
   54   2HE   LYS  10          HE1       LYS  10   9.039  -7.079  -1.495
   55   1HZ   LYS  10          HZ1       LYS  10   9.291 -10.043  -1.584
   56   2HZ   LYS  10          HZ2       LYS  10   8.965  -9.094  -0.220
   57   3HZ   LYS  10          HZ3       LYS  10  10.474  -9.001  -0.971
   58    H    GLY  11           HN       GLY  11   3.847  -5.058   0.376
   59   1HA   GLY  11          HA2       GLY  11   5.417  -3.337   2.168
   60   2HA   GLY  11          HA1       GLY  11   4.261  -2.583   1.082
   61    H    ILE  12           HN       ILE  12   3.230  -1.748   2.922
   62    HA   ILE  12           HA       ILE  12   1.642  -3.746   4.418
   63    HB   ILE  12           HB       ILE  12   2.527  -1.059   5.489
   64   1HG1  ILE  12          HG12      ILE  12   4.577  -2.267   5.021
   65   2HG1  ILE  12          HG11      ILE  12   4.297  -2.246   6.753
   66   1HG2  ILE  12          HG21      ILE  12   0.627  -2.079   6.605
   67   2HG2  ILE  12          HG22      ILE  12   2.038  -2.077   7.659
   68   3HG2  ILE  12          HG23      ILE  12   1.546  -3.564   6.848
   69   1HD1  ILE  12          HD11      ILE  12   3.970  -4.487   6.866
   70   2HD1  ILE  12          HD12      ILE  12   5.083  -4.410   5.507
   71   3HD1  ILE  12          HD13      ILE  12   3.367  -4.634   5.223
   72    H    TYR  13           HN       TYR  13  -0.559  -3.422   4.455
   73    HA   TYR  13           HA       TYR  13  -1.478  -0.925   3.218
   74   1HB   TYR  13          HB2       TYR  13  -3.437  -1.955   2.510
   75   2HB   TYR  13          HB1       TYR  13  -2.194  -3.111   2.177
   76    HD1  TYR  13           HD1      TYR  13  -5.171  -2.395   4.118
   77    HD2  TYR  13           HD2      TYR  13  -2.040  -5.214   3.479
   78    HE1  TYR  13           HE1      TYR  13  -6.465  -4.102   5.309
   79    HE2  TYR  13           HE2      TYR  13  -3.337  -6.926   4.668
   80    HH   TYR  13           HH       TYR  13  -5.495  -6.567   6.653
   81    H    TRP  14           HN       TRP  14  -2.869   0.416   4.154
   82    HA   TRP  14           HA       TRP  14  -3.248   0.061   7.056
   83   1HB   TRP  14          HB2       TRP  14  -3.245   2.546   5.319
   84   2HB   TRP  14          HB1       TRP  14  -3.539   2.512   7.052
   85    HD1  TRP  14           HD1      TRP  14  -0.670   1.583   4.593
   86    HE1  TRP  14           HE1      TRP  14   1.568   2.021   5.793
   87    HE3  TRP  14           HE3      TRP  14  -2.453   2.961   9.187
   88    HZ2  TRP  14           HZ2      TRP  14   2.457   2.841   8.337
   89    HZ3  TRP  14           HZ3      TRP  14  -0.839   3.559  10.945
   90    HH2  TRP  14           HH2      TRP  14   1.564   3.498  10.526
   91    H    PHE  15           HN       PHE  15  -5.259   0.263   7.974
   92    HA   PHE  15           HA       PHE  15  -7.368  -0.554   6.262
   93   1HB   PHE  15          HB2       PHE  15  -7.218  -0.053   9.223
   94   2HB   PHE  15          HB1       PHE  15  -8.717  -0.543   8.443
   95    HD1  PHE  15           HD1      PHE  15  -5.553  -1.656   9.749
   96    HD2  PHE  15           HD2      PHE  15  -8.795  -2.717   7.202
   97    HE1  PHE  15           HE1      PHE  15  -4.892  -4.018   9.893
   98    HE2  PHE  15           HE2      PHE  15  -8.133  -5.084   7.336
   99    HZ   PHE  15           HZ       PHE  15  -6.179  -5.736   8.687
  100    H    TYR  16           HN       TYR  16  -8.855   0.535   5.298
  101    HA   TYR  16           HA       TYR  16 -10.024   2.224   4.428
  102   1HB   TYR  16          HB2       TYR  16 -11.754   3.081   5.859
  103   2HB   TYR  16          HB1       TYR  16 -11.464   1.388   6.206
  104    HD1  TYR  16           HD1      TYR  16 -11.106   4.823   7.485
  105    HD2  TYR  16           HD2      TYR  16 -10.677   0.685   8.384
  106    HE1  TYR  16           HE1      TYR  16 -10.906   5.372   9.858
  107    HE2  TYR  16           HE2      TYR  16 -10.482   1.227  10.774
  108    HH   TYR  16           HH       TYR  16  -9.664   3.727  12.044
  109    H    ARG  17           HN       ARG  17  -7.268   3.111   5.149
  110    HA   ARG  17           HA       ARG  17  -7.708   5.916   5.791
  111   1HB   ARG  17          HB2       ARG  17  -5.186   4.353   5.300
  112   2HB   ARG  17          HB1       ARG  17  -5.224   6.093   5.578
  113   1HG   ARG  17          HG2       ARG  17  -6.329   5.643   7.772
  114   2HG   ARG  17          HG1       ARG  17  -6.067   3.924   7.484
  115   1HD   ARG  17          HD2       ARG  17  -3.662   4.317   7.356
  116   2HD   ARG  17          HD1       ARG  17  -3.939   6.020   7.589
  117    HE   ARG  17           HE       ARG  17  -4.766   4.069   9.640
  118   1HH1  ARG  17          HH11      ARG  17  -2.851   6.866   8.696
  119   2HH1  ARG  17          HH12      ARG  17  -2.353   7.198  10.304
  120   1HH2  ARG  17          HH21      ARG  17  -4.089   4.552  11.770
  121   2HH2  ARG  17          HH22      ARG  17  -3.038   5.901  12.049
  122    HA   PRO  18           HA       PRO  18  -8.021   6.519   1.351
  123   1HB   PRO  18          HB2       PRO  18  -9.033   9.008   1.409
  124   2HB   PRO  18          HB1       PRO  18  -9.969   7.611   1.939
  125   1HG   PRO  18          HG2       PRO  18  -8.530   9.643   3.585
  126   2HG   PRO  18          HG1       PRO  18 -10.120   8.905   3.847
  127   1HD   PRO  18          HD2       PRO  18  -7.774   8.112   5.094
  128   2HD   PRO  18          HD1       PRO  18  -9.230   7.115   4.922
  129    H    SER  19           HN       SER  19  -5.465   7.095   2.938
  130    HA   SER  19           HA       SER  19  -4.148   8.604   0.901
  131   1HB   SER  19          HB2       SER  19  -4.970  10.430   2.350
  132   2HB   SER  19          HB1       SER  19  -4.211   9.670   3.747
  133    HG   SER  19           HG       SER  19  -2.841  11.249   2.963
  134    H    CYS  20           HN       CYS  20  -1.832   8.369   1.075
  135    HA   CYS  20           HA       CYS  20  -1.103   6.058   2.740
  136   1HB   CYS  20          HB2       CYS  20  -0.933   5.674   0.360
  137   2HB   CYS  20          HB1       CYS  20   0.148   7.053   0.195
  138    HA   PRO  21           HA       PRO  21   1.470   9.136   4.824
  139   1HB   PRO  21          HB2       PRO  21   2.066   7.187   6.857
  140   2HB   PRO  21          HB1       PRO  21   0.949   8.539   6.927
  141   1HG   PRO  21          HG2       PRO  21   0.252   5.850   6.929
  142   2HG   PRO  21          HG1       PRO  21  -0.839   7.211   6.626
  143   1HD   PRO  21          HD2       PRO  21   0.440   5.339   4.702
  144   2HD   PRO  21          HD1       PRO  21  -1.126   6.176   4.633
  145    H    THR  22           HN       THR  22   2.959   8.851   2.981
  146    HA   THR  22           HA       THR  22   4.938   6.745   3.340
  147    HB   THR  22           HB       THR  22   4.001   6.872   1.130
  148    HG1  THR  22           HG1      THR  22   6.660   7.903   0.962
  149   1HG2  THR  22          HG21      THR  22   5.077   9.185  -0.009
  150   2HG2  THR  22          HG22      THR  22   4.276   9.728   1.463
  151   3HG2  THR  22          HG23      THR  22   3.381   8.806   0.260
  152    H    ASP  23           HN       ASP  23   6.016   7.518   5.094
  153    HA   ASP  23           HA       ASP  23   8.141   9.427   4.301
  154   1HB   ASP  23          HB2       ASP  23   6.942  10.343   6.243
  155   2HB   ASP  23          HB1       ASP  23   7.155   8.827   7.109
  156    H    ARG  24           HN       ARG  24   7.176   6.362   4.525
  157    HA   ARG  24           HA       ARG  24   9.569   5.211   5.723
  158   1HB   ARG  24          HB2       ARG  24   7.206   3.735   4.556
  159   2HB   ARG  24          HB1       ARG  24   8.356   3.182   5.769
  160   1HG   ARG  24          HG2       ARG  24   6.360   5.410   6.208
  161   2HG   ARG  24          HG1       ARG  24   6.095   3.731   6.632
  162   1HD   ARG  24          HD2       ARG  24   8.517   5.156   7.643
  163   2HD   ARG  24          HD1       ARG  24   6.963   5.410   8.397
  164    HE   ARG  24           HE       ARG  24   6.839   2.955   8.715
  165   1HH1  ARG  24          HH11      ARG  24   9.985   4.498   8.375
  166   2HH1  ARG  24          HH12      ARG  24  10.773   3.338   9.365
  167   1HH2  ARG  24          HH21      ARG  24   7.924   1.442  10.029
  168   2HH2  ARG  24          HH22      ARG  24   9.627   1.608  10.302
  169    H    GLY  25           HN       GLY  25   8.405   6.161   2.677
  170   1HA   GLY  25          HA2       GLY  25   9.647   6.026   0.708
  171   2HA   GLY  25          HA1       GLY  25  10.521   4.637   1.332
  172    H    TYR  26           HN       TYR  26   7.064   5.456   0.875
  173    HA   TYR  26           HA       TYR  26   6.584   2.762  -0.138
  174   1HB   TYR  26          HB2       TYR  26   4.726   5.066   0.436
  175   2HB   TYR  26          HB1       TYR  26   4.190   3.520  -0.191
  176    HD1  TYR  26           HD1      TYR  26   4.026   5.247   2.647
  177    HD2  TYR  26           HD2      TYR  26   5.566   1.543   1.310
  178    HE1  TYR  26           HE1      TYR  26   3.814   4.357   4.924
  179    HE2  TYR  26           HE2      TYR  26   5.339   0.613   3.575
  180    HH   TYR  26           HH       TYR  26   5.294   1.802   6.059
  181    H    THR  27           HN       THR  27   6.863   2.339  -2.210
  182    HA   THR  27           HA       THR  27   7.062   4.477  -4.136
  183    HB   THR  27           HB       THR  27   7.157   1.482  -4.668
  184    HG1  THR  27           HG1      THR  27   9.291   3.240  -3.895
  185   1HG2  THR  27          HG21      THR  27   8.608   2.165  -6.534
  186   2HG2  THR  27          HG22      THR  27   8.338   3.858  -6.122
  187   3HG2  THR  27          HG23      THR  27   6.994   2.858  -6.675
  188    H    GLY  28           HN       GLY  28   4.905   1.689  -3.595
  189   1HA   GLY  28          HA2       GLY  28   3.030   2.852  -5.575
  190   2HA   GLY  28          HA1       GLY  28   3.153   1.154  -5.149
  191    H    SER  29           HN       SER  29   0.769   2.632  -5.119
  192    HA   SER  29           HA       SER  29   0.017   2.140  -2.347
  193   1HB   SER  29          HB2       SER  29  -0.617   4.744  -3.742
  194   2HB   SER  29          HB1       SER  29  -1.236   4.241  -2.166
  195    HG   SER  29           HG       SER  29   0.655   5.630  -2.096
  196    H    CYS  30           HN       CYS  30  -0.875   0.281  -3.337
  197    HA   CYS  30           HA       CYS  30  -3.105   0.680  -5.230
  198   1HB   CYS  30          HB2       CYS  30  -2.281  -2.019  -4.217
  199   2HB   CYS  30          HB1       CYS  30  -2.846  -1.534  -5.809
  200    H    ARG  31           HN       ARG  31  -5.290   0.141  -4.610
  201    HA   ARG  31           HA       ARG  31  -5.645   0.064  -1.737
  202   1HB   ARG  31          HB2       ARG  31  -7.261   1.365  -2.944
  203   2HB   ARG  31          HB1       ARG  31  -7.745  -0.041  -3.896
  204   1HG   ARG  31          HG2       ARG  31  -8.534  -1.167  -1.889
  205   2HG   ARG  31          HG1       ARG  31  -7.980   0.177  -0.897
  206   1HD   ARG  31          HD2       ARG  31  -9.598   1.619  -1.977
  207   2HD   ARG  31          HD1       ARG  31 -10.110   0.299  -3.011
  208    HE   ARG  31           HE       ARG  31 -10.864  -0.898  -1.011
  209   1HH1  ARG  31          HH11      ARG  31 -10.352   2.569  -0.691
  210   2HH1  ARG  31          HH12      ARG  31 -11.530   2.732   0.547
  211   1HH2  ARG  31          HH21      ARG  31 -12.403  -0.655   0.641
  212   2HH2  ARG  31          HH22      ARG  31 -12.698   0.912   1.319
  213    H    TYR  32           HN       TYR  32  -5.677  -1.656  -0.572
  214    HA   TYR  32           HA       TYR  32  -6.038  -4.309  -1.759
  215   1HB   TYR  32          HB2       TYR  32  -4.200  -3.597  -0.051
  216   2HB   TYR  32          HB1       TYR  32  -5.467  -3.700   1.153
  217    HD1  TYR  32           HD1      TYR  32  -6.228  -5.846   1.935
  218    HD2  TYR  32           HD2      TYR  32  -3.492  -5.601  -1.320
  219    HE1  TYR  32           HE1      TYR  32  -5.803  -8.258   2.115
  220    HE2  TYR  32           HE2      TYR  32  -3.066  -8.012  -1.147
  221    HH   TYR  32           HH       TYR  32  -4.762 -10.108   0.007
  222    H    PHE  33           HN       PHE  33  -7.505  -5.785  -0.529
  223    HA   PHE  33           HA       PHE  33 -10.081  -5.044  -0.727
  224   1HB   PHE  33          HB2       PHE  33  -8.980  -7.052   1.240
  225   2HB   PHE  33          HB1       PHE  33 -10.673  -6.946   0.772
  226    HD1  PHE  33           HD1      PHE  33 -11.371  -7.509  -1.520
  227    HD2  PHE  33           HD2      PHE  33  -7.363  -8.061  -0.204
  228    HE1  PHE  33           HE1      PHE  33 -10.948  -9.002  -3.426
  229    HE2  PHE  33           HE2      PHE  33  -6.930  -9.550  -2.105
  230    HZ   PHE  33           HZ       PHE  33  -8.727 -10.025  -3.722
  231    H    LEU  34           HN       LEU  34  -8.169  -4.618   2.262
  232    HA   LEU  34           HA       LEU  34 -10.552  -3.368   3.486
  233   1HB   LEU  34          HB2       LEU  34  -8.218  -4.789   4.736
  234   2HB   LEU  34          HB1       LEU  34  -9.373  -3.865   5.655
  235    HG   LEU  34           HG       LEU  34  -9.944  -6.149   5.876
  236   1HD1  LEU  34          HD11      LEU  34 -12.209  -6.176   5.119
  237   2HD1  LEU  34          HD12      LEU  34 -11.875  -4.960   3.889
  238   3HD1  LEU  34          HD13      LEU  34 -11.804  -4.531   5.599
  239   1HD2  LEU  34          HD21      LEU  34 -10.419  -6.527   2.968
  240   2HD2  LEU  34          HD22      LEU  34 -10.064  -7.700   4.223
  241   3HD2  LEU  34          HD23      LEU  34  -8.775  -6.686   3.585
  242    H    GLY  35           HN       GLY  35  -8.088  -2.166   1.867
  243   1HA   GLY  35          HA2       GLY  35  -8.285   0.362   2.849
  244   2HA   GLY  35          HA1       GLY  35  -7.039  -0.357   3.844
  245    H    THR  36           HN       THR  36  -5.717   1.375   2.929
  246    HA   THR  36           HA       THR  36  -5.044   1.060   0.103
  247    HB   THR  36           HB       THR  36  -4.132   3.163   2.090
  248    HG1  THR  36           HG1      THR  36  -6.157   3.230   0.055
  249   1HG2  THR  36          HG21      THR  36  -2.531   3.046   0.316
  250   2HG2  THR  36          HG22      THR  36  -3.588   4.413  -0.022
  251   3HG2  THR  36          HG23      THR  36  -3.799   2.903  -0.905
  252    H    CYS  37           HN       CYS  37  -3.458  -0.210  -0.481
  253    HA   CYS  37           HA       CYS  37  -1.475  -1.137   1.395
  254   1HB   CYS  37          HB2       CYS  37  -2.461  -2.800   0.007
  255   2HB   CYS  37          HB1       CYS  37  -2.073  -1.897  -1.437
  256    H    CYS  38           HN       CYS  38   0.118   0.201   1.810
  257    HA   CYS  38           HA       CYS  38   1.311   1.781  -0.344
  258   1HB   CYS  38          HB2       CYS  38   1.835   1.700   2.637
  259   2HB   CYS  38          HB1       CYS  38   2.631   2.738   1.486
  260    H    THR  39           HN       THR  39   2.752   0.736  -1.558
  261    HA   THR  39           HA       THR  39   4.251  -1.444  -0.346
  262    HB   THR  39           HB       THR  39   4.582  -1.844  -2.997
  263    HG1  THR  39           HG1      THR  39   1.915  -0.874  -2.768
  264   1HG2  THR  39          HG21      THR  39   3.913  -3.630  -1.746
  265   2HG2  THR  39          HG22      THR  39   2.468  -3.299  -2.681
  266   3HG2  THR  39          HG23      THR  39   2.571  -2.771  -1.010
  267    HA   PRO  40           HA       PRO  40   8.130   0.396  -1.594
  268   1HB   PRO  40          HB2       PRO  40   9.549  -0.469   0.523
  269   2HB   PRO  40          HB1       PRO  40   8.507   0.928   0.644
  270   1HG   PRO  40          HG2       PRO  40   8.045  -1.825   1.631
  271   2HG   PRO  40          HG1       PRO  40   7.594  -0.272   2.354
  272   1HD   PRO  40          HD2       PRO  40   6.001  -1.952   0.794
  273   2HD   PRO  40          HD1       PRO  40   5.561  -0.348   1.313
  274    H    ALA  41           HN       ALA  41  10.240  -1.449  -0.795
  275    HA   ALA  41           HA       ALA  41   9.385  -3.964  -2.075
  276   1HB   ALA  41          HB1       ALA  41  11.933  -2.453  -2.654
  277   2HB   ALA  41          HB2       ALA  41  10.536  -2.564  -3.724
  278   3HB   ALA  41          HB3       ALA  41  11.458  -4.014  -3.329
  279    H    ASP  42           HN       ASP  42   9.230  -4.436   0.320
  280    HA   ASP  42           HA       ASP  42  11.805  -4.838   1.636
  281   1HB   ASP  42          HB2       ASP  42   9.868  -4.122   2.968
  282   2HB   ASP  42          HB1       ASP  42   9.012  -5.599   2.531
  Start of MODEL   18
    1   1H    GLY   1           HT1      GLY   1   2.038 -10.072   9.923
    2   2H    GLY   1           HT2      GLY   1   3.276  -9.154  10.619
    3   3H    GLY   1           HT3      GLY   1   3.198  -9.326   8.939
    4   1HA   GLY   1          HA1       GLY   1   1.217  -7.918  10.643
    5   2HA   GLY   1          HA2       GLY   1   2.422  -7.143   9.623
    6    H    THR   2           HN       THR   2   0.370  -6.131   8.795
    7    HA   THR   2           HA       THR   2  -1.239  -7.804   7.031
    8    HB   THR   2           HB       THR   2  -2.354  -5.587   6.493
    9    HG1  THR   2           HG1      THR   2  -0.863  -4.532   8.652
   10   1HG2  THR   2          HG21      THR   2  -3.264  -7.082   8.191
   11   2HG2  THR   2          HG22      THR   2  -3.493  -5.389   8.625
   12   3HG2  THR   2          HG23      THR   2  -2.216  -6.330   9.395
   13    H    ALA   3           HN       ALA   3   1.036  -8.288   6.062
   14    HA   ALA   3           HA       ALA   3   2.107  -6.293   4.333
   15   1HB   ALA   3          HB1       ALA   3   3.536  -7.911   5.456
   16   2HB   ALA   3          HB2       ALA   3   3.730  -7.990   3.706
   17   3HB   ALA   3          HB3       ALA   3   2.781  -9.219   4.547
   18    H    CYS   4           HN       CYS   4   1.705  -5.946   2.246
   19    HA   CYS   4           HA       CYS   4   0.338  -8.048   0.683
   20   1HB   CYS   4          HB2       CYS   4  -0.955  -6.254  -0.463
   21   2HB   CYS   4          HB1       CYS   4  -1.380  -6.461   1.227
   22    H    SER   5           HN       SER   5   0.804  -7.975  -1.602
   23    HA   SER   5           HA       SER   5   3.136  -6.323  -2.285
   24   1HB   SER   5          HB2       SER   5   4.089  -8.421  -3.419
   25   2HB   SER   5          HB1       SER   5   4.198  -8.301  -1.666
   26    HG   SER   5           HG       SER   5   2.580  -9.770  -1.448
   27    H    CYS   6           HN       CYS   6   2.983  -5.352  -4.131
   28    HA   CYS   6           HA       CYS   6   1.158  -6.403  -6.209
   29   1HB   CYS   6          HB2       CYS   6   2.093  -3.545  -5.808
   30   2HB   CYS   6          HB1       CYS   6   0.950  -4.123  -7.018
   31    H    GLY   7           HN       GLY   7   2.603  -7.715  -7.294
   32   1HA   GLY   7          HA2       GLY   7   4.245  -8.191  -8.818
   33   2HA   GLY   7          HA1       GLY   7   4.516  -6.465  -9.017
   34    H    ASN   8           HN       ASN   8   6.426  -5.712  -8.310
   35    HA   ASN   8           HA       ASN   8   8.063  -7.434  -6.564
   36   1HB   ASN   8          HB2       ASN   8   9.944  -6.206  -7.269
   37   2HB   ASN   8          HB1       ASN   8   8.989  -6.464  -8.724
   38   1HD2  ASN   8          HD21      ASN   8  10.978  -4.355  -7.791
   39   2HD2  ASN   8          HD22      ASN   8  10.174  -2.870  -8.150
   40    H    SER   9           HN       SER   9   5.978  -4.793  -6.399
   41    HA   SER   9           HA       SER   9   7.385  -3.420  -4.292
   42   1HB   SER   9          HB2       SER   9   4.635  -2.907  -5.444
   43   2HB   SER   9          HB1       SER   9   5.572  -1.812  -4.423
   44    HG   SER   9           HG       SER   9   6.985  -1.477  -6.066
   45    H    LYS  10           HN       LYS  10   7.323  -4.313  -2.310
   46    HA   LYS  10           HA       LYS  10   4.776  -5.497  -1.409
   47   1HB   LYS  10          HB2       LYS  10   6.094  -7.059  -0.065
   48   2HB   LYS  10          HB1       LYS  10   6.373  -7.202  -1.792
   49   1HG   LYS  10          HG2       LYS  10   8.473  -5.987  -1.568
   50   2HG   LYS  10          HG1       LYS  10   8.202  -5.818   0.168
   51   1HD   LYS  10          HD2       LYS  10   9.738  -7.648  -0.322
   52   2HD   LYS  10          HD1       LYS  10   8.247  -8.252   0.403
   53   1HE   LYS  10          HE2       LYS  10   7.428  -8.813  -1.887
   54   2HE   LYS  10          HE1       LYS  10   8.986  -8.294  -2.524
   55   1HZ   LYS  10          HZ1       LYS  10   8.856 -10.680  -2.246
   56   2HZ   LYS  10          HZ2       LYS  10   8.529 -10.508  -0.597
   57   3HZ   LYS  10          HZ3       LYS  10  10.033 -10.035  -1.217
   58    H    GLY  11           HN       GLY  11   3.903  -4.705   0.371
   59   1HA   GLY  11          HA2       GLY  11   5.528  -3.405   2.403
   60   2HA   GLY  11          HA1       GLY  11   4.468  -2.359   1.487
   61    H    ILE  12           HN       ILE  12   3.041  -1.795   3.022
   62    HA   ILE  12           HA       ILE  12   1.563  -3.980   4.371
   63    HB   ILE  12           HB       ILE  12   2.308  -1.271   5.512
   64   1HG1  ILE  12          HG12      ILE  12   4.293  -2.693   5.317
   65   2HG1  ILE  12          HG11      ILE  12   3.834  -2.488   7.001
   66   1HG2  ILE  12          HG21      ILE  12   1.512  -2.292   7.651
   67   2HG2  ILE  12          HG22      ILE  12   0.886  -3.642   6.707
   68   3HG2  ILE  12          HG23      ILE  12   0.250  -2.018   6.456
   69   1HD1  ILE  12          HD11      ILE  12   2.773  -4.716   6.946
   70   2HD1  ILE  12          HD12      ILE  12   4.496  -4.754   6.599
   71   3HD1  ILE  12          HD13      ILE  12   3.337  -4.906   5.294
   72    H    TYR  13           HN       TYR  13  -0.660  -3.810   4.389
   73    HA   TYR  13           HA       TYR  13  -1.745  -1.416   3.109
   74   1HB   TYR  13          HB2       TYR  13  -3.641  -2.542   2.473
   75   2HB   TYR  13          HB1       TYR  13  -2.412  -3.748   2.276
   76    HD1  TYR  13           HD1      TYR  13  -5.326  -2.734   4.229
   77    HD2  TYR  13           HD2      TYR  13  -2.349  -5.738   3.685
   78    HE1  TYR  13           HE1      TYR  13  -6.636  -4.291   5.596
   79    HE2  TYR  13           HE2      TYR  13  -3.676  -7.300   5.040
   80    HH   TYR  13           HH       TYR  13  -5.797  -6.647   7.070
   81    H    TRP  14           HN       TRP  14  -2.877   0.024   4.170
   82    HA   TRP  14           HA       TRP  14  -3.177  -0.376   7.074
   83   1HB   TRP  14          HB2       TRP  14  -2.987   2.166   5.426
   84   2HB   TRP  14          HB1       TRP  14  -3.137   2.062   7.165
   85    HD1  TRP  14           HD1      TRP  14  -0.633   0.862   4.465
   86    HE1  TRP  14           HE1      TRP  14   1.728   0.980   5.474
   87    HE3  TRP  14           HE3      TRP  14  -1.839   2.415   9.188
   88    HZ2  TRP  14           HZ2      TRP  14   2.926   1.652   7.937
   89    HZ3  TRP  14           HZ3      TRP  14  -0.023   2.777  10.805
   90    HH2  TRP  14           HH2      TRP  14   2.308   2.405  10.191
   91    H    PHE  15           HN       PHE  15  -5.114   0.133   8.078
   92    HA   PHE  15           HA       PHE  15  -7.396  -0.382   6.435
   93   1HB   PHE  15          HB2       PHE  15  -7.150   0.234   9.383
   94   2HB   PHE  15          HB1       PHE  15  -8.660  -0.213   8.598
   95    HD1  PHE  15           HD1      PHE  15  -5.420  -1.413   9.787
   96    HD2  PHE  15           HD2      PHE  15  -9.015  -2.475   7.756
   97    HE1  PHE  15           HE1      PHE  15  -4.894  -3.794  10.100
   98    HE2  PHE  15           HE2      PHE  15  -8.487  -4.855   8.067
   99    HZ   PHE  15           HZ       PHE  15  -6.426  -5.518   9.239
  100    H    TYR  16           HN       TYR  16  -8.230   1.139   5.211
  101    HA   TYR  16           HA       TYR  16  -9.104   3.064   4.435
  102   1HB   TYR  16          HB2       TYR  16  -9.970   3.415   7.314
  103   2HB   TYR  16          HB1       TYR  16 -10.751   4.075   5.880
  104    HD1  TYR  16           HD1      TYR  16 -11.816   2.468   4.228
  105    HD2  TYR  16           HD2      TYR  16 -10.514   1.262   8.100
  106    HE1  TYR  16           HE1      TYR  16 -13.230   0.464   4.078
  107    HE2  TYR  16           HE2      TYR  16 -11.922  -0.742   7.955
  108    HH   TYR  16           HH       TYR  16 -12.945  -2.106   5.554
  109    H    ARG  17           HN       ARG  17  -6.594   3.663   4.458
  110    HA   ARG  17           HA       ARG  17  -6.415   6.281   5.828
  111   1HB   ARG  17          HB2       ARG  17  -4.419   4.052   5.743
  112   2HB   ARG  17          HB1       ARG  17  -3.878   5.719   5.905
  113   1HG   ARG  17          HG2       ARG  17  -5.007   6.004   7.954
  114   2HG   ARG  17          HG1       ARG  17  -5.887   4.487   7.766
  115   1HD   ARG  17          HD2       ARG  17  -3.927   3.219   8.079
  116   2HD   ARG  17          HD1       ARG  17  -2.877   4.621   7.941
  117    HE   ARG  17           HE       ARG  17  -3.217   5.026  10.149
  118   1HH1  ARG  17          HH11      ARG  17  -5.824   2.907   9.080
  119   2HH1  ARG  17          HH12      ARG  17  -6.360   2.590  10.683
  120   1HH2  ARG  17          HH21      ARG  17  -3.936   4.562  12.248
  121   2HH2  ARG  17          HH22      ARG  17  -5.294   3.513  12.484
  122    HA   PRO  18           HA       PRO  18  -5.652   7.071   1.373
  123   1HB   PRO  18          HB2       PRO  18  -6.970   9.628   1.957
  124   2HB   PRO  18          HB1       PRO  18  -7.414   8.371   0.802
  125   1HG   PRO  18          HG2       PRO  18  -8.853   8.892   3.032
  126   2HG   PRO  18          HG1       PRO  18  -8.755   7.279   2.302
  127   1HD   PRO  18          HD2       PRO  18  -7.290   8.381   4.673
  128   2HD   PRO  18          HD1       PRO  18  -8.050   6.789   4.445
  129    H    SER  19           HN       SER  19  -4.498   8.100   4.290
  130    HA   SER  19           HA       SER  19  -2.683  10.081   3.120
  131   1HB   SER  19          HB2       SER  19  -3.287   9.514   6.037
  132   2HB   SER  19          HB1       SER  19  -2.214  10.767   5.411
  133    HG   SER  19           HG       SER  19  -4.371  11.488   5.968
  134    H    CYS  20           HN       CYS  20  -1.526   8.365   2.090
  135    HA   CYS  20           HA       CYS  20  -0.341   6.278   3.644
  136   1HB   CYS  20          HB2       CYS  20  -0.951   6.010   1.275
  137   2HB   CYS  20          HB1       CYS  20   0.297   7.163   0.834
  138    HA   PRO  21           HA       PRO  21   2.787   9.074   5.209
  139   1HB   PRO  21          HB2       PRO  21   4.109   6.624   6.213
  140   2HB   PRO  21          HB1       PRO  21   3.461   8.010   7.093
  141   1HG   PRO  21          HG2       PRO  21   2.260   5.604   7.115
  142   2HG   PRO  21          HG1       PRO  21   1.347   7.121   7.206
  143   1HD   PRO  21          HD2       PRO  21   1.754   5.293   4.878
  144   2HD   PRO  21          HD1       PRO  21   0.318   6.192   5.396
  145    H    THR  22           HN       THR  22   4.409   9.921   4.049
  146    HA   THR  22           HA       THR  22   5.807   8.359   2.065
  147    HB   THR  22           HB       THR  22   6.629  11.172   2.803
  148    HG1  THR  22           HG1      THR  22   4.190  10.478   1.450
  149   1HG2  THR  22          HG21      THR  22   7.736   9.996   0.958
  150   2HG2  THR  22          HG22      THR  22   6.804  11.378   0.387
  151   3HG2  THR  22          HG23      THR  22   6.170   9.746   0.182
  152    H    ASP  23           HN       ASP  23   6.204   7.751   4.967
  153    HA   ASP  23           HA       ASP  23   8.980   8.456   5.466
  154   1HB   ASP  23          HB2       ASP  23   7.471   8.703   7.326
  155   2HB   ASP  23          HB1       ASP  23   6.854   7.070   7.111
  156    H    ARG  24           HN       ARG  24   6.999   5.783   4.443
  157    HA   ARG  24           HA       ARG  24   9.094   3.843   5.048
  158   1HB   ARG  24          HB2       ARG  24   6.257   3.608   4.178
  159   2HB   ARG  24          HB1       ARG  24   7.268   2.208   4.398
  160   1HG   ARG  24          HG2       ARG  24   6.619   4.227   6.552
  161   2HG   ARG  24          HG1       ARG  24   5.769   2.703   6.319
  162   1HD   ARG  24          HD2       ARG  24   8.666   3.076   6.973
  163   2HD   ARG  24          HD1       ARG  24   7.424   2.441   8.040
  164    HE   ARG  24           HE       ARG  24   7.207   0.633   6.201
  165   1HH1  ARG  24          HH11      ARG  24  10.217   2.113   7.289
  166   2HH1  ARG  24          HH12      ARG  24  11.158   0.736   6.873
  167   1HH2  ARG  24          HH21      ARG  24   8.478  -1.149   5.639
  168   2HH2  ARG  24          HH22      ARG  24  10.167  -1.129   5.982
  169    H    GLY  25           HN       GLY  25   9.047   5.813   2.630
  170   1HA   GLY  25          HA2       GLY  25   9.789   5.763   0.488
  171   2HA   GLY  25          HA1       GLY  25  10.578   4.268   0.957
  172    H    TYR  26           HN       TYR  26   7.103   4.486   1.067
  173    HA   TYR  26           HA       TYR  26   6.523   2.255  -0.392
  174   1HB   TYR  26          HB2       TYR  26   4.882   4.763  -0.146
  175   2HB   TYR  26          HB1       TYR  26   4.269   3.218  -0.725
  176    HD1  TYR  26           HD1      TYR  26   5.067   1.227   1.029
  177    HD2  TYR  26           HD2      TYR  26   4.164   5.239   1.989
  178    HE1  TYR  26           HE1      TYR  26   4.489   0.516   3.314
  179    HE2  TYR  26           HE2      TYR  26   3.582   4.565   4.277
  180    HH   TYR  26           HH       TYR  26   4.265   1.445   5.540
  181    H    THR  27           HN       THR  27   6.578   1.720  -2.481
  182    HA   THR  27           HA       THR  27   7.409   3.687  -4.432
  183    HB   THR  27           HB       THR  27   7.024   0.690  -4.778
  184    HG1  THR  27           HG1      THR  27   9.390   2.168  -4.104
  185   1HG2  THR  27          HG21      THR  27   8.642   1.024  -6.635
  186   2HG2  THR  27          HG22      THR  27   8.502   2.766  -6.406
  187   3HG2  THR  27          HG23      THR  27   7.095   1.824  -6.904
  188    H    GLY  28           HN       GLY  28   4.680   1.538  -3.762
  189   1HA   GLY  28          HA2       GLY  28   3.059   3.127  -5.647
  190   2HA   GLY  28          HA1       GLY  28   3.070   1.372  -5.768
  191    H    SER  29           HN       SER  29   0.703   2.442  -5.422
  192    HA   SER  29           HA       SER  29   0.029   1.667  -2.670
  193   1HB   SER  29          HB2       SER  29   0.214   4.194  -2.869
  194   2HB   SER  29          HB1       SER  29  -1.179   4.130  -3.946
  195    HG   SER  29           HG       SER  29  -1.628   4.493  -1.657
  196    H    CYS  30           HN       CYS  30  -1.223  -0.026  -2.977
  197    HA   CYS  30           HA       CYS  30  -3.071  -0.104  -5.280
  198   1HB   CYS  30          HB2       CYS  30  -2.148  -2.365  -3.485
  199   2HB   CYS  30          HB1       CYS  30  -3.081  -2.505  -4.969
  200    H    ARG  31           HN       ARG  31  -5.287  -0.512  -4.942
  201    HA   ARG  31           HA       ARG  31  -6.232   0.145  -2.280
  202   1HB   ARG  31          HB2       ARG  31  -7.484   1.096  -4.076
  203   2HB   ARG  31          HB1       ARG  31  -7.721  -0.477  -4.825
  204   1HG   ARG  31          HG2       ARG  31  -9.735   0.289  -3.700
  205   2HG   ARG  31          HG1       ARG  31  -9.130  -1.181  -2.953
  206   1HD   ARG  31          HD2       ARG  31  -8.021   0.286  -1.217
  207   2HD   ARG  31          HD1       ARG  31  -8.862   1.637  -1.962
  208    HE   ARG  31           HE       ARG  31 -10.355  -0.686  -0.904
  209   1HH1  ARG  31          HH11      ARG  31  -9.614   2.747  -0.778
  210   2HH1  ARG  31          HH12      ARG  31 -10.921   3.100   0.277
  211   1HH2  ARG  31          HH21      ARG  31 -12.089  -0.186   0.501
  212   2HH2  ARG  31          HH22      ARG  31 -12.329   1.450   1.016
  213    H    TYR  32           HN       TYR  32  -6.354  -1.339  -0.771
  214    HA   TYR  32           HA       TYR  32  -6.891  -4.148  -1.504
  215   1HB   TYR  32          HB2       TYR  32  -4.945  -3.358   0.057
  216   2HB   TYR  32          HB1       TYR  32  -6.194  -3.162   1.269
  217    HD1  TYR  32           HD1      TYR  32  -4.368  -5.569  -0.828
  218    HD2  TYR  32           HD2      TYR  32  -7.236  -5.118   2.283
  219    HE1  TYR  32           HE1      TYR  32  -4.181  -7.960  -0.309
  220    HE2  TYR  32           HE2      TYR  32  -7.058  -7.511   2.797
  221    HH   TYR  32           HH       TYR  32  -6.108  -9.716   1.008
  222    H    PHE  33           HN       PHE  33  -8.613  -5.209  -0.475
  223    HA   PHE  33           HA       PHE  33 -10.984  -3.773  -0.481
  224   1HB   PHE  33          HB2       PHE  33 -10.381  -6.469   0.735
  225   2HB   PHE  33          HB1       PHE  33 -12.008  -5.845   0.483
  226    HD1  PHE  33           HD1      PHE  33 -12.800  -5.372  -1.844
  227    HD2  PHE  33           HD2      PHE  33  -9.172  -7.466  -1.054
  228    HE1  PHE  33           HE1      PHE  33 -12.799  -6.238  -4.142
  229    HE2  PHE  33           HE2      PHE  33  -9.170  -8.331  -3.353
  230    HZ   PHE  33           HZ       PHE  33 -10.984  -7.719  -4.903
  231    H    LEU  34           HN       LEU  34  -8.750  -3.998   2.105
  232    HA   LEU  34           HA       LEU  34 -10.790  -3.072   4.003
  233   1HB   LEU  34          HB2       LEU  34  -8.150  -4.396   4.481
  234   2HB   LEU  34          HB1       LEU  34  -9.130  -3.727   5.764
  235    HG   LEU  34           HG       LEU  34  -9.590  -6.001   5.852
  236   1HD1  LEU  34          HD11      LEU  34 -11.870  -6.221   5.279
  237   2HD1  LEU  34          HD12      LEU  34 -11.757  -5.012   4.005
  238   3HD1  LEU  34          HD13      LEU  34 -11.618  -4.530   5.699
  239   1HD2  LEU  34          HD21      LEU  34  -9.998  -6.163   2.872
  240   2HD2  LEU  34          HD22      LEU  34  -9.841  -7.470   4.035
  241   3HD2  LEU  34          HD23      LEU  34  -8.458  -6.465   3.657
  242    H    GLY  35           HN       GLY  35  -8.236  -1.946   2.098
  243   1HA   GLY  35          HA2       GLY  35  -8.467   0.646   2.894
  244   2HA   GLY  35          HA1       GLY  35  -7.259  -0.030   3.960
  245    H    THR  36           HN       THR  36  -5.590   1.194   3.245
  246    HA   THR  36           HA       THR  36  -5.017   1.260   0.381
  247    HB   THR  36           HB       THR  36  -3.537   2.795   2.534
  248    HG1  THR  36           HG1      THR  36  -6.044   3.496   1.328
  249   1HG2  THR  36          HG21      THR  36  -2.658   2.865   0.245
  250   2HG2  THR  36          HG22      THR  36  -3.298   4.430   0.745
  251   3HG2  THR  36          HG23      THR  36  -4.233   3.404  -0.342
  252    H    CYS  37           HN       CYS  37  -3.760  -0.345  -0.336
  253    HA   CYS  37           HA       CYS  37  -1.740  -1.580   1.330
  254   1HB   CYS  37          HB2       CYS  37  -2.975  -3.068  -0.049
  255   2HB   CYS  37          HB1       CYS  37  -2.662  -2.103  -1.470
  256    H    CYS  38           HN       CYS  38  -0.261   0.041   1.719
  257    HA   CYS  38           HA       CYS  38   0.963   1.380  -0.564
  258   1HB   CYS  38          HB2       CYS  38   1.392   1.601   2.420
  259   2HB   CYS  38          HB1       CYS  38   2.315   2.477   1.227
  260    H    THR  39           HN       THR  39   2.521   0.399  -1.662
  261    HA   THR  39           HA       THR  39   4.148  -1.621  -0.279
  262    HB   THR  39           HB       THR  39   4.225  -2.671  -2.602
  263    HG1  THR  39           HG1      THR  39   3.364  -1.117  -3.898
  264   1HG2  THR  39          HG21      THR  39   1.994  -2.674  -0.663
  265   2HG2  THR  39          HG22      THR  39   3.016  -3.981  -1.248
  266   3HG2  THR  39          HG23      THR  39   1.704  -3.405  -2.243
  267    HA   PRO  40           HA       PRO  40   7.655   0.407  -2.238
  268   1HB   PRO  40          HB2       PRO  40   9.363   0.077  -0.131
  269   2HB   PRO  40          HB1       PRO  40   8.292   1.423  -0.316
  270   1HG   PRO  40          HG2       PRO  40   8.137  -0.701   1.621
  271   2HG   PRO  40          HG1       PRO  40   7.233   0.813   1.558
  272   1HD   PRO  40          HD2       PRO  40   6.449  -1.839   0.694
  273   2HD   PRO  40          HD1       PRO  40   5.426  -0.464   0.991
  274    H    ALA  41           HN       ALA  41   8.884  -1.874   0.048
  275    HA   ALA  41           HA       ALA  41   9.101  -4.219  -1.274
  276   1HB   ALA  41          HB1       ALA  41  11.466  -4.095  -2.142
  277   2HB   ALA  41          HB2       ALA  41  11.328  -2.343  -1.991
  278   3HB   ALA  41          HB3       ALA  41  10.274  -3.221  -3.093
  279    H    ASP  42           HN       ASP  42   8.873  -3.107   1.344
  280    HA   ASP  42           HA       ASP  42  11.254  -4.204   2.668
  281   1HB   ASP  42          HB2       ASP  42  11.498  -1.715   2.227
  282   2HB   ASP  42          HB1       ASP  42  10.125  -1.457   3.297
  Start of MODEL   19
    1   1H    GLY   1           HT1      GLY   1   0.255  -7.651  11.543
    2   2H    GLY   1           HT2      GLY   1   1.863  -7.726  12.059
    3   3H    GLY   1           HT3      GLY   1   1.215  -8.987  11.137
    4   1HA   GLY   1          HA1       GLY   1   1.672  -6.201  10.226
    5   2HA   GLY   1          HA2       GLY   1   2.652  -7.596   9.799
    6    H    THR   2           HN       THR   2   0.128  -5.664   8.837
    7    HA   THR   2           HA       THR   2  -1.346  -7.672   7.355
    8    HB   THR   2           HB       THR   2  -2.488  -5.552   6.445
    9    HG1  THR   2           HG1      THR   2  -1.356  -3.810   6.845
   10   1HG2  THR   2          HG21      THR   2  -3.488  -6.881   8.204
   11   2HG2  THR   2          HG22      THR   2  -3.724  -5.162   8.503
   12   3HG2  THR   2          HG23      THR   2  -2.496  -6.046   9.401
   13    H    ALA   3           HN       ALA   3   0.540  -8.476   6.228
   14    HA   ALA   3           HA       ALA   3   2.103  -6.929   4.492
   15   1HB   ALA   3          HB1       ALA   3   2.863  -9.044   3.563
   16   2HB   ALA   3          HB2       ALA   3   1.520  -9.885   4.341
   17   3HB   ALA   3          HB3       ALA   3   2.771  -9.123   5.322
   18    H    CYS   4           HN       CYS   4   2.015  -6.494   2.345
   19    HA   CYS   4           HA       CYS   4  -0.193  -7.504   0.710
   20   1HB   CYS   4          HB2       CYS   4  -1.010  -5.446   1.845
   21   2HB   CYS   4          HB1       CYS   4   0.306  -4.540   1.119
   22    H    SER   5           HN       SER   5   0.167  -7.084  -1.585
   23    HA   SER   5           HA       SER   5   2.928  -6.326  -2.265
   24   1HB   SER   5          HB2       SER   5   2.922  -8.443  -3.746
   25   2HB   SER   5          HB1       SER   5   3.158  -8.644  -2.011
   26    HG   SER   5           HG       SER   5   1.586 -10.089  -2.990
   27    H    CYS   6           HN       CYS   6   3.161  -5.313  -4.166
   28    HA   CYS   6           HA       CYS   6   0.996  -5.439  -6.159
   29   1HB   CYS   6          HB2       CYS   6   2.190  -2.900  -5.041
   30   2HB   CYS   6          HB1       CYS   6   1.279  -2.963  -6.540
   31    H    GLY   7           HN       GLY   7   2.206  -6.623  -7.580
   32   1HA   GLY   7          HA2       GLY   7   3.619  -6.862  -9.357
   33   2HA   GLY   7          HA1       GLY   7   4.098  -5.182  -9.164
   34    H    ASN   8           HN       ASN   8   6.130  -4.822  -8.490
   35    HA   ASN   8           HA       ASN   8   7.698  -7.090  -7.441
   36   1HB   ASN   8          HB2       ASN   8   9.644  -5.849  -7.968
   37   2HB   ASN   8          HB1       ASN   8   8.568  -5.666  -9.349
   38   1HD2  ASN   8          HD21      ASN   8  10.796  -3.986  -8.227
   39   2HD2  ASN   8          HD22      ASN   8  10.098  -2.412  -8.085
   40    H    SER   9           HN       SER   9   5.960  -4.373  -6.423
   41    HA   SER   9           HA       SER   9   7.672  -3.674  -4.229
   42   1HB   SER   9          HB2       SER   9   4.836  -2.768  -4.793
   43   2HB   SER   9          HB1       SER   9   6.049  -1.971  -3.793
   44    HG   SER   9           HG       SER   9   5.758  -1.147  -6.007
   45    H    LYS  10           HN       LYS  10   7.491  -4.296  -2.147
   46    HA   LYS  10           HA       LYS  10   5.125  -5.882  -1.353
   47   1HB   LYS  10          HB2       LYS  10   6.514  -7.366  -0.073
   48   2HB   LYS  10          HB1       LYS  10   7.055  -7.366  -1.745
   49   1HG   LYS  10          HG2       LYS  10   8.967  -6.079  -1.230
   50   2HG   LYS  10          HG1       LYS  10   8.402  -5.726   0.395
   51   1HD   LYS  10          HD2       LYS  10  10.103  -7.400   0.505
   52   2HD   LYS  10          HD1       LYS  10   8.555  -8.118   0.951
   53   1HE   LYS  10          HE2       LYS  10   8.352  -9.038  -1.326
   54   2HE   LYS  10          HE1       LYS  10   9.916  -8.332  -1.735
   55   1HZ   LYS  10          HZ1       LYS  10  10.104 -10.663  -1.167
   56   2HZ   LYS  10          HZ2       LYS  10   9.428 -10.385   0.357
   57   3HZ   LYS  10          HZ3       LYS  10  10.935  -9.717  -0.037
   58    H    GLY  11           HN       GLY  11   4.175  -5.188   0.483
   59   1HA   GLY  11          HA2       GLY  11   5.682  -3.784   2.518
   60   2HA   GLY  11          HA1       GLY  11   4.657  -2.753   1.549
   61    H    ILE  12           HN       ILE  12   3.242  -2.142   3.051
   62    HA   ILE  12           HA       ILE  12   1.626  -4.250   4.354
   63    HB   ILE  12           HB       ILE  12   2.517  -1.604   5.539
   64   1HG1  ILE  12          HG12      ILE  12   4.413  -3.114   5.402
   65   2HG1  ILE  12          HG11      ILE  12   3.900  -2.963   7.076
   66   1HG2  ILE  12          HG21      ILE  12   0.929  -3.882   6.709
   67   2HG2  ILE  12          HG22      ILE  12   0.384  -2.230   6.425
   68   3HG2  ILE  12          HG23      ILE  12   1.603  -2.552   7.650
   69   1HD1  ILE  12          HD11      ILE  12   2.740  -5.121   6.887
   70   2HD1  ILE  12          HD12      ILE  12   4.467  -5.241   6.574
   71   3HD1  ILE  12          HD13      ILE  12   3.331  -5.277   5.244
   72    H    TYR  13           HN       TYR  13  -0.590  -3.902   4.394
   73    HA   TYR  13           HA       TYR  13  -1.477  -1.471   3.000
   74   1HB   TYR  13          HB2       TYR  13  -3.437  -2.519   2.358
   75   2HB   TYR  13          HB1       TYR  13  -2.224  -3.760   2.162
   76    HD1  TYR  13           HD1      TYR  13  -5.146  -2.681   4.087
   77    HD2  TYR  13           HD2      TYR  13  -2.236  -5.753   3.586
   78    HE1  TYR  13           HE1      TYR  13  -6.485  -4.191   5.455
   79    HE2  TYR  13           HE2      TYR  13  -3.607  -7.275   4.938
   80    HH   TYR  13           HH       TYR  13  -5.725  -6.549   6.957
   81    H    TRP  14           HN       TRP  14  -2.651   0.014   3.950
   82    HA   TRP  14           HA       TRP  14  -2.975  -0.172   6.861
   83   1HB   TRP  14          HB2       TRP  14  -3.007   2.213   4.982
   84   2HB   TRP  14          HB1       TRP  14  -3.144   2.295   6.736
   85    HD1  TRP  14           HD1      TRP  14  -0.557   0.478   4.442
   86    HE1  TRP  14           HE1      TRP  14   1.792   1.115   5.239
   87    HE3  TRP  14           HE3      TRP  14  -1.808   3.709   8.206
   88    HZ2  TRP  14           HZ2      TRP  14   2.969   2.777   7.186
   89    HZ3  TRP  14           HZ3      TRP  14  -0.010   4.790   9.475
   90    HH2  TRP  14           HH2      TRP  14   2.332   4.330   8.976
   91    H    PHE  15           HN       PHE  15  -4.966   0.393   7.837
   92    HA   PHE  15           HA       PHE  15  -7.198  -0.467   6.253
   93   1HB   PHE  15          HB2       PHE  15  -7.016   0.414   9.132
   94   2HB   PHE  15          HB1       PHE  15  -8.490  -0.198   8.384
   95    HD1  PHE  15           HD1      PHE  15  -5.456  -1.089  10.035
   96    HD2  PHE  15           HD2      PHE  15  -8.409  -2.510   7.321
   97    HE1  PHE  15           HE1      PHE  15  -4.749  -3.400  10.478
   98    HE2  PHE  15           HE2      PHE  15  -7.705  -4.828   7.759
   99    HZ   PHE  15           HZ       PHE  15  -5.872  -5.273   9.342
  100    H    TYR  16           HN       TYR  16  -7.355   1.152   4.716
  101    HA   TYR  16           HA       TYR  16  -8.178   2.939   3.677
  102   1HB   TYR  16          HB2       TYR  16  -9.974   2.889   6.104
  103   2HB   TYR  16          HB1       TYR  16 -10.226   3.989   4.749
  104    HD1  TYR  16           HD1      TYR  16 -10.151   2.777   2.362
  105    HD2  TYR  16           HD2      TYR  16 -11.189   0.900   6.044
  106    HE1  TYR  16           HE1      TYR  16 -11.375   1.041   1.130
  107    HE2  TYR  16           HE2      TYR  16 -12.411  -0.839   4.813
  108    HH   TYR  16           HH       TYR  16 -13.597  -0.815   2.287
  109    H    ARG  17           HN       ARG  17  -6.192   4.030   3.854
  110    HA   ARG  17           HA       ARG  17  -6.456   6.517   5.365
  111   1HB   ARG  17          HB2       ARG  17  -4.252   4.540   5.720
  112   2HB   ARG  17          HB1       ARG  17  -3.901   6.257   5.817
  113   1HG   ARG  17          HG2       ARG  17  -5.678   6.441   7.570
  114   2HG   ARG  17          HG1       ARG  17  -5.801   4.680   7.537
  115   1HD   ARG  17          HD2       ARG  17  -4.371   5.491   9.343
  116   2HD   ARG  17          HD1       ARG  17  -3.518   4.463   8.219
  117    HE   ARG  17           HE       ARG  17  -2.614   6.554   7.198
  118   1HH1  ARG  17          HH11      ARG  17  -3.565   6.498  10.582
  119   2HH1  ARG  17          HH12      ARG  17  -2.557   7.830  10.982
  120   1HH2  ARG  17          HH21      ARG  17  -1.324   8.324   7.752
  121   2HH2  ARG  17          HH22      ARG  17  -1.282   8.870   9.396
  122    HA   PRO  18           HA       PRO  18  -5.077   7.498   1.081
  123   1HB   PRO  18          HB2       PRO  18  -6.058  10.083   1.268
  124   2HB   PRO  18          HB1       PRO  18  -6.974   8.698   0.675
  125   1HG   PRO  18          HG2       PRO  18  -6.994   9.950   3.385
  126   2HG   PRO  18          HG1       PRO  18  -8.350   9.345   2.416
  127   1HD   PRO  18          HD2       PRO  18  -7.341   7.954   4.457
  128   2HD   PRO  18          HD1       PRO  18  -7.951   7.143   3.002
  129    H    SER  19           HN       SER  19  -4.461   8.621   4.260
  130    HA   SER  19           HA       SER  19  -2.256  10.354   3.432
  131   1HB   SER  19          HB2       SER  19  -3.361   9.870   6.214
  132   2HB   SER  19          HB1       SER  19  -2.253  11.145   5.702
  133    HG   SER  19           HG       SER  19  -4.544  11.730   5.911
  134    H    CYS  20           HN       CYS  20  -1.385   8.179   2.638
  135    HA   CYS  20           HA       CYS  20  -0.263   6.530   4.751
  136   1HB   CYS  20          HB2       CYS  20  -1.278   5.464   2.797
  137   2HB   CYS  20          HB1       CYS  20  -0.068   6.214   1.761
  138    HA   PRO  21           HA       PRO  21   3.291   9.242   4.709
  139   1HB   PRO  21          HB2       PRO  21   4.587   7.204   6.408
  140   2HB   PRO  21          HB1       PRO  21   4.143   8.870   6.767
  141   1HG   PRO  21          HG2       PRO  21   2.852   6.743   7.817
  142   2HG   PRO  21          HG1       PRO  21   2.060   8.298   7.505
  143   1HD   PRO  21          HD2       PRO  21   1.938   5.756   5.945
  144   2HD   PRO  21          HD1       PRO  21   0.676   6.957   6.294
  145    H    THR  22           HN       THR  22   4.252   9.150   2.720
  146    HA   THR  22           HA       THR  22   5.284   6.717   1.639
  147    HB   THR  22           HB       THR  22   6.158   8.358  -0.179
  148    HG1  THR  22           HG1      THR  22   5.452  10.425  -0.013
  149   1HG2  THR  22          HG21      THR  22   3.931   8.599  -1.134
  150   2HG2  THR  22          HG22      THR  22   3.203   8.192   0.419
  151   3HG2  THR  22          HG23      THR  22   4.154   6.988  -0.454
  152    H    ASP  23           HN       ASP  23   6.558   8.310   4.063
  153    HA   ASP  23           HA       ASP  23   9.222   8.834   3.218
  154   1HB   ASP  23          HB2       ASP  23   8.142   8.476   6.032
  155   2HB   ASP  23          HB1       ASP  23   9.653   9.258   5.574
  156    H    ARG  24           HN       ARG  24   7.570   5.996   3.730
  157    HA   ARG  24           HA       ARG  24   9.867   4.476   4.692
  158   1HB   ARG  24          HB2       ARG  24   6.997   3.786   4.063
  159   2HB   ARG  24          HB1       ARG  24   8.204   2.545   4.373
  160   1HG   ARG  24          HG2       ARG  24   7.770   4.776   6.339
  161   2HG   ARG  24          HG1       ARG  24   6.694   3.380   6.297
  162   1HD   ARG  24          HD2       ARG  24   9.675   3.058   6.447
  163   2HD   ARG  24          HD1       ARG  24   8.708   3.334   7.880
  164    HE   ARG  24           HE       ARG  24   7.424   1.316   7.304
  165   1HH1  ARG  24          HH11      ARG  24  10.681   1.637   5.984
  166   2HH1  ARG  24          HH12      ARG  24  10.893  -0.061   5.840
  167   1HH2  ARG  24          HH21      ARG  24   7.740  -0.916   7.083
  168   2HH2  ARG  24          HH22      ARG  24   9.238  -1.507   6.477
  169    H    GLY  25           HN       GLY  25   9.016   5.881   1.871
  170   1HA   GLY  25          HA2       GLY  25   9.888   5.639  -0.206
  171   2HA   GLY  25          HA1       GLY  25  10.718   4.186   0.328
  172    H    TYR  26           HN       TYR  26   7.232   4.938   0.372
  173    HA   TYR  26           HA       TYR  26   6.567   2.367  -0.630
  174   1HB   TYR  26          HB2       TYR  26   4.914   4.873  -0.304
  175   2HB   TYR  26          HB1       TYR  26   4.234   3.348  -0.860
  176    HD1  TYR  26           HD1      TYR  26   4.261   5.278   1.882
  177    HD2  TYR  26           HD2      TYR  26   5.279   1.321   0.780
  178    HE1  TYR  26           HE1      TYR  26   3.901   4.548   4.197
  179    HE2  TYR  26           HE2      TYR  26   4.928   0.572   3.098
  180    HH   TYR  26           HH       TYR  26   5.025   2.112   5.557
  181    H    THR  27           HN       THR  27   6.589   1.644  -2.635
  182    HA   THR  27           HA       THR  27   6.938   3.520  -4.844
  183    HB   THR  27           HB       THR  27   7.150   0.488  -4.783
  184    HG1  THR  27           HG1      THR  27   8.841   1.270  -3.614
  185   1HG2  THR  27          HG21      THR  27   8.446   0.896  -6.907
  186   2HG2  THR  27          HG22      THR  27   7.785   2.529  -6.916
  187   3HG2  THR  27          HG23      THR  27   6.706   1.136  -7.024
  188    H    GLY  28           HN       GLY  28   4.797   0.831  -3.893
  189   1HA   GLY  28          HA2       GLY  28   2.979   1.598  -6.098
  190   2HA   GLY  28          HA1       GLY  28   3.105   0.011  -5.365
  191    H    SER  29           HN       SER  29   0.941   2.177  -5.698
  192    HA   SER  29           HA       SER  29  -0.096   1.917  -2.940
  193   1HB   SER  29          HB2       SER  29   0.536   4.280  -3.598
  194   2HB   SER  29          HB1       SER  29  -0.757   4.211  -4.793
  195    HG   SER  29           HG       SER  29  -1.593   5.085  -2.926
  196    H    CYS  30           HN       CYS  30  -1.502   0.315  -3.123
  197    HA   CYS  30           HA       CYS  30  -3.438   0.332  -5.378
  198   1HB   CYS  30          HB2       CYS  30  -2.572  -2.087  -3.784
  199   2HB   CYS  30          HB1       CYS  30  -3.472  -2.040  -5.286
  200    H    ARG  31           HN       ARG  31  -5.540  -0.812  -4.710
  201    HA   ARG  31           HA       ARG  31  -6.165  -0.082  -1.920
  202   1HB   ARG  31          HB2       ARG  31  -7.767   0.772  -3.614
  203   2HB   ARG  31          HB1       ARG  31  -8.136  -0.893  -4.071
  204   1HG   ARG  31          HG2       ARG  31  -8.566  -1.100  -1.436
  205   2HG   ARG  31          HG1       ARG  31  -8.812   0.621  -1.602
  206   1HD   ARG  31          HD2       ARG  31 -10.594   0.311  -3.096
  207   2HD   ARG  31          HD1       ARG  31 -10.236  -1.408  -3.302
  208    HE   ARG  31           HE       ARG  31 -10.706  -1.193  -0.633
  209   1HH1  ARG  31          HH11      ARG  31 -12.544  -0.290  -3.491
  210   2HH1  ARG  31          HH12      ARG  31 -14.061  -0.434  -2.690
  211   1HH2  ARG  31          HH21      ARG  31 -12.728  -1.361   0.399
  212   2HH2  ARG  31          HH22      ARG  31 -14.180  -1.041  -0.488
  213    H    TYR  32           HN       TYR  32  -6.502  -1.624  -0.467
  214    HA   TYR  32           HA       TYR  32  -6.651  -4.419  -1.410
  215   1HB   TYR  32          HB2       TYR  32  -4.773  -3.576   0.252
  216   2HB   TYR  32          HB1       TYR  32  -6.051  -3.686   1.449
  217    HD1  TYR  32           HD1      TYR  32  -4.093  -5.590  -1.030
  218    HD2  TYR  32           HD2      TYR  32  -6.785  -5.833   2.251
  219    HE1  TYR  32           HE1      TYR  32  -3.666  -8.003  -0.872
  220    HE2  TYR  32           HE2      TYR  32  -6.380  -8.249   2.411
  221    HH   TYR  32           HH       TYR  32  -5.402 -10.094   0.301
  222    H    PHE  33           HN       PHE  33  -8.191  -5.760  -0.142
  223    HA   PHE  33           HA       PHE  33 -10.723  -4.720  -0.248
  224   1HB   PHE  33          HB2       PHE  33 -10.083  -7.133  -0.088
  225   2HB   PHE  33          HB1       PHE  33  -9.880  -6.936   1.632
  226    HD1  PHE  33           HD1      PHE  33 -11.786  -6.891   3.088
  227    HD2  PHE  33           HD2      PHE  33 -12.313  -6.898  -1.128
  228    HE1  PHE  33           HE1      PHE  33 -14.177  -7.339   3.403
  229    HE2  PHE  33           HE2      PHE  33 -14.705  -7.364  -0.824
  230    HZ   PHE  33           HZ       PHE  33 -15.641  -7.585   1.441
  231    H    LEU  34           HN       LEU  34  -8.489  -4.564   2.483
  232    HA   LEU  34           HA       LEU  34 -10.599  -3.375   4.150
  233   1HB   LEU  34          HB2       LEU  34  -7.928  -4.462   4.926
  234   2HB   LEU  34          HB1       LEU  34  -9.097  -3.830   6.029
  235    HG   LEU  34           HG       LEU  34  -9.261  -6.139   6.247
  236   1HD1  LEU  34          HD11      LEU  34 -11.425  -5.340   4.306
  237   2HD1  LEU  34          HD12      LEU  34 -11.428  -5.041   6.040
  238   3HD1  LEU  34          HD13      LEU  34 -11.477  -6.693   5.431
  239   1HD2  LEU  34          HD21      LEU  34  -9.387  -6.427   3.266
  240   2HD2  LEU  34          HD22      LEU  34  -9.358  -7.713   4.444
  241   3HD2  LEU  34          HD23      LEU  34  -7.943  -6.689   4.219
  242    H    GLY  35           HN       GLY  35  -8.311  -2.171   2.089
  243   1HA   GLY  35          HA2       GLY  35  -8.642   0.395   2.814
  244   2HA   GLY  35          HA1       GLY  35  -7.345  -0.123   3.840
  245    H    THR  36           HN       THR  36  -5.709   1.039   3.102
  246    HA   THR  36           HA       THR  36  -5.232   1.189   0.214
  247    HB   THR  36           HB       THR  36  -4.054   2.821   2.490
  248    HG1  THR  36           HG1      THR  36  -6.183   3.430   0.665
  249   1HG2  THR  36          HG21      THR  36  -3.947   3.152  -0.514
  250   2HG2  THR  36          HG22      THR  36  -2.590   2.877   0.578
  251   3HG2  THR  36          HG23      THR  36  -3.480   4.393   0.647
  252    H    CYS  37           HN       CYS  37  -3.813  -0.204  -0.590
  253    HA   CYS  37           HA       CYS  37  -1.874  -1.527   1.079
  254   1HB   CYS  37          HB2       CYS  37  -3.065  -2.813  -0.580
  255   2HB   CYS  37          HB1       CYS  37  -2.481  -1.759  -1.844
  256    H    CYS  38           HN       CYS  38  -0.109  -0.397   1.638
  257    HA   CYS  38           HA       CYS  38   1.196   1.289  -0.408
  258   1HB   CYS  38          HB2       CYS  38   1.512   1.238   2.601
  259   2HB   CYS  38          HB1       CYS  38   2.365   2.304   1.501
  260    H    THR  39           HN       THR  39   2.681   0.172  -1.510
  261    HA   THR  39           HA       THR  39   4.281  -1.822  -0.059
  262    HB   THR  39           HB       THR  39   4.485  -2.935  -2.320
  263    HG1  THR  39           HG1      THR  39   2.217  -1.324  -2.967
  264   1HG2  THR  39          HG21      THR  39   3.116  -4.137  -0.993
  265   2HG2  THR  39          HG22      THR  39   1.942  -3.624  -2.189
  266   3HG2  THR  39          HG23      THR  39   2.045  -2.787  -0.640
  267    HA   PRO  40           HA       PRO  40   7.779   0.416  -1.809
  268   1HB   PRO  40          HB2       PRO  40   9.452   0.021   0.310
  269   2HB   PRO  40          HB1       PRO  40   8.283   1.309   0.212
  270   1HG   PRO  40          HG2       PRO  40   8.219  -1.015   1.939
  271   2HG   PRO  40          HG1       PRO  40   7.295   0.488   2.030
  272   1HD   PRO  40          HD2       PRO  40   6.510  -2.066   0.953
  273   2HD   PRO  40          HD1       PRO  40   5.497  -0.673   1.288
  274    H    ALA  41           HN       ALA  41   9.157  -1.935   0.320
  275    HA   ALA  41           HA       ALA  41   9.451  -4.137  -1.341
  276   1HB   ALA  41          HB1       ALA  41  11.829  -3.858  -1.982
  277   2HB   ALA  41          HB2       ALA  41  11.751  -2.190  -1.412
  278   3HB   ALA  41          HB3       ALA  41  10.767  -2.701  -2.780
  279    H    ASP  42           HN       ASP  42   8.906  -3.461   1.395
  280    HA   ASP  42           HA       ASP  42  11.295  -4.511   2.773
  281   1HB   ASP  42          HB2       ASP  42  10.852  -2.190   3.365
  282   2HB   ASP  42          HB1       ASP  42   9.188  -2.590   3.779
  Start of MODEL   20
    1   1H    GLY   1           HT1      GLY   1   3.262  -8.538  10.149
    2   2H    GLY   1           HT2      GLY   1   4.065  -7.198  10.796
    3   3H    GLY   1           HT3      GLY   1   3.952  -7.381   9.120
    4   1HA   GLY   1          HA1       GLY   1   1.689  -6.906  10.981
    5   2HA   GLY   1          HA2       GLY   1   2.408  -5.704   9.917
    6    H    THR   2           HN       THR   2   0.304  -5.429   8.989
    7    HA   THR   2           HA       THR   2  -0.922  -7.631   7.563
    8    HB   THR   2           HB       THR   2  -2.392  -5.673   6.699
    9    HG1  THR   2           HG1      THR   2  -1.344  -4.218   8.864
   10   1HG2  THR   2          HG21      THR   2  -3.114  -7.204   8.453
   11   2HG2  THR   2          HG22      THR   2  -3.651  -5.554   8.766
   12   3HG2  THR   2          HG23      THR   2  -2.271  -6.212   9.644
   13    H    ALA   3           HN       ALA   3   1.020  -8.132   6.328
   14    HA   ALA   3           HA       ALA   3   2.043  -6.252   4.465
   15   1HB   ALA   3          HB1       ALA   3   3.434  -7.967   5.475
   16   2HB   ALA   3          HB2       ALA   3   3.484  -8.051   3.715
   17   3HB   ALA   3          HB3       ALA   3   2.519  -9.214   4.629
   18    H    CYS   4           HN       CYS   4   1.800  -6.098   2.283
   19    HA   CYS   4           HA       CYS   4   0.063  -8.002   0.879
   20   1HB   CYS   4          HB2       CYS   4  -1.218  -6.188  -0.163
   21   2HB   CYS   4          HB1       CYS   4  -1.436  -6.196   1.579
   22    H    SER   5           HN       SER   5   0.209  -7.620  -1.543
   23    HA   SER   5           HA       SER   5   2.883  -6.555  -2.243
   24   1HB   SER   5          HB2       SER   5   1.670  -9.100  -3.340
   25   2HB   SER   5          HB1       SER   5   3.300  -8.474  -3.608
   26    HG   SER   5           HG       SER   5   3.418 -10.028  -2.019
   27    H    CYS   6           HN       CYS   6   3.079  -5.504  -4.124
   28    HA   CYS   6           HA       CYS   6   0.780  -5.428  -5.979
   29   1HB   CYS   6          HB2       CYS   6   2.571  -3.137  -5.145
   30   2HB   CYS   6          HB1       CYS   6   1.486  -3.080  -6.527
   31    H    GLY   7           HN       GLY   7   1.921  -7.205  -6.997
   32   1HA   GLY   7          HA2       GLY   7   3.169  -8.010  -8.721
   33   2HA   GLY   7          HA1       GLY   7   3.505  -6.348  -9.180
   34    H    ASN   8           HN       ASN   8   5.398  -5.376  -8.508
   35    HA   ASN   8           HA       ASN   8   7.485  -7.235  -7.590
   36   1HB   ASN   8          HB2       ASN   8   7.904  -5.964  -9.643
   37   2HB   ASN   8          HB1       ASN   8   7.681  -4.452  -8.771
   38   1HD2  ASN   8          HD21      ASN   8   9.335  -3.689  -7.452
   39   2HD2  ASN   8          HD22      ASN   8  10.903  -4.414  -7.429
   40    H    SER   9           HN       SER   9   5.684  -4.412  -6.599
   41    HA   SER   9           HA       SER   9   7.504  -3.760  -4.451
   42   1HB   SER   9          HB2       SER   9   4.724  -2.699  -5.031
   43   2HB   SER   9          HB1       SER   9   5.922  -1.989  -3.947
   44    HG   SER   9           HG       SER   9   6.044  -0.920  -5.895
   45    H    LYS  10           HN       LYS  10   7.203  -4.171  -2.291
   46    HA   LYS  10           HA       LYS  10   4.822  -5.711  -1.466
   47   1HB   LYS  10          HB2       LYS  10   7.694  -6.440  -0.925
   48   2HB   LYS  10          HB1       LYS  10   6.328  -7.195  -0.121
   49   1HG   LYS  10          HG2       LYS  10   5.529  -8.128  -2.170
   50   2HG   LYS  10          HG1       LYS  10   6.745  -7.259  -3.107
   51   1HD   LYS  10          HD2       LYS  10   7.337  -9.358  -1.010
   52   2HD   LYS  10          HD1       LYS  10   7.320  -9.635  -2.753
   53   1HE   LYS  10          HE2       LYS  10   9.118  -8.016  -3.045
   54   2HE   LYS  10          HE1       LYS  10   9.136  -7.694  -1.315
   55   1HZ   LYS  10          HZ1       LYS  10   9.764 -10.292  -2.583
   56   2HZ   LYS  10          HZ2       LYS  10   9.767  -9.980  -0.919
   57   3HZ   LYS  10          HZ3       LYS  10  10.879  -9.202  -1.928
   58    H    GLY  11           HN       GLY  11   4.020  -5.096   0.476
   59   1HA   GLY  11          HA2       GLY  11   5.651  -3.831   2.496
   60   2HA   GLY  11          HA1       GLY  11   4.646  -2.711   1.612
   61    H    ILE  12           HN       ILE  12   3.193  -2.093   3.069
   62    HA   ILE  12           HA       ILE  12   1.636  -4.197   4.442
   63    HB   ILE  12           HB       ILE  12   2.413  -1.488   5.554
   64   1HG1  ILE  12          HG12      ILE  12   4.411  -2.867   5.359
   65   2HG1  ILE  12          HG11      ILE  12   3.952  -2.699   7.046
   66   1HG2  ILE  12          HG21      ILE  12   1.078  -3.869   6.833
   67   2HG2  ILE  12          HG22      ILE  12   0.350  -2.303   6.494
   68   3HG2  ILE  12          HG23      ILE  12   1.628  -2.436   7.693
   69   1HD1  ILE  12          HD11      ILE  12   2.704  -5.056   6.165
   70   2HD1  ILE  12          HD12      ILE  12   4.102  -4.890   7.217
   71   3HD1  ILE  12          HD13      ILE  12   4.325  -5.062   5.480
   72    H    TYR  13           HN       TYR  13  -0.585  -3.944   4.477
   73    HA   TYR  13           HA       TYR  13  -1.601  -1.582   3.075
   74   1HB   TYR  13          HB2       TYR  13  -3.478  -2.735   2.405
   75   2HB   TYR  13          HB1       TYR  13  -2.252  -3.955   2.311
   76    HD1  TYR  13           HD1      TYR  13  -2.166  -5.815   3.938
   77    HD2  TYR  13           HD2      TYR  13  -5.304  -2.926   3.976
   78    HE1  TYR  13           HE1      TYR  13  -3.533  -7.315   5.324
   79    HE2  TYR  13           HE2      TYR  13  -6.629  -4.419   5.390
   80    HH   TYR  13           HH       TYR  13  -5.755  -6.640   7.135
   81    H    TRP  14           HN       TRP  14  -2.964  -0.205   3.971
   82    HA   TRP  14           HA       TRP  14  -3.321  -0.371   6.882
   83   1HB   TRP  14          HB2       TRP  14  -3.387   1.935   4.921
   84   2HB   TRP  14          HB1       TRP  14  -3.806   2.076   6.627
   85    HD1  TRP  14           HD1      TRP  14  -0.719   0.767   4.634
   86    HE1  TRP  14           HE1      TRP  14   1.390   1.572   5.877
   87    HE3  TRP  14           HE3      TRP  14  -2.946   3.186   8.516
   88    HZ2  TRP  14           HZ2      TRP  14   2.015   3.047   8.205
   89    HZ3  TRP  14           HZ3      TRP  14  -1.543   4.283  10.215
   90    HH2  TRP  14           HH2      TRP  14   0.894   4.209  10.057
   91    H    PHE  15           HN       PHE  15  -5.355   0.299   7.773
   92    HA   PHE  15           HA       PHE  15  -7.576  -0.657   6.145
   93   1HB   PHE  15          HB2       PHE  15  -7.398   0.060   9.070
   94   2HB   PHE  15          HB1       PHE  15  -8.859  -0.524   8.281
   95    HD1  PHE  15           HD1      PHE  15  -5.664  -1.450   9.717
   96    HD2  PHE  15           HD2      PHE  15  -8.927  -2.817   7.353
   97    HE1  PHE  15           HE1      PHE  15  -4.964  -3.775  10.098
   98    HE2  PHE  15           HE2      PHE  15  -8.227  -5.147   7.721
   99    HZ   PHE  15           HZ       PHE  15  -6.247  -5.629   9.103
  100    H    TYR  16           HN       TYR  16  -8.594   0.757   4.930
  101    HA   TYR  16           HA       TYR  16  -9.506   2.624   4.078
  102   1HB   TYR  16          HB2       TYR  16 -10.438   2.665   6.946
  103   2HB   TYR  16          HB1       TYR  16 -11.075   3.770   5.730
  104    HD1  TYR  16           HD1      TYR  16 -11.487   0.579   7.218
  105    HD2  TYR  16           HD2      TYR  16 -11.976   2.678   3.545
  106    HE1  TYR  16           HE1      TYR  16 -13.089  -1.125   6.461
  107    HE2  TYR  16           HE2      TYR  16 -13.576   0.985   2.782
  108    HH   TYR  16           HH       TYR  16 -13.877  -1.785   3.618
  109    H    ARG  17           HN       ARG  17  -7.500   3.677   3.600
  110    HA   ARG  17           HA       ARG  17  -7.137   6.121   5.210
  111   1HB   ARG  17          HB2       ARG  17  -4.928   4.708   3.732
  112   2HB   ARG  17          HB1       ARG  17  -4.790   6.115   4.778
  113   1HG   ARG  17          HG2       ARG  17  -5.623   3.355   5.670
  114   2HG   ARG  17          HG1       ARG  17  -4.015   4.057   5.823
  115   1HD   ARG  17          HD2       ARG  17  -4.700   5.634   7.365
  116   2HD   ARG  17          HD1       ARG  17  -6.403   5.425   7.019
  117    HE   ARG  17           HE       ARG  17  -6.110   3.108   7.968
  118   1HH1  ARG  17          HH11      ARG  17  -4.199   5.848   9.099
  119   2HH1  ARG  17          HH12      ARG  17  -3.993   5.178  10.667
  120   1HH2  ARG  17          HH21      ARG  17  -5.818   2.259  10.042
  121   2HH2  ARG  17          HH22      ARG  17  -4.906   3.147  11.216
  122    HA   PRO  18           HA       PRO  18  -8.554   7.736   1.238
  123   1HB   PRO  18          HB2       PRO  18  -7.911  10.325   2.561
  124   2HB   PRO  18          HB1       PRO  18  -9.414   9.767   1.819
  125   1HG   PRO  18          HG2       PRO  18  -9.160   9.940   4.467
  126   2HG   PRO  18          HG1       PRO  18 -10.082   8.625   3.714
  127   1HD   PRO  18          HD2       PRO  18  -7.323   8.586   4.876
  128   2HD   PRO  18          HD1       PRO  18  -8.627   7.381   4.976
  129    H    SER  19           HN       SER  19  -5.476   8.108   2.730
  130    HA   SER  19           HA       SER  19  -4.247   8.600   0.157
  131   1HB   SER  19          HB2       SER  19  -2.738  10.358   1.258
  132   2HB   SER  19          HB1       SER  19  -4.390  10.857   0.900
  133    HG   SER  19           HG       SER  19  -3.248  10.209   3.396
  134    H    CYS  20           HN       CYS  20  -2.085   7.852   0.083
  135    HA   CYS  20           HA       CYS  20  -1.507   5.808   2.042
  136   1HB   CYS  20          HB2       CYS  20  -1.152   5.301  -0.285
  137   2HB   CYS  20          HB1       CYS  20  -0.002   6.625  -0.430
  138    HA   PRO  21           HA       PRO  21   0.824   8.810   4.442
  139   1HB   PRO  21          HB2       PRO  21   1.591   6.449   6.057
  140   2HB   PRO  21          HB1       PRO  21   0.727   7.916   6.525
  141   1HG   PRO  21          HG2       PRO  21  -0.510   5.541   6.309
  142   2HG   PRO  21          HG1       PRO  21  -1.323   7.066   5.911
  143   1HD   PRO  21          HD2       PRO  21  -0.122   5.021   4.083
  144   2HD   PRO  21          HD1       PRO  21  -1.635   5.935   3.940
  145    H    THR  22           HN       THR  22   2.845   9.513   4.125
  146    HA   THR  22           HA       THR  22   4.765   7.854   2.751
  147    HB   THR  22           HB       THR  22   5.352  10.612   3.871
  148    HG1  THR  22           HG1      THR  22   3.791  10.028   1.535
  149   1HG2  THR  22          HG21      THR  22   7.137   9.381   2.721
  150   2HG2  THR  22          HG22      THR  22   6.634  10.808   1.816
  151   3HG2  THR  22          HG23      THR  22   6.099   9.208   1.305
  152    H    ASP  23           HN       ASP  23   4.424   6.481   4.945
  153    HA   ASP  23           HA       ASP  23   6.133   7.358   7.107
  154   1HB   ASP  23          HB2       ASP  23   3.989   6.216   7.543
  155   2HB   ASP  23          HB1       ASP  23   4.595   4.768   6.753
  156    H    ARG  24           HN       ARG  24   5.995   4.267   5.279
  157    HA   ARG  24           HA       ARG  24   8.843   3.861   5.781
  158   1HB   ARG  24          HB2       ARG  24   6.769   2.150   4.442
  159   2HB   ARG  24          HB1       ARG  24   8.459   1.710   4.511
  160   1HG   ARG  24          HG2       ARG  24   8.214   1.864   7.046
  161   2HG   ARG  24          HG1       ARG  24   6.472   1.862   6.743
  162   1HD   ARG  24          HD2       ARG  24   6.886  -0.205   5.297
  163   2HD   ARG  24          HD1       ARG  24   8.499  -0.223   6.011
  164    HE   ARG  24           HE       ARG  24   6.437  -0.170   7.994
  165   1HH1  ARG  24          HH11      ARG  24   8.256  -2.253   5.829
  166   2HH1  ARG  24          HH12      ARG  24   7.887  -3.682   6.713
  167   1HH2  ARG  24          HH21      ARG  24   5.965  -2.095   9.156
  168   2HH2  ARG  24          HH22      ARG  24   6.592  -3.608   8.592
  169    H    GLY  25           HN       GLY  25   7.706   5.961   3.810
  170   1HA   GLY  25          HA2       GLY  25   8.220   6.770   1.757
  171   2HA   GLY  25          HA1       GLY  25   9.698   5.825   1.883
  172    H    TYR  26           HN       TYR  26   6.526   4.410   2.015
  173    HA   TYR  26           HA       TYR  26   6.708   2.348   0.294
  174   1HB   TYR  26          HB2       TYR  26   4.292   4.160   0.466
  175   2HB   TYR  26          HB1       TYR  26   4.305   2.466  -0.003
  176    HD1  TYR  26           HD1      TYR  26   3.779   4.701   2.649
  177    HD2  TYR  26           HD2      TYR  26   5.204   0.826   1.831
  178    HE1  TYR  26           HE1      TYR  26   3.299   4.047   4.972
  179    HE2  TYR  26           HE2      TYR  26   4.749   0.123   4.139
  180    HH   TYR  26           HH       TYR  26   4.339   2.068   6.595
  181    H    THR  27           HN       THR  27   6.602   1.964  -1.878
  182    HA   THR  27           HA       THR  27   6.946   4.291  -3.626
  183    HB   THR  27           HB       THR  27   7.405   1.359  -4.275
  184    HG1  THR  27           HG1      THR  27   9.271   3.318  -3.318
  185   1HG2  THR  27          HG21      THR  27   8.894   2.313  -6.009
  186   2HG2  THR  27          HG22      THR  27   8.327   3.926  -5.582
  187   3HG2  THR  27          HG23      THR  27   7.202   2.742  -6.251
  188    H    GLY  28           HN       GLY  28   5.109   1.228  -3.518
  189   1HA   GLY  28          HA2       GLY  28   3.330   2.227  -5.638
  190   2HA   GLY  28          HA1       GLY  28   3.431   0.585  -5.027
  191    H    SER  29           HN       SER  29   1.207   2.653  -5.308
  192    HA   SER  29           HA       SER  29   0.111   2.274  -2.583
  193   1HB   SER  29          HB2       SER  29  -0.401   4.641  -4.402
  194   2HB   SER  29          HB1       SER  29  -1.010   4.403  -2.762
  195    HG   SER  29           HG       SER  29   0.907   5.775  -3.005
  196    H    CYS  30           HN       CYS  30  -0.989   0.415  -3.142
  197    HA   CYS  30           HA       CYS  30  -3.016   0.613  -5.298
  198   1HB   CYS  30          HB2       CYS  30  -2.240  -1.898  -3.815
  199   2HB   CYS  30          HB1       CYS  30  -2.989  -1.736  -5.395
  200    H    ARG  31           HN       ARG  31  -5.174  -0.404  -4.730
  201    HA   ARG  31           HA       ARG  31  -5.782   0.100  -1.887
  202   1HB   ARG  31          HB2       ARG  31  -7.332   1.192  -3.467
  203   2HB   ARG  31          HB1       ARG  31  -7.763  -0.389  -4.126
  204   1HG   ARG  31          HG2       ARG  31  -8.342  -0.986  -1.666
  205   2HG   ARG  31          HG1       ARG  31  -8.298   0.739  -1.398
  206   1HD   ARG  31          HD2       ARG  31 -10.082   1.065  -2.905
  207   2HD   ARG  31          HD1       ARG  31 -10.025  -0.604  -3.464
  208    HE   ARG  31           HE       ARG  31 -10.571  -1.150  -1.004
  209   1HH1  ARG  31          HH11      ARG  31 -11.822   1.645  -2.747
  210   2HH1  ARG  31          HH12      ARG  31 -13.252   1.725  -1.799
  211   1HH2  ARG  31          HH21      ARG  31 -12.500  -1.010   0.230
  212   2HH2  ARG  31          HH22      ARG  31 -13.651   0.236  -0.123
  213    H    TYR  32           HN       TYR  32  -6.283  -1.511  -0.564
  214    HA   TYR  32           HA       TYR  32  -6.490  -4.232  -1.698
  215   1HB   TYR  32          HB2       TYR  32  -4.624  -3.603   0.015
  216   2HB   TYR  32          HB1       TYR  32  -5.906  -3.634   1.205
  217    HD1  TYR  32           HD1      TYR  32  -4.158  -5.666  -1.363
  218    HD2  TYR  32           HD2      TYR  32  -6.678  -5.717   2.071
  219    HE1  TYR  32           HE1      TYR  32  -3.900  -8.101  -1.215
  220    HE2  TYR  32           HE2      TYR  32  -6.422  -8.157   2.224
  221    HH   TYR  32           HH       TYR  32  -4.234  -9.850   1.132
  222    H    PHE  33           HN       PHE  33  -8.046  -5.615  -0.445
  223    HA   PHE  33           HA       PHE  33 -10.578  -4.610  -0.630
  224   1HB   PHE  33          HB2       PHE  33  -9.645  -6.838   1.180
  225   2HB   PHE  33          HB1       PHE  33 -11.325  -6.544   0.754
  226    HD1  PHE  33           HD1      PHE  33  -8.132  -7.900  -0.331
  227    HD2  PHE  33           HD2      PHE  33 -12.085  -6.888  -1.568
  228    HE1  PHE  33           HE1      PHE  33  -7.856  -9.278  -2.349
  229    HE2  PHE  33           HE2      PHE  33 -11.808  -8.266  -3.581
  230    HZ   PHE  33           HZ       PHE  33  -9.694  -9.460  -3.976
  231    H    LEU  34           HN       LEU  34  -8.500  -4.511   2.234
  232    HA   LEU  34           HA       LEU  34 -10.706  -3.382   3.805
  233   1HB   LEU  34          HB2       LEU  34  -7.996  -4.302   4.651
  234   2HB   LEU  34          HB1       LEU  34  -9.227  -3.739   5.718
  235    HG   LEU  34           HG       LEU  34  -9.290  -6.055   5.945
  236   1HD1  LEU  34          HD11      LEU  34 -11.451  -6.684   5.160
  237   2HD1  LEU  34          HD12      LEU  34 -11.419  -5.460   3.893
  238   3HD1  LEU  34          HD13      LEU  34 -11.500  -4.977   5.590
  239   1HD2  LEU  34          HD21      LEU  34  -9.393  -6.407   2.971
  240   2HD2  LEU  34          HD22      LEU  34  -9.196  -7.638   4.194
  241   3HD2  LEU  34          HD23      LEU  34  -7.900  -6.486   3.889
  242    H    GLY  35           HN       GLY  35  -8.238  -2.132   1.911
  243   1HA   GLY  35          HA2       GLY  35  -8.717   0.470   2.514
  244   2HA   GLY  35          HA1       GLY  35  -7.506   0.010   3.679
  245    H    THR  36           HN       THR  36  -5.649   0.874   3.075
  246    HA   THR  36           HA       THR  36  -5.072   1.059   0.194
  247    HB   THR  36           HB       THR  36  -3.708   2.666   2.368
  248    HG1  THR  36           HG1      THR  36  -6.224   3.253   1.118
  249   1HG2  THR  36          HG21      THR  36  -2.802   2.768   0.084
  250   2HG2  THR  36          HG22      THR  36  -3.516   4.305   0.571
  251   3HG2  THR  36          HG23      THR  36  -4.393   3.235  -0.523
  252    H    CYS  37           HN       CYS  37  -3.696  -0.421  -0.524
  253    HA   CYS  37           HA       CYS  37  -1.757  -1.681   1.211
  254   1HB   CYS  37          HB2       CYS  37  -2.930  -3.089  -0.324
  255   2HB   CYS  37          HB1       CYS  37  -2.458  -2.090  -1.680
  256    H    CYS  38           HN       CYS  38  -0.170  -0.269   1.731
  257    HA   CYS  38           HA       CYS  38   1.121   1.241  -0.433
  258   1HB   CYS  38          HB2       CYS  38   1.310   1.425   2.576
  259   2HB   CYS  38          HB1       CYS  38   2.270   2.363   1.459
  260    H    THR  39           HN       THR  39   2.762   0.298  -1.411
  261    HA   THR  39           HA       THR  39   4.299  -1.713   0.069
  262    HB   THR  39           HB       THR  39   4.636  -2.735  -2.230
  263    HG1  THR  39           HG1      THR  39   2.387  -1.114  -2.931
  264   1HG2  THR  39          HG21      THR  39   1.765  -2.651  -1.498
  265   2HG2  THR  39          HG22      THR  39   2.907  -3.417  -0.414
  266   3HG2  THR  39          HG23      THR  39   2.709  -4.016  -2.061
  267    HA   PRO  40           HA       PRO  40   7.936   0.542  -1.369
  268   1HB   PRO  40          HB2       PRO  40   9.601  -0.288   0.610
  269   2HB   PRO  40          HB1       PRO  40   8.494   1.058   0.780
  270   1HG   PRO  40          HG2       PRO  40   8.273  -1.656   1.919
  271   2HG   PRO  40          HG1       PRO  40   7.653  -0.115   2.521
  272   1HD   PRO  40          HD2       PRO  40   6.270  -2.091   1.099
  273   2HD   PRO  40          HD1       PRO  40   5.628  -0.567   1.568
  274    H    ALA  41           HN       ALA  41   9.462  -2.110   0.239
  275    HA   ALA  41           HA       ALA  41   9.246  -3.966  -1.931
  276   1HB   ALA  41          HB1       ALA  41  11.904  -2.635  -1.418
  277   2HB   ALA  41          HB2       ALA  41  10.886  -2.390  -2.836
  278   3HB   ALA  41          HB3       ALA  41  11.599  -3.972  -2.530
  279    H    ASP  42           HN       ASP  42   8.797  -3.885   1.004
  280    HA   ASP  42           HA       ASP  42  10.635  -6.070   1.746
  281   1HB   ASP  42          HB2       ASP  42  11.325  -3.913   2.796
  282   2HB   ASP  42          HB1       ASP  42   9.758  -3.839   3.598
  Start of MODEL   21
    1   1H    GLY   1           HT1      GLY   1   1.175  -9.865  10.576
    2   2H    GLY   1           HT2      GLY   1   2.839  -9.989  10.848
    3   3H    GLY   1           HT3      GLY   1   2.173 -10.603   9.421
    4   1HA   GLY   1          HA1       GLY   1   2.277  -7.746  10.218
    5   2HA   GLY   1          HA2       GLY   1   3.307  -8.511   9.014
    6    H    THR   2           HN       THR   2   1.228  -6.313   8.904
    7    HA   THR   2           HA       THR   2  -0.857  -7.433   7.224
    8    HB   THR   2           HB       THR   2  -1.442  -4.905   6.994
    9    HG1  THR   2           HG1      THR   2  -0.391  -3.545   8.374
   10   1HG2  THR   2          HG21      THR   2  -2.650  -6.440   8.459
   11   2HG2  THR   2          HG22      THR   2  -2.457  -4.851   9.199
   12   3HG2  THR   2          HG23      THR   2  -1.440  -6.194   9.720
   13    H    ALA   3           HN       ALA   3   1.136  -8.235   5.902
   14    HA   ALA   3           HA       ALA   3   2.301  -6.293   4.167
   15   1HB   ALA   3          HB1       ALA   3   3.599  -8.166   4.996
   16   2HB   ALA   3          HB2       ALA   3   3.545  -8.155   3.234
   17   3HB   ALA   3          HB3       ALA   3   2.541  -9.288   4.143
   18    H    CYS   4           HN       CYS   4   1.676  -5.751   2.186
   19    HA   CYS   4           HA       CYS   4  -0.249  -7.487   0.760
   20   1HB   CYS   4          HB2       CYS   4  -1.126  -5.416  -0.300
   21   2HB   CYS   4          HB1       CYS   4  -1.431  -5.507   1.426
   22    H    SER   5           HN       SER   5   0.188  -7.826  -1.422
   23    HA   SER   5           HA       SER   5   2.840  -6.844  -2.291
   24   1HB   SER   5          HB2       SER   5   1.560  -9.472  -3.042
   25   2HB   SER   5          HB1       SER   5   3.216  -8.939  -3.350
   26    HG   SER   5           HG       SER   5   2.014  -9.685  -0.912
   27    H    CYS   6           HN       CYS   6   2.939  -5.748  -4.091
   28    HA   CYS   6           HA       CYS   6   0.738  -5.935  -6.060
   29   1HB   CYS   6          HB2       CYS   6   2.516  -3.552  -5.492
   30   2HB   CYS   6          HB1       CYS   6   1.229  -3.637  -6.684
   31    H    GLY   7           HN       GLY   7   1.920  -7.757  -6.928
   32   1HA   GLY   7          HA2       GLY   7   3.272  -8.665  -8.526
   33   2HA   GLY   7          HA1       GLY   7   3.704  -7.038  -9.034
   34    H    ASN   8           HN       ASN   8   5.628  -6.178  -8.384
   35    HA   ASN   8           HA       ASN   8   7.475  -7.986  -6.993
   36   1HB   ASN   8          HB2       ASN   8   8.197  -6.921  -9.098
   37   2HB   ASN   8          HB1       ASN   8   7.991  -5.333  -8.370
   38   1HD2  ASN   8          HD21      ASN   8   9.528  -4.594  -6.885
   39   2HD2  ASN   8          HD22      ASN   8  11.029  -5.414  -6.645
   40    H    SER   9           HN       SER   9   5.650  -5.079  -6.510
   41    HA   SER   9           HA       SER   9   7.274  -4.044  -4.403
   42   1HB   SER   9          HB2       SER   9   4.416  -3.338  -5.103
   43   2HB   SER   9          HB1       SER   9   5.566  -2.352  -4.209
   44    HG   SER   9           HG       SER   9   5.400  -1.734  -6.413
   45    H    LYS  10           HN       LYS  10   7.097  -4.353  -2.241
   46    HA   LYS  10           HA       LYS  10   4.794  -5.904  -1.212
   47   1HB   LYS  10          HB2       LYS  10   7.638  -6.331  -0.283
   48   2HB   LYS  10          HB1       LYS  10   6.207  -7.285   0.093
   49   1HG   LYS  10          HG2       LYS  10   6.111  -8.054  -2.220
   50   2HG   LYS  10          HG1       LYS  10   7.526  -7.069  -2.597
   51   1HD   LYS  10          HD2       LYS  10   8.690  -8.395  -0.710
   52   2HD   LYS  10          HD1       LYS  10   7.326  -9.509  -0.856
   53   1HE   LYS  10          HE2       LYS  10   9.227 -10.253  -2.180
   54   2HE   LYS  10          HE1       LYS  10   7.857  -9.852  -3.215
   55   1HZ   LYS  10          HZ1       LYS  10  10.162  -9.024  -3.876
   56   2HZ   LYS  10          HZ2       LYS  10   9.981  -7.859  -2.666
   57   3HZ   LYS  10          HZ3       LYS  10   8.884  -7.925  -3.956
   58    H    GLY  11           HN       GLY  11   3.856  -4.895   0.471
   59   1HA   GLY  11          HA2       GLY  11   5.492  -3.362   2.337
   60   2HA   GLY  11          HA1       GLY  11   4.412  -2.430   1.337
   61    H    ILE  12           HN       ILE  12   3.231  -1.684   3.061
   62    HA   ILE  12           HA       ILE  12   1.741  -3.709   4.601
   63    HB   ILE  12           HB       ILE  12   2.630  -0.957   5.479
   64   1HG1  ILE  12          HG12      ILE  12   4.552  -2.433   5.275
   65   2HG1  ILE  12          HG11      ILE  12   4.197  -2.152   6.973
   66   1HG2  ILE  12          HG21      ILE  12   1.960  -1.800   7.747
   67   2HG2  ILE  12          HG22      ILE  12   1.206  -3.162   6.928
   68   3HG2  ILE  12          HG23      ILE  12   0.627  -1.529   6.628
   69   1HD1  ILE  12          HD11      ILE  12   3.049  -4.357   7.035
   70   2HD1  ILE  12          HD12      ILE  12   4.767  -4.446   6.661
   71   3HD1  ILE  12          HD13      ILE  12   3.580  -4.628   5.378
   72    H    TYR  13           HN       TYR  13  -0.454  -3.587   4.578
   73    HA   TYR  13           HA       TYR  13  -1.615  -1.268   3.211
   74   1HB   TYR  13          HB2       TYR  13  -3.468  -2.518   2.660
   75   2HB   TYR  13          HB1       TYR  13  -2.190  -3.705   2.561
   76    HD1  TYR  13           HD1      TYR  13  -5.264  -2.768   4.209
   77    HD2  TYR  13           HD2      TYR  13  -1.910  -5.391   4.396
   78    HE1  TYR  13           HE1      TYR  13  -6.475  -4.217   5.774
   79    HE2  TYR  13           HE2      TYR  13  -3.134  -6.852   5.941
   80    HH   TYR  13           HH       TYR  13  -5.314  -6.250   7.715
   81    H    TRP  14           HN       TRP  14  -3.011   0.083   4.135
   82    HA   TRP  14           HA       TRP  14  -3.292  -0.080   7.070
   83   1HB   TRP  14          HB2       TRP  14  -3.353   2.280   5.169
   84   2HB   TRP  14          HB1       TRP  14  -3.679   2.376   6.897
   85    HD1  TRP  14           HD1      TRP  14  -0.745   0.981   4.735
   86    HE1  TRP  14           HE1      TRP  14   1.455   1.708   5.857
   87    HE3  TRP  14           HE3      TRP  14  -2.673   3.521   8.732
   88    HZ2  TRP  14           HZ2      TRP  14   2.264   3.177   8.129
   89    HZ3  TRP  14           HZ3      TRP  14  -1.118   4.567  10.328
   90    HH2  TRP  14           HH2      TRP  14   1.299   4.393  10.030
   91    H    PHE  15           HN       PHE  15  -5.344   0.359   7.980
   92    HA   PHE  15           HA       PHE  15  -7.451  -0.637   6.323
   93   1HB   PHE  15          HB2       PHE  15  -7.291   0.171   9.206
   94   2HB   PHE  15          HB1       PHE  15  -8.840  -0.223   8.469
   95    HD1  PHE  15           HD1      PHE  15  -5.493  -1.570   9.299
   96    HD2  PHE  15           HD2      PHE  15  -9.468  -2.457   8.043
   97    HE1  PHE  15           HE1      PHE  15  -5.078  -3.964   9.673
   98    HE2  PHE  15           HE2      PHE  15  -9.058  -4.848   8.420
   99    HZ   PHE  15           HZ       PHE  15  -6.861  -5.608   9.234
  100    H    TYR  16           HN       TYR  16  -7.910   0.825   4.786
  101    HA   TYR  16           HA       TYR  16  -8.921   2.490   3.701
  102   1HB   TYR  16          HB2       TYR  16 -10.448   2.686   6.305
  103   2HB   TYR  16          HB1       TYR  16 -10.952   3.390   4.770
  104    HD1  TYR  16           HD1      TYR  16 -11.367   0.607   6.854
  105    HD2  TYR  16           HD2      TYR  16 -10.984   1.647   2.738
  106    HE1  TYR  16           HE1      TYR  16 -12.443  -1.510   6.220
  107    HE2  TYR  16           HE2      TYR  16 -12.064  -0.463   2.101
  108    HH   TYR  16           HH       TYR  16 -13.863  -2.179   3.692
  109    H    ARG  17           HN       ARG  17  -6.833   3.578   3.766
  110    HA   ARG  17           HA       ARG  17  -6.918   6.061   5.345
  111   1HB   ARG  17          HB2       ARG  17  -4.615   4.441   4.326
  112   2HB   ARG  17          HB1       ARG  17  -4.413   6.129   4.776
  113   1HG   ARG  17          HG2       ARG  17  -5.503   4.016   6.635
  114   2HG   ARG  17          HG1       ARG  17  -3.805   4.485   6.537
  115   1HD   ARG  17          HD2       ARG  17  -4.315   6.715   7.162
  116   2HD   ARG  17          HD1       ARG  17  -6.040   6.417   7.118
  117    HE   ARG  17           HE       ARG  17  -5.543   4.729   8.966
  118   1HH1  ARG  17          HH11      ARG  17  -3.662   7.674   8.530
  119   2HH1  ARG  17          HH12      ARG  17  -3.452   7.915  10.216
  120   1HH2  ARG  17          HH21      ARG  17  -5.240   5.078  11.206
  121   2HH2  ARG  17          HH22      ARG  17  -4.335   6.454  11.742
  122    HA   PRO  18           HA       PRO  18  -7.768   7.710   1.209
  123   1HB   PRO  18          HB2       PRO  18  -7.925  10.248   2.736
  124   2HB   PRO  18          HB1       PRO  18  -9.113   9.483   1.677
  125   1HG   PRO  18          HG2       PRO  18  -9.432   9.540   4.331
  126   2HG   PRO  18          HG1       PRO  18  -9.953   8.149   3.361
  127   1HD   PRO  18          HD2       PRO  18  -7.502   8.467   5.055
  128   2HD   PRO  18          HD1       PRO  18  -8.593   7.074   4.873
  129    H    SER  19           HN       SER  19  -5.260   8.354   3.460
  130    HA   SER  19           HA       SER  19  -3.706   9.774   1.413
  131   1HB   SER  19          HB2       SER  19  -3.657  10.310   4.396
  132   2HB   SER  19          HB1       SER  19  -2.766  11.174   3.140
  133    HG   SER  19           HG       SER  19  -4.665  12.281   3.771
  134    H    CYS  20           HN       CYS  20  -1.944   8.667   0.892
  135    HA   CYS  20           HA       CYS  20  -0.945   6.631   2.747
  136   1HB   CYS  20          HB2       CYS  20  -1.493   5.838   0.526
  137   2HB   CYS  20          HB1       CYS  20  -0.394   7.013  -0.188
  138    HA   PRO  21           HA       PRO  21   2.375   9.547   3.608
  139   1HB   PRO  21          HB2       PRO  21   3.607   7.347   5.131
  140   2HB   PRO  21          HB1       PRO  21   2.967   8.889   5.686
  141   1HG   PRO  21          HG2       PRO  21   1.774   6.520   6.200
  142   2HG   PRO  21          HG1       PRO  21   0.880   8.043   6.047
  143   1HD   PRO  21          HD2       PRO  21   1.208   5.826   4.063
  144   2HD   PRO  21          HD1       PRO  21  -0.220   6.803   4.469
  145    H    THR  22           HN       THR  22   3.084   9.415   1.365
  146    HA   THR  22           HA       THR  22   4.725   7.231   0.502
  147    HB   THR  22           HB       THR  22   3.336   8.558  -1.076
  148    HG1  THR  22           HG1      THR  22   6.122   8.756  -1.711
  149   1HG2  THR  22          HG21      THR  22   3.946  10.766  -1.743
  150   2HG2  THR  22          HG22      THR  22   5.358  10.760  -0.696
  151   3HG2  THR  22          HG23      THR  22   3.741  10.775   0.003
  152    H    ASP  23           HN       ASP  23   5.262   9.996   2.352
  153    HA   ASP  23           HA       ASP  23   8.038  10.422   1.745
  154   1HB   ASP  23          HB2       ASP  23   6.683  12.262   2.552
  155   2HB   ASP  23          HB1       ASP  23   6.210  11.349   3.977
  156    H    ARG  24           HN       ARG  24   6.261   8.096   3.406
  157    HA   ARG  24           HA       ARG  24   8.139   7.468   5.484
  158   1HB   ARG  24          HB2       ARG  24   5.703   7.032   5.670
  159   2HB   ARG  24          HB1       ARG  24   5.819   5.911   4.332
  160   1HG   ARG  24          HG2       ARG  24   5.732   4.623   6.264
  161   2HG   ARG  24          HG1       ARG  24   7.394   4.536   5.719
  162   1HD   ARG  24          HD2       ARG  24   8.094   6.087   7.379
  163   2HD   ARG  24          HD1       ARG  24   6.425   6.475   7.815
  164    HE   ARG  24           HE       ARG  24   6.622   3.783   8.237
  165   1HH1  ARG  24          HH11      ARG  24   8.310   6.616   9.440
  166   2HH1  ARG  24          HH12      ARG  24   8.747   5.855  10.923
  167   1HH2  ARG  24          HH21      ARG  24   7.197   2.800  10.197
  168   2HH2  ARG  24          HH22      ARG  24   8.117   3.690  11.365
  169    H    GLY  25           HN       GLY  25   8.017   7.011   2.119
  170   1HA   GLY  25          HA2       GLY  25   9.904   6.166   1.012
  171   2HA   GLY  25          HA1       GLY  25  10.164   5.011   2.304
  172    H    TYR  26           HN       TYR  26   7.012   5.639   0.799
  173    HA   TYR  26           HA       TYR  26   6.921   2.825   0.013
  174   1HB   TYR  26          HB2       TYR  26   4.776   4.959  -0.019
  175   2HB   TYR  26          HB1       TYR  26   4.530   3.271  -0.458
  176    HD1  TYR  26           HD1      TYR  26   5.820   1.721   1.555
  177    HD2  TYR  26           HD2      TYR  26   3.727   5.378   1.993
  178    HE1  TYR  26           HE1      TYR  26   5.345   1.149   3.894
  179    HE2  TYR  26           HE2      TYR  26   3.253   4.837   4.341
  180    HH   TYR  26           HH       TYR  26   4.810   2.688   6.092
  181    H    THR  27           HN       THR  27   6.834   2.127  -2.045
  182    HA   THR  27           HA       THR  27   7.749   3.991  -4.068
  183    HB   THR  27           HB       THR  27   7.463   0.968  -4.260
  184    HG1  THR  27           HG1      THR  27   9.719   2.548  -3.448
  185   1HG2  THR  27          HG21      THR  27   9.218   1.211  -5.980
  186   2HG2  THR  27          HG22      THR  27   9.099   2.964  -5.837
  187   3HG2  THR  27          HG23      THR  27   7.723   2.031  -6.428
  188    H    GLY  28           HN       GLY  28   4.920   2.103  -3.295
  189   1HA   GLY  28          HA2       GLY  28   3.434   3.516  -5.349
  190   2HA   GLY  28          HA1       GLY  28   3.525   1.769  -5.549
  191    H    SER  29           HN       SER  29   1.119   3.075  -5.213
  192    HA   SER  29           HA       SER  29   0.301   1.977  -2.611
  193   1HB   SER  29          HB2       SER  29   0.296   4.456  -2.533
  194   2HB   SER  29          HB1       SER  29  -0.854   4.472  -3.868
  195    HG   SER  29           HG       SER  29  -1.842   4.616  -1.774
  196    H    CYS  30           HN       CYS  30  -1.170   0.432  -2.827
  197    HA   CYS  30           HA       CYS  30  -2.774   0.295  -5.322
  198   1HB   CYS  30          HB2       CYS  30  -1.978  -2.020  -3.541
  199   2HB   CYS  30          HB1       CYS  30  -2.729  -2.089  -5.126
  200    H    ARG  31           HN       ARG  31  -4.954  -0.553  -5.045
  201    HA   ARG  31           HA       ARG  31  -6.090   0.244  -2.467
  202   1HB   ARG  31          HB2       ARG  31  -7.177   0.927  -4.606
  203   2HB   ARG  31          HB1       ARG  31  -7.543  -0.760  -4.936
  204   1HG   ARG  31          HG2       ARG  31  -8.447   0.537  -2.371
  205   2HG   ARG  31          HG1       ARG  31  -9.343   0.775  -3.869
  206   1HD   ARG  31          HD2       ARG  31  -9.925  -1.475  -4.031
  207   2HD   ARG  31          HD1       ARG  31  -8.670  -2.000  -2.953
  208    HE   ARG  31           HE       ARG  31  -9.944  -1.461  -1.119
  209   1HH1  ARG  31          HH11      ARG  31 -11.574  -0.442  -4.060
  210   2HH1  ARG  31          HH12      ARG  31 -13.070  -0.166  -3.258
  211   1HH2  ARG  31          HH21      ARG  31 -11.947  -1.078  -0.087
  212   2HH2  ARG  31          HH22      ARG  31 -13.293  -0.513  -1.021
  213    H    TYR  32           HN       TYR  32  -6.620  -1.179  -0.926
  214    HA   TYR  32           HA       TYR  32  -6.631  -4.050  -1.649
  215   1HB   TYR  32          HB2       TYR  32  -4.760  -3.132  -0.111
  216   2HB   TYR  32          HB1       TYR  32  -6.015  -2.965   1.109
  217    HD1  TYR  32           HD1      TYR  32  -3.994  -5.308  -0.841
  218    HD2  TYR  32           HD2      TYR  32  -7.020  -4.958   2.111
  219    HE1  TYR  32           HE1      TYR  32  -3.715  -7.679  -0.271
  220    HE2  TYR  32           HE2      TYR  32  -6.753  -7.329   2.665
  221    HH   TYR  32           HH       TYR  32  -5.655  -9.503   0.988
  222    H    PHE  33           HN       PHE  33  -8.248  -5.349  -0.639
  223    HA   PHE  33           HA       PHE  33 -10.766  -4.223  -0.563
  224   1HB   PHE  33          HB2       PHE  33 -10.224  -6.661  -0.745
  225   2HB   PHE  33          HB1       PHE  33  -9.940  -6.695   0.983
  226    HD1  PHE  33           HD1      PHE  33 -11.749  -6.953   2.487
  227    HD2  PHE  33           HD2      PHE  33 -12.513  -6.021  -1.600
  228    HE1  PHE  33           HE1      PHE  33 -14.145  -7.353   2.848
  229    HE2  PHE  33           HE2      PHE  33 -14.911  -6.429  -1.242
  230    HZ   PHE  33           HZ       PHE  33 -15.730  -7.096   0.981
  231    H    LEU  34           HN       LEU  34  -8.551  -4.701   2.145
  232    HA   LEU  34           HA       LEU  34 -10.487  -3.618   4.012
  233   1HB   LEU  34          HB2       LEU  34  -7.783  -4.845   4.418
  234   2HB   LEU  34          HB1       LEU  34  -8.749  -4.212   5.735
  235    HG   LEU  34           HG       LEU  34  -9.185  -6.472   5.853
  236   1HD1  LEU  34          HD11      LEU  34 -11.443  -6.805   5.180
  237   2HD1  LEU  34          HD12      LEU  34 -11.334  -5.557   3.948
  238   3HD1  LEU  34          HD13      LEU  34 -11.259  -5.120   5.654
  239   1HD2  LEU  34          HD21      LEU  34  -9.193  -6.564   2.842
  240   2HD2  LEU  34          HD22      LEU  34  -9.610  -7.914   3.875
  241   3HD2  LEU  34          HD23      LEU  34  -8.001  -7.224   3.941
  242    H    GLY  35           HN       GLY  35  -8.295  -2.223   1.978
  243   1HA   GLY  35          HA2       GLY  35  -8.678   0.275   2.849
  244   2HA   GLY  35          HA1       GLY  35  -7.347  -0.264   3.841
  245    H    THR  36           HN       THR  36  -5.710   0.936   3.154
  246    HA   THR  36           HA       THR  36  -5.229   1.090   0.250
  247    HB   THR  36           HB       THR  36  -4.155   2.948   2.398
  248    HG1  THR  36           HG1      THR  36  -6.514   3.241   0.794
  249   1HG2  THR  36          HG21      THR  36  -2.928   3.005   0.298
  250   2HG2  THR  36          HG22      THR  36  -3.878   4.476   0.493
  251   3HG2  THR  36          HG23      THR  36  -4.433   3.210  -0.600
  252    H    CYS  37           HN       CYS  37  -3.598  -0.097  -0.474
  253    HA   CYS  37           HA       CYS  37  -1.640  -1.186   1.359
  254   1HB   CYS  37          HB2       CYS  37  -2.529  -2.709  -0.238
  255   2HB   CYS  37          HB1       CYS  37  -2.162  -1.617  -1.561
  256    H    CYS  38           HN       CYS  38  -0.091   0.217   1.954
  257    HA   CYS  38           HA       CYS  38   1.162   1.911  -0.109
  258   1HB   CYS  38          HB2       CYS  38   1.329   1.937   2.908
  259   2HB   CYS  38          HB1       CYS  38   2.279   2.945   1.854
  260    H    THR  39           HN       THR  39   2.723   0.868  -1.168
  261    HA   THR  39           HA       THR  39   4.398  -0.972   0.357
  262    HB   THR  39           HB       THR  39   2.968  -2.402  -0.734
  263    HG1  THR  39           HG1      THR  39   4.297  -3.470  -2.027
  264   1HG2  THR  39          HG21      THR  39   2.573  -2.131  -3.244
  265   2HG2  THR  39          HG22      THR  39   3.115  -0.476  -3.035
  266   3HG2  THR  39          HG23      THR  39   1.702  -1.059  -2.157
  267    HA   PRO  40           HA       PRO  40   7.786   0.538  -2.129
  268   1HB   PRO  40          HB2       PRO  40   9.701   0.013  -0.231
  269   2HB   PRO  40          HB1       PRO  40   8.733   1.461  -0.302
  270   1HG   PRO  40          HG2       PRO  40   8.617  -0.617   1.678
  271   2HG   PRO  40          HG1       PRO  40   7.764   0.929   1.647
  272   1HD   PRO  40          HD2       PRO  40   6.839  -1.741   0.820
  273   2HD   PRO  40          HD1       PRO  40   5.908  -0.336   1.340
  274    H    ALA  41           HN       ALA  41   9.146  -1.845  -0.029
  275    HA   ALA  41           HA       ALA  41   9.031  -4.122  -1.650
  276   1HB   ALA  41          HB1       ALA  41  11.567  -2.490  -1.857
  277   2HB   ALA  41          HB2       ALA  41  10.425  -2.797  -3.164
  278   3HB   ALA  41          HB3       ALA  41  11.343  -4.131  -2.469
  279    H    ASP  42           HN       ASP  42   8.467  -4.548   0.599
  280    HA   ASP  42           HA       ASP  42  10.478  -4.440   2.641
  281   1HB   ASP  42          HB2       ASP  42   8.034  -4.267   3.072
  282   2HB   ASP  42          HB1       ASP  42   7.846  -5.947   2.588
  Start of MODEL   22
    1   1H    GLY   1           HT1      GLY   1   0.512  -8.836  11.304
    2   2H    GLY   1           HT2      GLY   1   0.326  -7.153  11.379
    3   3H    GLY   1           HT3      GLY   1   1.679  -7.887  12.076
    4   1HA   GLY   1          HA1       GLY   1   2.289  -6.844  10.003
    5   2HA   GLY   1          HA2       GLY   1   2.475  -8.592   9.925
    6    H    THR   2           HN       THR   2   0.491  -5.870   8.968
    7    HA   THR   2           HA       THR   2  -1.223  -7.520   7.295
    8    HB   THR   2           HB       THR   2  -2.139  -5.192   6.642
    9    HG1  THR   2           HG1      THR   2  -1.423  -3.469   7.756
   10   1HG2  THR   2          HG21      THR   2  -2.217  -5.998   9.539
   11   2HG2  THR   2          HG22      THR   2  -3.254  -6.638   8.263
   12   3HG2  THR   2          HG23      THR   2  -3.365  -4.939   8.720
   13    H    ALA   3           HN       ALA   3   0.566  -8.363   6.034
   14    HA   ALA   3           HA       ALA   3   2.098  -6.598   4.377
   15   1HB   ALA   3          HB1       ALA   3   3.057  -8.628   3.448
   16   2HB   ALA   3          HB2       ALA   3   1.821  -9.599   4.253
   17   3HB   ALA   3          HB3       ALA   3   3.002  -8.705   5.209
   18    H    CYS   4           HN       CYS   4   2.075  -6.457   2.125
   19    HA   CYS   4           HA       CYS   4  -0.152  -7.606   0.630
   20   1HB   CYS   4          HB2       CYS   4  -1.071  -5.514   1.526
   21   2HB   CYS   4          HB1       CYS   4   0.265  -4.605   0.829
   22    H    SER   5           HN       SER   5   0.237  -7.643  -1.612
   23    HA   SER   5           HA       SER   5   2.944  -6.755  -2.407
   24   1HB   SER   5          HB2       SER   5   1.577  -9.287  -3.320
   25   2HB   SER   5          HB1       SER   5   3.210  -8.745  -3.716
   26    HG   SER   5           HG       SER   5   3.330 -10.232  -2.054
   27    H    CYS   6           HN       CYS   6   2.955  -5.430  -4.019
   28    HA   CYS   6           HA       CYS   6   0.787  -5.472  -6.032
   29   1HB   CYS   6          HB2       CYS   6   2.550  -3.175  -5.160
   30   2HB   CYS   6          HB1       CYS   6   1.420  -3.119  -6.502
   31    H    GLY   7           HN       GLY   7   2.124  -7.306  -6.841
   32   1HA   GLY   7          HA2       GLY   7   3.582  -8.142  -8.381
   33   2HA   GLY   7          HA1       GLY   7   3.840  -6.502  -8.959
   34    H    ASN   8           HN       ASN   8   5.801  -5.662  -8.630
   35    HA   ASN   8           HA       ASN   8   7.749  -7.149  -7.074
   36   1HB   ASN   8          HB2       ASN   8   8.283  -6.112  -9.278
   37   2HB   ASN   8          HB1       ASN   8   8.064  -4.521  -8.556
   38   1HD2  ASN   8          HD21      ASN   8  10.211  -3.953  -9.014
   39   2HD2  ASN   8          HD22      ASN   8  11.526  -4.613  -8.111
   40    H    SER   9           HN       SER   9   5.676  -4.403  -6.647
   41    HA   SER   9           HA       SER   9   7.229  -3.257  -4.495
   42   1HB   SER   9          HB2       SER   9   4.401  -2.604  -5.336
   43   2HB   SER   9          HB1       SER   9   5.491  -1.606  -4.390
   44    HG   SER   9           HG       SER   9   6.732  -1.268  -6.190
   45    H    LYS  10           HN       LYS  10   7.310  -4.482  -2.656
   46    HA   LYS  10           HA       LYS  10   4.746  -5.571  -1.642
   47   1HB   LYS  10          HB2       LYS  10   7.559  -6.613  -1.301
   48   2HB   LYS  10          HB1       LYS  10   6.166  -7.223  -0.410
   49   1HG   LYS  10          HG2       LYS  10   5.108  -7.870  -2.526
   50   2HG   LYS  10          HG1       LYS  10   6.530  -7.294  -3.402
   51   1HD   LYS  10          HD2       LYS  10   7.925  -8.934  -2.301
   52   2HD   LYS  10          HD1       LYS  10   6.569  -9.466  -1.302
   53   1HE   LYS  10          HE2       LYS  10   6.951 -11.006  -3.145
   54   2HE   LYS  10          HE1       LYS  10   5.383 -10.218  -3.301
   55   1HZ   LYS  10          HZ1       LYS  10   6.243  -8.792  -4.989
   56   2HZ   LYS  10          HZ2       LYS  10   6.668 -10.374  -5.396
   57   3HZ   LYS  10          HZ3       LYS  10   7.830  -9.334  -4.745
   58    H    GLY  11           HN       GLY  11   4.108  -5.055   0.372
   59   1HA   GLY  11          HA2       GLY  11   5.846  -4.024   2.389
   60   2HA   GLY  11          HA1       GLY  11   5.008  -2.734   1.562
   61    H    ILE  12           HN       ILE  12   3.607  -2.028   3.077
   62    HA   ILE  12           HA       ILE  12   1.903  -4.055   4.399
   63    HB   ILE  12           HB       ILE  12   2.881  -1.398   5.472
   64   1HG1  ILE  12          HG12      ILE  12   4.677  -3.062   5.380
   65   2HG1  ILE  12          HG11      ILE  12   4.212  -2.738   7.044
   66   1HG2  ILE  12          HG21      ILE  12   1.912  -2.223   7.623
   67   2HG2  ILE  12          HG22      ILE  12   1.147  -3.524   6.720
   68   3HG2  ILE  12          HG23      ILE  12   0.720  -1.849   6.386
   69   1HD1  ILE  12          HD11      ILE  12   2.876  -4.820   7.032
   70   2HD1  ILE  12          HD12      ILE  12   4.592  -5.082   6.748
   71   3HD1  ILE  12          HD13      ILE  12   3.461  -5.147   5.402
   72    H    TYR  13           HN       TYR  13  -0.283  -3.803   4.312
   73    HA   TYR  13           HA       TYR  13  -1.234  -1.389   2.940
   74   1HB   TYR  13          HB2       TYR  13  -3.091  -2.521   2.202
   75   2HB   TYR  13          HB1       TYR  13  -1.860  -3.757   2.179
   76    HD1  TYR  13           HD1      TYR  13  -1.894  -5.617   3.791
   77    HD2  TYR  13           HD2      TYR  13  -4.968  -2.664   3.718
   78    HE1  TYR  13           HE1      TYR  13  -3.344  -7.094   5.115
   79    HE2  TYR  13           HE2      TYR  13  -6.384  -4.125   5.063
   80    HH   TYR  13           HH       TYR  13  -5.695  -6.316   6.832
   81    H    TRP  14           HN       TRP  14  -2.542   0.026   3.833
   82    HA   TRP  14           HA       TRP  14  -2.987  -0.172   6.735
   83   1HB   TRP  14          HB2       TRP  14  -3.132   2.216   4.859
   84   2HB   TRP  14          HB1       TRP  14  -3.327   2.265   6.609
   85    HD1  TRP  14           HD1      TRP  14  -0.500   0.538   4.553
   86    HE1  TRP  14           HE1      TRP  14   1.748   1.454   5.354
   87    HE3  TRP  14           HE3      TRP  14  -2.188   4.059   7.873
   88    HZ2  TRP  14           HZ2      TRP  14   2.699   3.423   7.126
   89    HZ3  TRP  14           HZ3      TRP  14  -0.528   5.427   9.067
   90    HH2  TRP  14           HH2      TRP  14   1.864   5.112   8.701
   91    H    PHE  15           HN       PHE  15  -5.107   0.579   7.524
   92    HA   PHE  15           HA       PHE  15  -7.238  -0.403   5.811
   93   1HB   PHE  15          HB2       PHE  15  -7.355   0.689   8.628
   94   2HB   PHE  15          HB1       PHE  15  -8.678  -0.097   7.778
   95    HD1  PHE  15           HD1      PHE  15  -8.098  -2.459   6.785
   96    HD2  PHE  15           HD2      PHE  15  -6.089  -0.634  10.056
   97    HE1  PHE  15           HE1      PHE  15  -7.361  -4.676   7.551
   98    HE2  PHE  15           HE2      PHE  15  -5.342  -2.845  10.828
   99    HZ   PHE  15           HZ       PHE  15  -5.976  -4.868   9.577
  100    H    TYR  16           HN       TYR  16  -9.327   1.363   6.749
  101    HA   TYR  16           HA       TYR  16  -9.221   3.271   4.736
  102   1HB   TYR  16          HB2       TYR  16 -11.018   2.786   7.073
  103   2HB   TYR  16          HB1       TYR  16 -11.181   4.309   6.202
  104    HD1  TYR  16           HD1      TYR  16 -12.019   4.382   3.952
  105    HD2  TYR  16           HD2      TYR  16 -11.498   0.641   5.927
  106    HE1  TYR  16           HE1      TYR  16 -13.329   3.279   2.196
  107    HE2  TYR  16           HE2      TYR  16 -12.813  -0.467   4.170
  108    HH   TYR  16           HH       TYR  16 -14.809   0.729   2.323
  109    H    ARG  17           HN       ARG  17  -7.354   4.413   4.845
  110    HA   ARG  17           HA       ARG  17  -7.529   6.826   6.452
  111   1HB   ARG  17          HB2       ARG  17  -5.052   5.103   6.395
  112   2HB   ARG  17          HB1       ARG  17  -5.057   6.790   6.903
  113   1HG   ARG  17          HG2       ARG  17  -6.638   6.212   8.703
  114   2HG   ARG  17          HG1       ARG  17  -6.543   4.520   8.215
  115   1HD   ARG  17          HD2       ARG  17  -5.074   4.872  10.074
  116   2HD   ARG  17          HD1       ARG  17  -4.126   4.561   8.643
  117    HE   ARG  17           HE       ARG  17  -3.496   6.838   8.533
  118   1HH1  ARG  17          HH11      ARG  17  -5.335   6.049  11.439
  119   2HH1  ARG  17          HH12      ARG  17  -4.757   7.415  12.304
  120   1HH2  ARG  17          HH21      ARG  17  -2.768   8.661   9.720
  121   2HH2  ARG  17          HH22      ARG  17  -3.316   8.900  11.346
  122    HA   PRO  18           HA       PRO  18  -7.035   7.532   1.991
  123   1HB   PRO  18          HB2       PRO  18  -7.587  10.238   2.100
  124   2HB   PRO  18          HB1       PRO  18  -8.798   8.957   2.026
  125   1HG   PRO  18          HG2       PRO  18  -7.773  10.443   4.408
  126   2HG   PRO  18          HG1       PRO  18  -9.439  10.000   3.992
  127   1HD   PRO  18          HD2       PRO  18  -8.035   8.628   5.795
  128   2HD   PRO  18          HD1       PRO  18  -9.165   7.809   4.695
  129    H    SER  19           HN       SER  19  -5.196   8.927   4.584
  130    HA   SER  19           HA       SER  19  -3.277  10.043   2.648
  131   1HB   SER  19          HB2       SER  19  -3.696  10.784   5.549
  132   2HB   SER  19          HB1       SER  19  -2.568  11.540   4.418
  133    HG   SER  19           HG       SER  19  -4.429  12.773   4.476
  134    H    CYS  20           HN       CYS  20  -2.177   8.115   2.287
  135    HA   CYS  20           HA       CYS  20  -0.826   6.852   4.530
  136   1HB   CYS  20          HB2       CYS  20  -1.611   5.373   2.794
  137   2HB   CYS  20          HB1       CYS  20  -0.724   6.274   1.571
  138    HA   PRO  21           HA       PRO  21   2.660   9.616   3.962
  139   1HB   PRO  21          HB2       PRO  21   4.250   7.763   5.577
  140   2HB   PRO  21          HB1       PRO  21   3.664   9.367   5.972
  141   1HG   PRO  21          HG2       PRO  21   2.727   7.109   7.145
  142   2HG   PRO  21          HG1       PRO  21   1.752   8.575   6.934
  143   1HD   PRO  21          HD2       PRO  21   1.769   6.055   5.316
  144   2HD   PRO  21          HD1       PRO  21   0.404   7.043   5.879
  145    H    THR  22           HN       THR  22   2.705   8.896   1.679
  146    HA   THR  22           HA       THR  22   4.174   6.577   0.944
  147    HB   THR  22           HB       THR  22   3.905   7.643  -1.422
  148    HG1  THR  22           HG1      THR  22   2.562   9.367  -1.513
  149   1HG2  THR  22          HG21      THR  22   1.586   6.929  -1.524
  150   2HG2  THR  22          HG22      THR  22   1.493   6.915   0.237
  151   3HG2  THR  22          HG23      THR  22   2.555   5.781  -0.601
  152    H    ASP  23           HN       ASP  23   5.555   9.008   2.323
  153    HA   ASP  23           HA       ASP  23   7.773   9.311   0.429
  154   1HB   ASP  23          HB2       ASP  23   7.164  10.789   3.004
  155   2HB   ASP  23          HB1       ASP  23   8.546  11.089   1.951
  156    H    ARG  24           HN       ARG  24   6.995   6.911   2.112
  157    HA   ARG  24           HA       ARG  24   9.439   6.676   3.734
  158   1HB   ARG  24          HB2       ARG  24   6.816   5.205   3.938
  159   2HB   ARG  24          HB1       ARG  24   8.221   4.927   4.958
  160   1HG   ARG  24          HG2       ARG  24   8.050   7.138   5.884
  161   2HG   ARG  24          HG1       ARG  24   6.725   7.536   4.789
  162   1HD   ARG  24          HD2       ARG  24   5.858   6.988   6.978
  163   2HD   ARG  24          HD1       ARG  24   5.355   5.799   5.800
  164    HE   ARG  24           HE       ARG  24   6.919   4.242   6.677
  165   1HH1  ARG  24          HH11      ARG  24   6.613   7.173   8.597
  166   2HH1  ARG  24          HH12      ARG  24   7.181   6.417  10.030
  167   1HH2  ARG  24          HH21      ARG  24   7.680   3.272   8.585
  168   2HH2  ARG  24          HH22      ARG  24   7.797   4.210  10.037
  169    H    GLY  25           HN       GLY  25   9.480   6.315   0.901
  170   1HA   GLY  25          HA2       GLY  25  10.717   4.851  -0.372
  171   2HA   GLY  25          HA1       GLY  25  10.559   3.620   0.871
  172    H    TYR  26           HN       TYR  26   7.510   4.379   0.729
  173    HA   TYR  26           HA       TYR  26   6.612   2.156  -0.545
  174   1HB   TYR  26          HB2       TYR  26   5.146   4.781  -0.269
  175   2HB   TYR  26          HB1       TYR  26   4.392   3.230  -0.626
  176    HD1  TYR  26           HD1      TYR  26   4.259   5.336   1.825
  177    HD2  TYR  26           HD2      TYR  26   5.786   1.463   1.270
  178    HE1  TYR  26           HE1      TYR  26   3.986   4.923   4.210
  179    HE2  TYR  26           HE2      TYR  26   5.545   0.996   3.668
  180    HH   TYR  26           HH       TYR  26   5.428   2.828   5.882
  181    H    THR  27           HN       THR  27   6.631   1.522  -2.584
  182    HA   THR  27           HA       THR  27   7.107   3.469  -4.694
  183    HB   THR  27           HB       THR  27   7.147   0.437  -4.895
  184    HG1  THR  27           HG1      THR  27   9.303   2.234  -4.300
  185   1HG2  THR  27          HG21      THR  27   8.629   0.881  -6.808
  186   2HG2  THR  27          HG22      THR  27   8.390   2.614  -6.589
  187   3HG2  THR  27          HG23      THR  27   7.031   1.586  -7.045
  188    H    GLY  28           HN       GLY  28   4.694   1.164  -3.588
  189   1HA   GLY  28          HA2       GLY  28   2.914   2.104  -5.763
  190   2HA   GLY  28          HA1       GLY  28   2.972   0.432  -5.235
  191    H    SER  29           HN       SER  29   0.813   2.473  -5.262
  192    HA   SER  29           HA       SER  29  -0.056   2.042  -2.482
  193   1HB   SER  29          HB2       SER  29   0.548   4.463  -2.982
  194   2HB   SER  29          HB1       SER  29  -0.842   4.483  -4.062
  195    HG   SER  29           HG       SER  29  -0.765   4.150  -1.260
  196    H    CYS  30           HN       CYS  30  -1.147   0.234  -3.081
  197    HA   CYS  30           HA       CYS  30  -3.098   0.386  -5.286
  198   1HB   CYS  30          HB2       CYS  30  -2.275  -2.075  -3.746
  199   2HB   CYS  30          HB1       CYS  30  -2.983  -1.967  -5.347
  200    H    ARG  31           HN       ARG  31  -5.232  -0.614  -4.963
  201    HA   ARG  31           HA       ARG  31  -6.299  -0.002  -2.312
  202   1HB   ARG  31          HB2       ARG  31  -7.643   0.750  -4.157
  203   2HB   ARG  31          HB1       ARG  31  -7.632  -0.848  -4.887
  204   1HG   ARG  31          HG2       ARG  31  -9.766  -0.414  -3.846
  205   2HG   ARG  31          HG1       ARG  31  -8.954  -1.721  -2.996
  206   1HD   ARG  31          HD2       ARG  31  -8.151   0.085  -1.368
  207   2HD   ARG  31          HD1       ARG  31  -9.292   1.135  -2.174
  208    HE   ARG  31           HE       ARG  31 -10.300  -1.391  -1.096
  209   1HH1  ARG  31          HH11      ARG  31  -9.971   2.088  -0.663
  210   2HH1  ARG  31          HH12      ARG  31 -11.266   2.170   0.464
  211   1HH2  ARG  31          HH21      ARG  31 -11.992  -1.256   0.393
  212   2HH2  ARG  31          HH22      ARG  31 -12.442   0.276   1.027
  213    H    TYR  32           HN       TYR  32  -6.774  -1.502  -0.821
  214    HA   TYR  32           HA       TYR  32  -6.746  -4.346  -1.624
  215   1HB   TYR  32          HB2       TYR  32  -4.901  -3.377  -0.007
  216   2HB   TYR  32          HB1       TYR  32  -6.146  -3.488   1.196
  217    HD1  TYR  32           HD1      TYR  32  -6.894  -5.644   2.026
  218    HD2  TYR  32           HD2      TYR  32  -4.079  -5.440  -1.141
  219    HE1  TYR  32           HE1      TYR  32  -6.399  -8.029   2.312
  220    HE2  TYR  32           HE2      TYR  32  -3.529  -7.798  -0.837
  221    HH   TYR  32           HH       TYR  32  -5.230  -9.917   0.360
  222    H    PHE  33           HN       PHE  33  -8.200  -5.677  -0.304
  223    HA   PHE  33           HA       PHE  33 -10.777  -4.712  -0.373
  224   1HB   PHE  33          HB2       PHE  33  -9.770  -6.944   1.395
  225   2HB   PHE  33          HB1       PHE  33 -11.434  -6.701   0.882
  226    HD1  PHE  33           HD1      PHE  33  -8.288  -8.185   0.089
  227    HD2  PHE  33           HD2      PHE  33 -11.925  -6.772  -1.625
  228    HE1  PHE  33           HE1      PHE  33  -7.851  -9.512  -1.931
  229    HE2  PHE  33           HE2      PHE  33 -11.491  -8.103  -3.644
  230    HZ   PHE  33           HZ       PHE  33  -9.453  -9.474  -3.802
  231    H    LEU  34           HN       LEU  34  -8.487  -4.435   2.289
  232    HA   LEU  34           HA       LEU  34 -10.625  -3.341   3.993
  233   1HB   LEU  34          HB2       LEU  34  -7.920  -4.362   4.774
  234   2HB   LEU  34          HB1       LEU  34  -9.125  -3.764   5.862
  235    HG   LEU  34           HG       LEU  34  -9.267  -6.057   6.103
  236   1HD1  LEU  34          HD11      LEU  34 -11.452  -4.950   5.705
  237   2HD1  LEU  34          HD12      LEU  34 -11.429  -6.662   5.294
  238   3HD1  LEU  34          HD13      LEU  34 -11.359  -5.454   4.016
  239   1HD2  LEU  34          HD21      LEU  34  -9.240  -6.389   3.117
  240   2HD2  LEU  34          HD22      LEU  34  -9.269  -7.664   4.315
  241   3HD2  LEU  34          HD23      LEU  34  -7.852  -6.629   4.162
  242    H    GLY  35           HN       GLY  35  -8.212  -2.200   1.973
  243   1HA   GLY  35          HA2       GLY  35  -8.535   0.426   2.680
  244   2HA   GLY  35          HA1       GLY  35  -7.209  -0.127   3.668
  245    H    THR  36           HN       THR  36  -5.398   0.691   2.813
  246    HA   THR  36           HA       THR  36  -5.039   0.520  -0.111
  247    HB   THR  36           HB       THR  36  -4.209   2.787   1.722
  248    HG1  THR  36           HG1      THR  36  -5.868   3.884   0.801
  249   1HG2  THR  36          HG21      THR  36  -2.550   2.625   0.036
  250   2HG2  THR  36          HG22      THR  36  -3.661   3.887  -0.485
  251   3HG2  THR  36          HG23      THR  36  -3.746   2.289  -1.219
  252    H    CYS  37           HN       CYS  37  -3.339  -0.578  -0.713
  253    HA   CYS  37           HA       CYS  37  -1.378  -1.514   1.140
  254   1HB   CYS  37          HB2       CYS  37  -1.768  -1.858  -1.798
  255   2HB   CYS  37          HB1       CYS  37  -0.440  -2.593  -0.923
  256    H    CYS  38           HN       CYS  38   0.155  -0.156   1.816
  257    HA   CYS  38           HA       CYS  38   1.434   1.640  -0.144
  258   1HB   CYS  38          HB2       CYS  38   1.786   1.511   2.863
  259   2HB   CYS  38          HB1       CYS  38   2.415   2.737   1.767
  260    H    THR  39           HN       THR  39   2.723   0.306  -1.291
  261    HA   THR  39           HA       THR  39   4.403  -1.601   0.167
  262    HB   THR  39           HB       THR  39   4.278  -2.936  -1.928
  263    HG1  THR  39           HG1      THR  39   2.152  -1.171  -2.647
  264   1HG2  THR  39          HG21      THR  39   2.807  -3.352   0.028
  265   2HG2  THR  39          HG22      THR  39   2.081  -3.805  -1.511
  266   3HG2  THR  39          HG23      THR  39   1.611  -2.304  -0.719
  267    HA   PRO  40           HA       PRO  40   7.840   0.217  -2.139
  268   1HB   PRO  40          HB2       PRO  40   9.645   0.048  -0.085
  269   2HB   PRO  40          HB1       PRO  40   8.518   1.340  -0.296
  270   1HG   PRO  40          HG2       PRO  40   8.509  -0.654   1.763
  271   2HG   PRO  40          HG1       PRO  40   7.575   0.823   1.653
  272   1HD   PRO  40          HD2       PRO  40   6.831  -1.916   0.960
  273   2HD   PRO  40          HD1       PRO  40   5.779  -0.532   1.265
  274    H    ALA  41           HN       ALA  41   9.298  -1.830   0.207
  275    HA   ALA  41           HA       ALA  41   9.255  -4.293  -1.116
  276   1HB   ALA  41          HB1       ALA  41  11.845  -2.732  -1.320
  277   2HB   ALA  41          HB2       ALA  41  10.804  -3.189  -2.667
  278   3HB   ALA  41          HB3       ALA  41  11.633  -4.435  -1.736
  279    H    ASP  42           HN       ASP  42   8.768  -3.051   1.415
  280    HA   ASP  42           HA       ASP  42  10.573  -4.509   3.195
  281   1HB   ASP  42          HB2       ASP  42  11.614  -2.303   2.900
  282   2HB   ASP  42          HB1       ASP  42  10.093  -1.511   3.291
  Start of MODEL   23
    1   1H    GLY   1           HT1      GLY   1   1.786  -9.408  10.920
    2   2H    GLY   1           HT2      GLY   1   2.976  -8.390  11.558
    3   3H    GLY   1           HT3      GLY   1   3.063  -8.876   9.941
    4   1HA   GLY   1          HA1       GLY   1   0.966  -7.148  11.135
    5   2HA   GLY   1          HA2       GLY   1   2.292  -6.595  10.120
    6    H    THR   2           HN       THR   2  -0.006  -5.843   9.174
    7    HA   THR   2           HA       THR   2  -1.201  -7.856   7.454
    8    HB   THR   2           HB       THR   2  -2.496  -5.752   6.613
    9    HG1  THR   2           HG1      THR   2  -2.290  -3.935   7.811
   10   1HG2  THR   2          HG21      THR   2  -3.466  -7.430   8.088
   11   2HG2  THR   2          HG22      THR   2  -3.980  -5.804   8.535
   12   3HG2  THR   2          HG23      THR   2  -2.742  -6.627   9.483
   13    H    ALA   3           HN       ALA   3   0.984  -8.241   6.483
   14    HA   ALA   3           HA       ALA   3   2.173  -6.353   4.755
   15   1HB   ALA   3          HB1       ALA   3   3.368  -8.291   5.639
   16   2HB   ALA   3          HB2       ALA   3   3.448  -8.232   3.879
   17   3HB   ALA   3          HB3       ALA   3   2.352  -9.363   4.677
   18    H    CYS   4           HN       CYS   4   2.114  -6.161   2.513
   19    HA   CYS   4           HA       CYS   4   0.008  -7.612   1.065
   20   1HB   CYS   4          HB2       CYS   4  -1.048  -5.574   1.844
   21   2HB   CYS   4          HB1       CYS   4   0.247  -4.592   1.171
   22    H    SER   5           HN       SER   5   0.269  -7.575  -1.219
   23    HA   SER   5           HA       SER   5   2.931  -6.681  -2.123
   24   1HB   SER   5          HB2       SER   5   1.617  -9.304  -2.866
   25   2HB   SER   5          HB1       SER   5   3.224  -8.737  -3.335
   26    HG   SER   5           HG       SER   5   3.450 -10.110  -1.599
   27    H    CYS   6           HN       CYS   6   2.977  -5.676  -3.991
   28    HA   CYS   6           HA       CYS   6   0.652  -5.827  -5.809
   29   1HB   CYS   6          HB2       CYS   6   2.417  -3.415  -5.316
   30   2HB   CYS   6          HB1       CYS   6   1.112  -3.520  -6.484
   31    H    GLY   7           HN       GLY   7   1.871  -7.656  -6.647
   32   1HA   GLY   7          HA2       GLY   7   3.261  -8.613  -8.179
   33   2HA   GLY   7          HA1       GLY   7   3.580  -7.010  -8.828
   34    H    ASN   8           HN       ASN   8   5.601  -6.292  -8.605
   35    HA   ASN   8           HA       ASN   8   7.479  -7.751  -6.938
   36   1HB   ASN   8          HB2       ASN   8   7.725  -5.532  -8.957
   37   2HB   ASN   8          HB1       ASN   8   9.072  -5.906  -7.884
   38   1HD2  ASN   8          HD21      ASN   8  10.368  -6.557  -9.607
   39   2HD2  ASN   8          HD22      ASN   8  10.097  -8.058 -10.419
   40    H    SER   9           HN       SER   9   5.538  -4.908  -6.662
   41    HA   SER   9           HA       SER   9   7.224  -3.609  -4.724
   42   1HB   SER   9          HB2       SER   9   4.308  -3.113  -5.358
   43   2HB   SER   9          HB1       SER   9   5.385  -2.033  -4.483
   44    HG   SER   9           HG       SER   9   5.059  -1.572  -6.778
   45    H    LYS  10           HN       LYS  10   7.364  -4.159  -2.630
   46    HA   LYS  10           HA       LYS  10   5.183  -5.764  -1.430
   47   1HB   LYS  10          HB2       LYS  10   8.122  -5.748  -0.700
   48   2HB   LYS  10          HB1       LYS  10   6.873  -6.736   0.048
   49   1HG   LYS  10          HG2       LYS  10   7.841  -6.908  -2.792
   50   2HG   LYS  10          HG1       LYS  10   8.193  -8.042  -1.483
   51   1HD   LYS  10          HD2       LYS  10   5.774  -8.524  -1.304
   52   2HD   LYS  10          HD1       LYS  10   5.484  -7.459  -2.681
   53   1HE   LYS  10          HE2       LYS  10   7.091 -10.000  -2.672
   54   2HE   LYS  10          HE1       LYS  10   5.522  -9.735  -3.432
   55   1HZ   LYS  10          HZ1       LYS  10   8.110  -8.497  -4.210
   56   2HZ   LYS  10          HZ2       LYS  10   6.610  -8.052  -4.853
   57   3HZ   LYS  10          HZ3       LYS  10   7.197  -9.611  -5.089
   58    H    GLY  11           HN       GLY  11   4.399  -5.190   0.570
   59   1HA   GLY  11          HA2       GLY  11   5.686  -3.316   2.270
   60   2HA   GLY  11          HA1       GLY  11   4.491  -2.501   1.292
   61    H    ILE  12           HN       ILE  12   3.180  -1.967   3.006
   62    HA   ILE  12           HA       ILE  12   1.802  -4.236   4.339
   63    HB   ILE  12           HB       ILE  12   2.428  -1.538   5.581
   64   1HG1  ILE  12          HG12      ILE  12   4.511  -2.789   5.273
   65   2HG1  ILE  12          HG11      ILE  12   4.081  -2.707   6.974
   66   1HG2  ILE  12          HG21      ILE  12   1.264  -4.071   6.735
   67   2HG2  ILE  12          HG22      ILE  12   0.440  -2.532   6.507
   68   3HG2  ILE  12          HG23      ILE  12   1.743  -2.663   7.680
   69   1HD1  ILE  12          HD11      ILE  12   3.197  -5.007   6.825
   70   2HD1  ILE  12          HD12      ILE  12   4.909  -4.888   6.444
   71   3HD1  ILE  12          HD13      ILE  12   3.739  -5.070   5.159
   72    H    TYR  13           HN       TYR  13  -0.459  -4.034   4.524
   73    HA   TYR  13           HA       TYR  13  -1.540  -1.661   3.195
   74   1HB   TYR  13          HB2       TYR  13  -3.166  -2.816   2.225
   75   2HB   TYR  13          HB1       TYR  13  -2.041  -4.126   2.415
   76    HD1  TYR  13           HD1      TYR  13  -2.471  -5.934   4.016
   77    HD2  TYR  13           HD2      TYR  13  -5.243  -2.735   3.480
   78    HE1  TYR  13           HE1      TYR  13  -4.224  -7.269   5.101
   79    HE2  TYR  13           HE2      TYR  13  -6.979  -4.061   4.579
   80    HH   TYR  13           HH       TYR  13  -7.142  -7.034   4.826
   81    H    TRP  14           HN       TRP  14  -2.683  -0.269   4.217
   82    HA   TRP  14           HA       TRP  14  -3.286  -0.734   7.062
   83   1HB   TRP  14          HB2       TRP  14  -3.076   1.793   5.403
   84   2HB   TRP  14          HB1       TRP  14  -3.494   1.753   7.113
   85    HD1  TRP  14           HD1      TRP  14  -0.516   0.465   4.931
   86    HE1  TRP  14           HE1      TRP  14   1.657   0.929   6.244
   87    HE3  TRP  14           HE3      TRP  14  -2.533   2.532   9.140
   88    HZ2  TRP  14           HZ2      TRP  14   2.405   2.037   8.731
   89    HZ3  TRP  14           HZ3      TRP  14  -1.029   3.283  10.935
   90    HH2  TRP  14           HH2      TRP  14   1.392   3.036  10.733
   91    H    PHE  15           HN       PHE  15  -5.376  -0.213   7.863
   92    HA   PHE  15           HA       PHE  15  -7.422  -0.839   5.966
   93   1HB   PHE  15          HB2       PHE  15  -7.514  -0.275   8.915
   94   2HB   PHE  15          HB1       PHE  15  -8.955  -0.644   7.972
   95    HD1  PHE  15           HD1      PHE  15  -9.238  -2.845   6.948
   96    HD2  PHE  15           HD2      PHE  15  -5.947  -2.006   9.508
   97    HE1  PHE  15           HE1      PHE  15  -8.827  -5.257   7.195
   98    HE2  PHE  15           HE2      PHE  15  -5.533  -4.414   9.768
   99    HZ   PHE  15           HZ       PHE  15  -6.973  -6.044   8.611
  100    H    TYR  16           HN       TYR  16  -7.896   0.722   4.605
  101    HA   TYR  16           HA       TYR  16  -8.639   2.592   3.643
  102   1HB   TYR  16          HB2       TYR  16 -10.208   2.638   6.225
  103   2HB   TYR  16          HB1       TYR  16 -10.580   3.637   4.822
  104    HD1  TYR  16           HD1      TYR  16 -10.992   2.407   2.579
  105    HD2  TYR  16           HD2      TYR  16 -11.152   0.487   6.381
  106    HE1  TYR  16           HE1      TYR  16 -12.311   0.582   1.601
  107    HE2  TYR  16           HE2      TYR  16 -12.471  -1.340   5.405
  108    HH   TYR  16           HH       TYR  16 -14.140  -1.332   2.993
  109    H    ARG  17           HN       ARG  17  -6.593   3.638   3.673
  110    HA   ARG  17           HA       ARG  17  -6.514   5.935   5.518
  111   1HB   ARG  17          HB2       ARG  17  -4.208   4.633   4.088
  112   2HB   ARG  17          HB1       ARG  17  -4.106   6.050   5.130
  113   1HG   ARG  17          HG2       ARG  17  -5.018   3.314   6.009
  114   2HG   ARG  17          HG1       ARG  17  -3.398   3.971   6.228
  115   1HD   ARG  17          HD2       ARG  17  -4.156   5.631   7.688
  116   2HD   ARG  17          HD1       ARG  17  -5.842   5.363   7.306
  117    HE   ARG  17           HE       ARG  17  -5.512   3.081   8.331
  118   1HH1  ARG  17          HH11      ARG  17  -3.678   5.896   9.402
  119   2HH1  ARG  17          HH12      ARG  17  -3.523   5.307  11.007
  120   1HH2  ARG  17          HH21      ARG  17  -5.285   2.340  10.473
  121   2HH2  ARG  17          HH22      ARG  17  -4.425   3.304  11.628
  122    HA   PRO  18           HA       PRO  18  -7.789   7.966   1.713
  123   1HB   PRO  18          HB2       PRO  18  -7.230  10.396   3.350
  124   2HB   PRO  18          HB1       PRO  18  -8.687   9.929   2.465
  125   1HG   PRO  18          HG2       PRO  18  -8.587   9.787   5.123
  126   2HG   PRO  18          HG1       PRO  18  -9.444   8.560   4.170
  127   1HD   PRO  18          HD2       PRO  18  -6.759   8.409   5.484
  128   2HD   PRO  18          HD1       PRO  18  -8.040   7.183   5.352
  129    H    SER  19           HN       SER  19  -4.813   8.362   3.446
  130    HA   SER  19           HA       SER  19  -3.430   8.950   0.984
  131   1HB   SER  19          HB2       SER  19  -2.172  10.857   2.082
  132   2HB   SER  19          HB1       SER  19  -3.855  11.199   1.688
  133    HG   SER  19           HG       SER  19  -2.703  10.697   4.213
  134    H    CYS  20           HN       CYS  20  -1.415   8.073   0.984
  135    HA   CYS  20           HA       CYS  20  -0.728   6.457   3.307
  136   1HB   CYS  20          HB2       CYS  20  -0.735   5.385   1.130
  137   2HB   CYS  20          HB1       CYS  20   0.462   6.527   0.540
  138    HA   PRO  21           HA       PRO  21   2.208   9.640   4.497
  139   1HB   PRO  21          HB2       PRO  21   3.263   8.323   6.645
  140   2HB   PRO  21          HB1       PRO  21   1.693   9.128   6.670
  141   1HG   PRO  21          HG2       PRO  21   2.317   6.229   6.315
  142   2HG   PRO  21          HG1       PRO  21   1.044   6.993   7.283
  143   1HD   PRO  21          HD2       PRO  21   0.599   5.894   4.840
  144   2HD   PRO  21          HD1       PRO  21  -0.346   7.258   5.472
  145    H    THR  22           HN       THR  22   4.102   9.956   3.498
  146    HA   THR  22           HA       THR  22   5.507   7.748   2.343
  147    HB   THR  22           HB       THR  22   6.806  10.436   2.301
  148    HG1  THR  22           HG1      THR  22   5.162  11.452   1.302
  149   1HG2  THR  22          HG21      THR  22   7.466   8.606   0.812
  150   2HG2  THR  22          HG22      THR  22   6.823   9.978  -0.086
  151   3HG2  THR  22          HG23      THR  22   5.828   8.543   0.160
  152    H    ASP  23           HN       ASP  23   5.908   6.792   4.549
  153    HA   ASP  23           HA       ASP  23   8.194   7.931   5.978
  154   1HB   ASP  23          HB2       ASP  23   6.354   7.007   7.294
  155   2HB   ASP  23          HB1       ASP  23   6.551   5.444   6.505
  156    H    ARG  24           HN       ARG  24   7.323   4.806   4.473
  157    HA   ARG  24           HA       ARG  24  10.157   4.089   4.280
  158   1HB   ARG  24          HB2       ARG  24   7.695   2.557   3.462
  159   2HB   ARG  24          HB1       ARG  24   9.333   1.937   3.421
  160   1HG   ARG  24          HG2       ARG  24   9.461   2.169   5.858
  161   2HG   ARG  24          HG1       ARG  24   7.785   2.717   5.879
  162   1HD   ARG  24          HD2       ARG  24   7.173   0.557   4.735
  163   2HD   ARG  24          HD1       ARG  24   8.839   0.047   4.987
  164    HE   ARG  24           HE       ARG  24   7.573   0.894   7.408
  165   1HH1  ARG  24          HH11      ARG  24   7.875  -1.814   5.182
  166   2HH1  ARG  24          HH12      ARG  24   7.506  -2.985   6.389
  167   1HH2  ARG  24          HH21      ARG  24   7.086  -0.674   8.978
  168   2HH2  ARG  24          HH22      ARG  24   7.053  -2.350   8.538
  169    H    GLY  25           HN       GLY  25   8.858   6.289   2.591
  170   1HA   GLY  25          HA2       GLY  25   8.917   7.035   0.452
  171   2HA   GLY  25          HA1       GLY  25  10.286   5.953   0.265
  172    H    TYR  26           HN       TYR  26   7.116   4.805   1.107
  173    HA   TYR  26           HA       TYR  26   6.746   2.714  -0.452
  174   1HB   TYR  26          HB2       TYR  26   4.613   4.812  -0.007
  175   2HB   TYR  26          HB1       TYR  26   4.332   3.118  -0.399
  176    HD1  TYR  26           HD1      TYR  26   5.430   1.416   1.271
  177    HD2  TYR  26           HD2      TYR  26   4.539   5.434   2.234
  178    HE1  TYR  26           HE1      TYR  26   5.421   0.808   3.645
  179    HE2  TYR  26           HE2      TYR  26   4.524   4.843   4.624
  180    HH   TYR  26           HH       TYR  26   5.692   2.906   6.064
  181    H    THR  27           HN       THR  27   6.607   2.197  -2.525
  182    HA   THR  27           HA       THR  27   6.938   4.226  -4.529
  183    HB   THR  27           HB       THR  27   6.631   1.236  -5.003
  184    HG1  THR  27           HG1      THR  27   9.002   2.662  -4.243
  185   1HG2  THR  27          HG21      THR  27   8.167   3.393  -6.460
  186   2HG2  THR  27          HG22      THR  27   6.655   2.658  -6.996
  187   3HG2  THR  27          HG23      THR  27   8.119   1.683  -6.887
  188    H    GLY  28           HN       GLY  28   4.514   1.771  -3.690
  189   1HA   GLY  28          HA2       GLY  28   2.572   3.226  -5.395
  190   2HA   GLY  28          HA1       GLY  28   2.668   1.472  -5.363
  191    H    SER  29           HN       SER  29   0.359   2.894  -4.793
  192    HA   SER  29           HA       SER  29  -0.082   2.044  -2.010
  193   1HB   SER  29          HB2       SER  29  -1.204   4.589  -3.196
  194   2HB   SER  29          HB1       SER  29  -1.439   3.984  -1.555
  195    HG   SER  29           HG       SER  29   0.231   5.643  -1.862
  196    H    CYS  30           HN       CYS  30  -0.869   0.150  -3.056
  197    HA   CYS  30           HA       CYS  30  -2.968   0.283  -5.002
  198   1HB   CYS  30          HB2       CYS  30  -2.147  -2.111  -3.351
  199   2HB   CYS  30          HB1       CYS  30  -2.981  -2.111  -4.886
  200    H    ARG  31           HN       ARG  31  -5.178   0.142  -4.728
  201    HA   ARG  31           HA       ARG  31  -6.173   0.416  -2.027
  202   1HB   ARG  31          HB2       ARG  31  -7.123   1.203  -4.537
  203   2HB   ARG  31          HB1       ARG  31  -8.252  -0.044  -4.047
  204   1HG   ARG  31          HG2       ARG  31  -7.575   2.499  -2.605
  205   2HG   ARG  31          HG1       ARG  31  -9.111   2.034  -3.332
  206   1HD   ARG  31          HD2       ARG  31  -7.844   0.667  -0.966
  207   2HD   ARG  31          HD1       ARG  31  -9.086   1.868  -0.853
  208    HE   ARG  31           HE       ARG  31  -9.371  -0.909  -1.660
  209   1HH1  ARG  31          HH11      ARG  31 -10.884   2.261  -1.469
  210   2HH1  ARG  31          HH12      ARG  31 -12.471   1.634  -1.683
  211   1HH2  ARG  31          HH21      ARG  31 -11.503  -1.709  -1.937
  212   2HH2  ARG  31          HH22      ARG  31 -12.835  -0.602  -1.952
  213    H    TYR  32           HN       TYR  32  -5.902  -1.442  -0.940
  214    HA   TYR  32           HA       TYR  32  -6.649  -4.007  -2.070
  215   1HB   TYR  32          HB2       TYR  32  -4.866  -3.373  -0.209
  216   2HB   TYR  32          HB1       TYR  32  -6.205  -3.577   0.875
  217    HD1  TYR  32           HD1      TYR  32  -4.297  -5.324  -1.806
  218    HD2  TYR  32           HD2      TYR  32  -6.805  -5.740   1.611
  219    HE1  TYR  32           HE1      TYR  32  -3.881  -7.737  -1.807
  220    HE2  TYR  32           HE2      TYR  32  -6.405  -8.165   1.610
  221    HH   TYR  32           HH       TYR  32  -5.519  -9.891  -0.686
  222    H    PHE  33           HN       PHE  33  -8.306  -5.351  -0.903
  223    HA   PHE  33           HA       PHE  33 -10.764  -4.176  -1.126
  224   1HB   PHE  33          HB2       PHE  33 -10.202  -6.639  -0.995
  225   2HB   PHE  33          HB1       PHE  33 -10.230  -6.495   0.744
  226    HD1  PHE  33           HD1      PHE  33 -12.290  -5.862  -2.290
  227    HD2  PHE  33           HD2      PHE  33 -12.305  -6.795   1.855
  228    HE1  PHE  33           HE1      PHE  33 -14.721  -6.209  -2.364
  229    HE2  PHE  33           HE2      PHE  33 -14.715  -7.128   1.798
  230    HZ   PHE  33           HZ       PHE  33 -15.938  -6.841  -0.320
  231    H    LEU  34           HN       LEU  34  -8.761  -4.336   1.805
  232    HA   LEU  34           HA       LEU  34 -10.848  -2.791   3.215
  233   1HB   LEU  34          HB2       LEU  34  -8.757  -4.644   4.337
  234   2HB   LEU  34          HB1       LEU  34  -9.795  -3.630   5.294
  235    HG   LEU  34           HG       LEU  34 -10.771  -5.723   5.435
  236   1HD1  LEU  34          HD11      LEU  34 -12.910  -5.474   4.437
  237   2HD1  LEU  34          HD12      LEU  34 -12.284  -4.407   3.184
  238   3HD1  LEU  34          HD13      LEU  34 -12.336  -3.865   4.864
  239   1HD2  LEU  34          HD21      LEU  34 -10.593  -6.014   2.469
  240   2HD2  LEU  34          HD22      LEU  34 -11.158  -7.210   3.604
  241   3HD2  LEU  34          HD23      LEU  34  -9.463  -6.734   3.587
  242    H    GLY  35           HN       GLY  35  -8.370  -1.848   1.524
  243   1HA   GLY  35          HA2       GLY  35  -8.160   0.555   2.630
  244   2HA   GLY  35          HA1       GLY  35  -7.033  -0.351   3.611
  245    H    THR  36           HN       THR  36  -5.226   0.694   3.076
  246    HA   THR  36           HA       THR  36  -4.567   0.944   0.217
  247    HB   THR  36           HB       THR  36  -3.378   2.555   2.498
  248    HG1  THR  36           HG1      THR  36  -5.727   3.151   0.964
  249   1HG2  THR  36          HG21      THR  36  -2.195   2.639   0.357
  250   2HG2  THR  36          HG22      THR  36  -2.970   4.180   0.718
  251   3HG2  THR  36          HG23      THR  36  -3.693   3.087  -0.461
  252    H    CYS  37           HN       CYS  37  -3.139  -0.506  -0.444
  253    HA   CYS  37           HA       CYS  37  -1.153  -1.701   1.282
  254   1HB   CYS  37          HB2       CYS  37  -1.822  -1.939  -1.621
  255   2HB   CYS  37          HB1       CYS  37  -0.420  -2.731  -0.936
  256    H    CYS  38           HN       CYS  38   0.156  -0.041   1.938
  257    HA   CYS  38           HA       CYS  38   1.459   1.695   0.010
  258   1HB   CYS  38          HB2       CYS  38   1.843   1.260   2.979
  259   2HB   CYS  38          HB1       CYS  38   2.744   2.413   2.038
  260    H    THR  39           HN       THR  39   2.827   0.674  -1.326
  261    HA   THR  39           HA       THR  39   4.636  -1.348  -0.190
  262    HB   THR  39           HB       THR  39   4.456  -2.465  -2.451
  263    HG1  THR  39           HG1      THR  39   2.147  -0.792  -2.745
  264   1HG2  THR  39          HG21      THR  39   3.072  -2.987  -0.284
  265   2HG2  THR  39          HG22      THR  39   2.654  -3.730  -1.816
  266   3HG2  THR  39          HG23      THR  39   1.741  -2.344  -1.230
  267    HA   PRO  40           HA       PRO  40   7.813   0.685  -2.595
  268   1HB   PRO  40          HB2       PRO  40   9.772   0.427  -0.672
  269   2HB   PRO  40          HB1       PRO  40   8.723   1.820  -0.846
  270   1HG   PRO  40          HG2       PRO  40   8.739  -0.125   1.279
  271   2HG   PRO  40          HG1       PRO  40   7.810   1.374   1.151
  272   1HD   PRO  40          HD2       PRO  40   7.001  -1.375   0.600
  273   2HD   PRO  40          HD1       PRO  40   5.991   0.001   0.917
  274    H    ALA  41           HN       ALA  41   9.319  -1.501  -0.346
  275    HA   ALA  41           HA       ALA  41   9.008  -3.858  -1.872
  276   1HB   ALA  41          HB1       ALA  41  11.342  -4.233  -2.451
  277   2HB   ALA  41          HB2       ALA  41  11.761  -2.631  -1.837
  278   3HB   ALA  41          HB3       ALA  41  10.723  -2.790  -3.253
  279    H    ASP  42           HN       ASP  42   8.684  -2.730   0.833
  280    HA   ASP  42           HA       ASP  42  10.055  -4.767   2.389
  281   1HB   ASP  42          HB2       ASP  42  11.740  -3.092   2.416
  282   2HB   ASP  42          HB1       ASP  42  10.564  -1.800   2.637
  Start of MODEL   24
    1   1H    GLY   1           HT1      GLY   1   2.834  -9.578   9.996
    2   2H    GLY   1           HT2      GLY   1   4.051  -8.560  10.580
    3   3H    GLY   1           HT3      GLY   1   3.866  -8.780   8.914
    4   1HA   GLY   1          HA1       GLY   1   1.919  -7.467  10.729
    5   2HA   GLY   1          HA2       GLY   1   2.992  -6.639   9.607
    6    H    THR   2           HN       THR   2   0.911  -5.758   8.824
    7    HA   THR   2           HA       THR   2  -0.794  -7.563   7.307
    8    HB   THR   2           HB       THR   2  -1.726  -5.149   6.600
    9    HG1  THR   2           HG1      THR   2  -1.157  -3.568   8.001
   10   1HG2  THR   2          HG21      THR   2  -2.940  -6.819   7.927
   11   2HG2  THR   2          HG22      THR   2  -3.165  -5.185   8.532
   12   3HG2  THR   2          HG23      THR   2  -2.078  -6.282   9.371
   13    H    ALA   3           HN       ALA   3   1.086  -8.301   6.054
   14    HA   ALA   3           HA       ALA   3   2.399  -6.549   4.271
   15   1HB   ALA   3          HB1       ALA   3   3.430  -8.541   3.346
   16   2HB   ALA   3          HB2       ALA   3   2.277  -9.553   4.219
   17   3HB   ALA   3          HB3       ALA   3   3.443  -8.575   5.108
   18    H    CYS   4           HN       CYS   4   1.975  -5.997   2.226
   19    HA   CYS   4           HA       CYS   4  -0.073  -7.489   0.716
   20   1HB   CYS   4          HB2       CYS   4  -1.150  -5.475   1.655
   21   2HB   CYS   4          HB1       CYS   4   0.077  -4.463   0.907
   22    H    SER   5           HN       SER   5   0.227  -7.407  -1.559
   23    HA   SER   5           HA       SER   5   2.831  -6.315  -2.392
   24   1HB   SER   5          HB2       SER   5   1.724  -9.018  -3.178
   25   2HB   SER   5          HB1       SER   5   3.268  -8.323  -3.680
   26    HG   SER   5           HG       SER   5   3.357  -9.836  -1.880
   27    H    CYS   6           HN       CYS   6   2.898  -5.324  -4.273
   28    HA   CYS   6           HA       CYS   6   0.617  -5.539  -6.138
   29   1HB   CYS   6          HB2       CYS   6   2.364  -3.109  -5.636
   30   2HB   CYS   6          HB1       CYS   6   1.098  -3.240  -6.854
   31    H    GLY   7           HN       GLY   7   1.647  -7.254  -7.190
   32   1HA   GLY   7          HA2       GLY   7   2.986  -8.147  -8.823
   33   2HA   GLY   7          HA1       GLY   7   3.686  -6.555  -9.101
   34    H    ASN   8           HN       ASN   8   5.717  -6.205  -8.374
   35    HA   ASN   8           HA       ASN   8   6.894  -8.225  -6.562
   36   1HB   ASN   8          HB2       ASN   8   9.054  -7.547  -7.390
   37   2HB   ASN   8          HB1       ASN   8   8.013  -7.948  -8.750
   38   1HD2  ASN   8          HD21      ASN   8  10.423  -6.237  -8.562
   39   2HD2  ASN   8          HD22      ASN   8   9.927  -4.710  -9.197
   40    H    SER   9           HN       SER   9   5.535  -5.177  -6.518
   41    HA   SER   9           HA       SER   9   7.353  -3.997  -4.590
   42   1HB   SER   9          HB2       SER   9   6.062  -2.646  -6.263
   43   2HB   SER   9          HB1       SER   9   4.578  -3.083  -5.419
   44    HG   SER   9           HG       SER   9   5.590  -1.023  -4.815
   45    H    LYS  10           HN       LYS  10   7.206  -4.326  -2.417
   46    HA   LYS  10           HA       LYS  10   4.708  -5.529  -1.365
   47   1HB   LYS  10          HB2       LYS  10   7.552  -6.420  -0.879
   48   2HB   LYS  10          HB1       LYS  10   6.159  -7.013   0.023
   49   1HG   LYS  10          HG2       LYS  10   5.213  -7.957  -1.972
   50   2HG   LYS  10          HG1       LYS  10   6.502  -7.278  -2.957
   51   1HD   LYS  10          HD2       LYS  10   8.137  -8.646  -1.742
   52   2HD   LYS  10          HD1       LYS  10   6.828  -9.346  -0.784
   53   1HE   LYS  10          HE2       LYS  10   5.854 -10.343  -2.729
   54   2HE   LYS  10          HE1       LYS  10   6.983  -9.502  -3.794
   55   1HZ   LYS  10          HZ1       LYS  10   7.630 -11.789  -3.459
   56   2HZ   LYS  10          HZ2       LYS  10   7.709 -11.566  -1.786
   57   3HZ   LYS  10          HZ3       LYS  10   8.794 -10.753  -2.802
   58    H    GLY  11           HN       GLY  11   4.140  -5.033   0.705
   59   1HA   GLY  11          HA2       GLY  11   5.811  -3.742   2.563
   60   2HA   GLY  11          HA1       GLY  11   4.892  -2.532   1.703
   61    H    ILE  12           HN       ILE  12   3.416  -1.844   3.124
   62    HA   ILE  12           HA       ILE  12   1.812  -3.868   4.560
   63    HB   ILE  12           HB       ILE  12   2.780  -1.174   5.536
   64   1HG1  ILE  12          HG12      ILE  12   4.525  -2.893   5.579
   65   2HG1  ILE  12          HG11      ILE  12   4.039  -2.444   7.209
   66   1HG2  ILE  12          HG21      ILE  12   1.756  -1.959   7.733
   67   2HG2  ILE  12          HG22      ILE  12   0.885  -3.151   6.772
   68   3HG2  ILE  12          HG23      ILE  12   0.644  -1.432   6.476
   69   1HD1  ILE  12          HD11      ILE  12   4.090  -5.009   5.988
   70   2HD1  ILE  12          HD12      ILE  12   2.433  -4.656   6.464
   71   3HD1  ILE  12          HD13      ILE  12   3.728  -4.578   7.653
   72    H    TYR  13           HN       TYR  13  -0.397  -3.628   4.486
   73    HA   TYR  13           HA       TYR  13  -1.354  -1.234   3.074
   74   1HB   TYR  13          HB2       TYR  13  -3.272  -2.387   2.379
   75   2HB   TYR  13          HB1       TYR  13  -1.932  -3.489   2.159
   76    HD1  TYR  13           HD1      TYR  13  -1.614  -5.418   3.699
   77    HD2  TYR  13           HD2      TYR  13  -5.086  -2.950   3.841
   78    HE1  TYR  13           HE1      TYR  13  -2.800  -7.170   4.933
   79    HE2  TYR  13           HE2      TYR  13  -6.250  -4.701   5.107
   80    HH   TYR  13           HH       TYR  13  -5.159  -6.884   6.720
   81    H    TRP  14           HN       TRP  14  -2.916   0.047   3.905
   82    HA   TRP  14           HA       TRP  14  -3.187  -0.140   6.833
   83   1HB   TRP  14          HB2       TRP  14  -3.261   2.228   4.947
   84   2HB   TRP  14          HB1       TRP  14  -3.527   2.302   6.690
   85    HD1  TRP  14           HD1      TRP  14  -0.697   0.906   4.413
   86    HE1  TRP  14           HE1      TRP  14   1.548   1.543   5.489
   87    HE3  TRP  14           HE3      TRP  14  -2.442   3.373   8.537
   88    HZ2  TRP  14           HZ2      TRP  14   2.460   2.915   7.779
   89    HZ3  TRP  14           HZ3      TRP  14  -0.820   4.326  10.114
   90    HH2  TRP  14           HH2      TRP  14   1.584   4.099   9.746
   91    H    PHE  15           HN       PHE  15  -5.143  -0.079   7.791
   92    HA   PHE  15           HA       PHE  15  -7.374  -0.797   6.156
   93   1HB   PHE  15          HB2       PHE  15  -7.166  -0.303   9.131
   94   2HB   PHE  15          HB1       PHE  15  -8.588  -0.959   8.329
   95    HD1  PHE  15           HD1      PHE  15  -8.468  -3.173   7.231
   96    HD2  PHE  15           HD2      PHE  15  -5.298  -1.687   9.644
   97    HE1  PHE  15           HE1      PHE  15  -7.565  -5.452   7.436
   98    HE2  PHE  15           HE2      PHE  15  -4.395  -3.960   9.864
   99    HZ   PHE  15           HZ       PHE  15  -5.527  -5.849   8.757
  100    H    TYR  16           HN       TYR  16  -8.789   0.505   5.263
  101    HA   TYR  16           HA       TYR  16  -9.821   2.342   4.545
  102   1HB   TYR  16          HB2       TYR  16 -11.265   3.492   6.114
  103   2HB   TYR  16          HB1       TYR  16 -11.287   1.761   6.395
  104    HD1  TYR  16           HD1      TYR  16 -10.727   0.874   8.532
  105    HD2  TYR  16           HD2      TYR  16  -9.977   4.980   7.698
  106    HE1  TYR  16           HE1      TYR  16 -10.242   1.271  10.907
  107    HE2  TYR  16           HE2      TYR  16  -9.477   5.382  10.055
  108    HH   TYR  16           HH       TYR  16  -8.610   3.435  12.109
  109    H    ARG  17           HN       ARG  17  -6.900   2.685   5.250
  110    HA   ARG  17           HA       ARG  17  -6.811   5.557   5.799
  111   1HB   ARG  17          HB2       ARG  17  -4.685   3.486   5.730
  112   2HB   ARG  17          HB1       ARG  17  -4.349   5.174   6.002
  113   1HG   ARG  17          HG2       ARG  17  -6.155   3.529   7.756
  114   2HG   ARG  17          HG1       ARG  17  -4.446   3.732   8.058
  115   1HD   ARG  17          HD2       ARG  17  -6.364   6.020   7.772
  116   2HD   ARG  17          HD1       ARG  17  -5.983   5.270   9.311
  117    HE   ARG  17           HE       ARG  17  -3.552   5.837   8.630
  118   1HH1  ARG  17          HH11      ARG  17  -6.374   7.857   8.057
  119   2HH1  ARG  17          HH12      ARG  17  -5.465   9.313   8.110
  120   1HH2  ARG  17          HH21      ARG  17  -2.387   7.790   8.717
  121   2HH2  ARG  17          HH22      ARG  17  -3.217   9.294   8.486
  122    HA   PRO  18           HA       PRO  18  -6.207   5.645   1.304
  123   1HB   PRO  18          HB2       PRO  18  -7.519   7.941   0.841
  124   2HB   PRO  18          HB1       PRO  18  -8.364   6.453   1.258
  125   1HG   PRO  18          HG2       PRO  18  -7.821   8.835   2.938
  126   2HG   PRO  18          HG1       PRO  18  -9.202   7.728   2.959
  127   1HD   PRO  18          HD2       PRO  18  -6.948   7.691   4.679
  128   2HD   PRO  18          HD1       PRO  18  -8.238   6.494   4.557
  129    H    SER  19           HN       SER  19  -4.103   6.423   3.159
  130    HA   SER  19           HA       SER  19  -2.769   8.376   1.508
  131   1HB   SER  19          HB2       SER  19  -4.043   9.723   3.201
  132   2HB   SER  19          HB1       SER  19  -3.122   8.926   4.474
  133    HG   SER  19           HG       SER  19  -2.170  10.905   3.905
  134    H    CYS  20           HN       CYS  20  -0.814   7.551   1.186
  135    HA   CYS  20           HA       CYS  20   0.257   5.617   3.078
  136   1HB   CYS  20          HB2       CYS  20   1.081   6.388   0.293
  137   2HB   CYS  20          HB1       CYS  20   1.996   5.257   1.287
  138    HA   PRO  21           HA       PRO  21   2.754   8.781   5.045
  139   1HB   PRO  21          HB2       PRO  21   4.265   6.332   5.867
  140   2HB   PRO  21          HB1       PRO  21   3.661   7.676   6.839
  141   1HG   PRO  21          HG2       PRO  21   2.425   5.332   6.862
  142   2HG   PRO  21          HG1       PRO  21   1.501   6.846   6.889
  143   1HD   PRO  21          HD2       PRO  21   1.975   4.952   4.624
  144   2HD   PRO  21          HD1       PRO  21   0.519   5.877   5.054
  145    H    THR  22           HN       THR  22   4.156   9.908   3.853
  146    HA   THR  22           HA       THR  22   5.787   8.687   1.837
  147    HB   THR  22           HB       THR  22   6.031  11.569   2.754
  148    HG1  THR  22           HG1      THR  22   3.896  10.456   1.191
  149   1HG2  THR  22          HG21      THR  22   7.487  10.879   0.950
  150   2HG2  THR  22          HG22      THR  22   6.227  11.936   0.324
  151   3HG2  THR  22          HG23      THR  22   6.123  10.196   0.064
  152    H    ASP  23           HN       ASP  23   6.229   8.763   5.079
  153    HA   ASP  23           HA       ASP  23   8.943   9.651   5.225
  154   1HB   ASP  23          HB2       ASP  23   7.083   8.298   7.181
  155   2HB   ASP  23          HB1       ASP  23   8.760   8.667   7.577
  156    H    ARG  24           HN       ARG  24   7.317   6.467   5.266
  157    HA   ARG  24           HA       ARG  24   9.961   5.199   5.318
  158   1HB   ARG  24          HB2       ARG  24   7.950   4.547   6.829
  159   2HB   ARG  24          HB1       ARG  24   7.352   3.693   5.408
  160   1HG   ARG  24          HG2       ARG  24   9.241   2.281   5.342
  161   2HG   ARG  24          HG1       ARG  24  10.127   3.273   6.499
  162   1HD   ARG  24          HD2       ARG  24   9.425   1.442   7.739
  163   2HD   ARG  24          HD1       ARG  24   8.295   2.701   8.161
  164    HE   ARG  24           HE       ARG  24   6.629   1.668   6.809
  165   1HH1  ARG  24          HH11      ARG  24   9.525  -0.275   7.254
  166   2HH1  ARG  24          HH12      ARG  24   8.700  -1.745   7.038
  167   1HH2  ARG  24          HH21      ARG  24   5.586  -0.316   6.375
  168   2HH2  ARG  24          HH22      ARG  24   6.472  -1.790   6.476
  169    H    GLY  25           HN       GLY  25   9.318   6.556   2.989
  170   1HA   GLY  25          HA2       GLY  25   9.397   6.336   0.735
  171   2HA   GLY  25          HA1       GLY  25  10.466   5.030   1.197
  172    H    TYR  26           HN       TYR  26   6.925   5.073   1.604
  173    HA   TYR  26           HA       TYR  26   6.590   2.570   0.303
  174   1HB   TYR  26          HB2       TYR  26   4.573   4.755   0.872
  175   2HB   TYR  26          HB1       TYR  26   4.167   3.135   0.310
  176    HD1  TYR  26           HD1      TYR  26   5.355   1.231   1.790
  177    HD2  TYR  26           HD2      TYR  26   4.309   5.075   3.155
  178    HE1  TYR  26           HE1      TYR  26   5.333   0.372   4.088
  179    HE2  TYR  26           HE2      TYR  26   4.281   4.259   5.472
  180    HH   TYR  26           HH       TYR  26   3.902   1.523   6.443
  181    H    THR  27           HN       THR  27   6.745   2.163  -1.790
  182    HA   THR  27           HA       THR  27   6.989   4.403  -3.618
  183    HB   THR  27           HB       THR  27   7.455   1.446  -4.156
  184    HG1  THR  27           HG1      THR  27   9.292   3.455  -3.240
  185   1HG2  THR  27          HG21      THR  27   8.989   2.332  -5.890
  186   2HG2  THR  27          HG22      THR  27   8.403   3.959  -5.548
  187   3HG2  THR  27          HG23      THR  27   7.302   2.741  -6.195
  188    H    GLY  28           HN       GLY  28   4.929   1.541  -3.243
  189   1HA   GLY  28          HA2       GLY  28   3.282   2.495  -5.512
  190   2HA   GLY  28          HA1       GLY  28   3.417   0.832  -4.968
  191    H    SER  29           HN       SER  29   1.029   2.428  -5.310
  192    HA   SER  29           HA       SER  29  -0.062   2.054  -2.608
  193   1HB   SER  29          HB2       SER  29   0.503   4.489  -3.045
  194   2HB   SER  29          HB1       SER  29  -0.767   4.470  -4.266
  195    HG   SER  29           HG       SER  29  -1.393   5.164  -2.096
  196    H    CYS  30           HN       CYS  30  -1.353   0.381  -3.022
  197    HA   CYS  30           HA       CYS  30  -3.170   0.498  -5.365
  198   1HB   CYS  30          HB2       CYS  30  -2.310  -1.960  -3.829
  199   2HB   CYS  30          HB1       CYS  30  -3.180  -1.891  -5.350
  200    H    ARG  31           HN       ARG  31  -5.344  -0.356  -5.001
  201    HA   ARG  31           HA       ARG  31  -6.250   0.180  -2.266
  202   1HB   ARG  31          HB2       ARG  31  -7.545   1.299  -3.948
  203   2HB   ARG  31          HB1       ARG  31  -7.791  -0.203  -4.829
  204   1HG   ARG  31          HG2       ARG  31  -9.787   0.384  -3.618
  205   2HG   ARG  31          HG1       ARG  31  -9.110  -1.090  -2.943
  206   1HD   ARG  31          HD2       ARG  31  -7.951   0.573  -1.264
  207   2HD   ARG  31          HD1       ARG  31  -9.186   1.667  -1.834
  208    HE   ARG  31           HE       ARG  31  -9.920  -0.973  -0.743
  209   1HH1  ARG  31          HH11      ARG  31  -9.959   2.530  -0.410
  210   2HH1  ARG  31          HH12      ARG  31 -11.228   2.508   0.748
  211   1HH2  ARG  31          HH21      ARG  31 -11.563  -0.970   0.836
  212   2HH2  ARG  31          HH22      ARG  31 -12.139   0.535   1.470
  213    H    TYR  32           HN       TYR  32  -6.637  -1.393  -0.909
  214    HA   TYR  32           HA       TYR  32  -7.039  -4.146  -1.917
  215   1HB   TYR  32          HB2       TYR  32  -5.074  -3.431  -0.315
  216   2HB   TYR  32          HB1       TYR  32  -6.282  -3.507   0.929
  217    HD1  TYR  32           HD1      TYR  32  -7.334  -5.683   1.503
  218    HD2  TYR  32           HD2      TYR  32  -4.266  -5.435  -1.418
  219    HE1  TYR  32           HE1      TYR  32  -7.013  -8.110   1.640
  220    HE2  TYR  32           HE2      TYR  32  -3.897  -7.839  -1.261
  221    HH   TYR  32           HH       TYR  32  -5.785  -9.917  -0.403
  222    H    PHE  33           HN       PHE  33  -8.686  -5.378  -0.782
  223    HA   PHE  33           HA       PHE  33 -11.105  -4.137  -0.570
  224   1HB   PHE  33          HB2       PHE  33 -10.759  -6.578  -0.649
  225   2HB   PHE  33          HB1       PHE  33 -10.241  -6.561   1.022
  226    HD1  PHE  33           HD1      PHE  33 -13.111  -5.602  -1.149
  227    HD2  PHE  33           HD2      PHE  33 -11.832  -6.927   2.693
  228    HE1  PHE  33           HE1      PHE  33 -15.454  -5.871  -0.462
  229    HE2  PHE  33           HE2      PHE  33 -14.174  -7.189   3.383
  230    HZ   PHE  33           HZ       PHE  33 -15.989  -6.666   1.806
  231    H    LEU  34           HN       LEU  34  -8.777  -4.612   2.058
  232    HA   LEU  34           HA       LEU  34 -10.586  -3.437   3.992
  233   1HB   LEU  34          HB2       LEU  34  -7.806  -4.523   4.259
  234   2HB   LEU  34          HB1       LEU  34  -8.745  -3.929   5.585
  235    HG   LEU  34           HG       LEU  34  -9.008  -6.218   5.774
  236   1HD1  LEU  34          HD11      LEU  34 -11.303  -6.665   5.295
  237   2HD1  LEU  34          HD12      LEU  34 -11.361  -5.402   4.074
  238   3HD1  LEU  34          HD13      LEU  34 -11.155  -4.978   5.772
  239   1HD2  LEU  34          HD21      LEU  34  -7.970  -6.677   3.516
  240   2HD2  LEU  34          HD22      LEU  34  -9.580  -6.485   2.836
  241   3HD2  LEU  34          HD23      LEU  34  -9.273  -7.755   4.004
  242    H    GLY  35           HN       GLY  35  -8.114  -2.221   1.940
  243   1HA   GLY  35          HA2       GLY  35  -8.493   0.410   2.697
  244   2HA   GLY  35          HA1       GLY  35  -7.187  -0.188   3.687
  245    H    THR  36           HN       THR  36  -5.449   0.877   2.843
  246    HA   THR  36           HA       THR  36  -5.068   0.673  -0.082
  247    HB   THR  36           HB       THR  36  -3.929   2.809   1.744
  248    HG1  THR  36           HG1      THR  36  -6.288   2.900   0.117
  249   1HG2  THR  36          HG21      THR  36  -2.702   2.536  -0.326
  250   2HG2  THR  36          HG22      THR  36  -3.651   4.019  -0.386
  251   3HG2  THR  36          HG23      THR  36  -4.201   2.588  -1.257
  252    H    CYS  37           HN       CYS  37  -3.409  -0.488  -0.737
  253    HA   CYS  37           HA       CYS  37  -1.451  -1.506   1.104
  254   1HB   CYS  37          HB2       CYS  37  -1.964  -1.901  -1.815
  255   2HB   CYS  37          HB1       CYS  37  -0.600  -2.638  -0.989
  256    H    CYS  38           HN       CYS  38   0.106  -0.166   1.730
  257    HA   CYS  38           HA       CYS  38   1.375   1.593  -0.266
  258   1HB   CYS  38          HB2       CYS  38   1.774   1.535   2.732
  259   2HB   CYS  38          HB1       CYS  38   2.322   2.760   1.593
  260    H    THR  39           HN       THR  39   2.877   0.452  -1.358
  261    HA   THR  39           HA       THR  39   4.510  -1.470   0.146
  262    HB   THR  39           HB       THR  39   4.707  -2.672  -2.039
  263    HG1  THR  39           HG1      THR  39   2.569  -0.967  -2.873
  264   1HG2  THR  39          HG21      THR  39   2.982  -3.157  -0.210
  265   2HG2  THR  39          HG22      THR  39   2.659  -3.775  -1.827
  266   3HG2  THR  39          HG23      THR  39   1.835  -2.326  -1.258
  267    HA   PRO  40           HA       PRO  40   8.091   0.476  -1.772
  268   1HB   PRO  40          HB2       PRO  40   9.752   0.203   0.394
  269   2HB   PRO  40          HB1       PRO  40   8.667   1.540   0.143
  270   1HG   PRO  40          HG2       PRO  40   8.475  -0.523   2.147
  271   2HG   PRO  40          HG1       PRO  40   7.570   0.983   2.002
  272   1HD   PRO  40          HD2       PRO  40   6.828  -1.722   1.187
  273   2HD   PRO  40          HD1       PRO  40   5.785  -0.348   1.444
  274    H    ALA  41           HN       ALA  41   9.443  -1.669   0.590
  275    HA   ALA  41           HA       ALA  41   9.383  -4.032  -1.015
  276   1HB   ALA  41          HB1       ALA  41  11.817  -4.299  -1.146
  277   2HB   ALA  41          HB2       ALA  41  12.039  -2.689  -0.456
  278   3HB   ALA  41          HB3       ALA  41  11.288  -2.874  -2.040
  279    H    ASP  42           HN       ASP  42   8.332  -3.233   1.438
  280    HA   ASP  42           HA       ASP  42  10.095  -4.084   3.565
  281   1HB   ASP  42          HB2       ASP  42   8.612  -2.127   3.800
  282   2HB   ASP  42          HB1       ASP  42   7.213  -3.162   3.628
  Start of MODEL   25
    1   1H    GLY   1           HT1      GLY   1  -0.584  -8.696  11.774
    2   2H    GLY   1           HT2      GLY   1   0.991  -9.196  12.130
    3   3H    GLY   1           HT3      GLY   1   0.103  -9.999  10.937
    4   1HA   GLY   1          HA1       GLY   1   1.040  -7.188  10.824
    5   2HA   GLY   1          HA2       GLY   1   1.753  -8.541   9.954
    6    H    THR   2           HN       THR   2   0.760  -6.201   8.722
    7    HA   THR   2           HA       THR   2  -1.508  -7.335   7.195
    8    HB   THR   2           HB       THR   2  -2.094  -4.889   6.709
    9    HG1  THR   2           HG1      THR   2  -1.195  -3.331   7.931
   10   1HG2  THR   2          HG21      THR   2  -3.427  -6.259   8.222
   11   2HG2  THR   2          HG22      THR   2  -3.327  -4.589   8.778
   12   3HG2  THR   2          HG23      THR   2  -2.350  -5.835   9.554
   13    H    ALA   3           HN       ALA   3   0.753  -8.196   6.340
   14    HA   ALA   3           HA       ALA   3   2.187  -6.431   4.623
   15   1HB   ALA   3          HB1       ALA   3   3.365  -8.414   3.865
   16   2HB   ALA   3          HB2       ALA   3   2.177  -9.442   4.669
   17   3HB   ALA   3          HB3       ALA   3   3.226  -8.395   5.622
   18    H    CYS   4           HN       CYS   4   1.969  -6.010   2.505
   19    HA   CYS   4           HA       CYS   4  -0.030  -7.501   0.931
   20   1HB   CYS   4          HB2       CYS   4  -1.139  -5.500   1.763
   21   2HB   CYS   4          HB1       CYS   4   0.178  -4.488   1.179
   22    H    SER   5           HN       SER   5   0.325  -7.427  -1.342
   23    HA   SER   5           HA       SER   5   2.999  -6.454  -2.135
   24   1HB   SER   5          HB2       SER   5   1.737  -9.060  -3.015
   25   2HB   SER   5          HB1       SER   5   3.352  -8.465  -3.406
   26    HG   SER   5           HG       SER   5   2.356  -9.402  -0.937
   27    H    CYS   6           HN       CYS   6   3.097  -5.367  -3.993
   28    HA   CYS   6           HA       CYS   6   0.750  -5.376  -5.796
   29   1HB   CYS   6          HB2       CYS   6   2.482  -3.047  -4.963
   30   2HB   CYS   6          HB1       CYS   6   1.342  -2.996  -6.301
   31    H    GLY   7           HN       GLY   7   1.696  -6.897  -7.165
   32   1HA   GLY   7          HA2       GLY   7   2.930  -7.570  -8.954
   33   2HA   GLY   7          HA1       GLY   7   3.278  -5.871  -9.237
   34    H    ASN   8           HN       ASN   8   5.219  -5.023  -8.572
   35    HA   ASN   8           HA       ASN   8   7.315  -6.981  -7.956
   36   1HB   ASN   8          HB2       ASN   8   7.682  -5.399  -9.789
   37   2HB   ASN   8          HB1       ASN   8   7.450  -4.044  -8.689
   38   1HD2  ASN   8          HD21      ASN   8   9.456  -3.160  -8.908
   39   2HD2  ASN   8          HD22      ASN   8  10.900  -3.953  -8.390
   40    H    SER   9           HN       SER   9   5.750  -4.125  -6.616
   41    HA   SER   9           HA       SER   9   7.653  -3.846  -4.489
   42   1HB   SER   9          HB2       SER   9   4.976  -2.484  -4.894
   43   2HB   SER   9          HB1       SER   9   6.286  -1.962  -3.835
   44    HG   SER   9           HG       SER   9   6.149  -0.932  -5.975
   45    H    LYS  10           HN       LYS  10   7.376  -4.247  -2.304
   46    HA   LYS  10           HA       LYS  10   4.882  -5.589  -1.479
   47   1HB   LYS  10          HB2       LYS  10   6.090  -7.264  -0.268
   48   2HB   LYS  10          HB1       LYS  10   6.567  -7.317  -1.951
   49   1HG   LYS  10          HG2       LYS  10   8.615  -6.118  -1.417
   50   2HG   LYS  10          HG1       LYS  10   8.172  -6.079   0.286
   51   1HD   LYS  10          HD2       LYS  10   8.279  -8.711  -1.147
   52   2HD   LYS  10          HD1       LYS  10   9.782  -7.918  -0.687
   53   1HE   LYS  10          HE2       LYS  10   9.118  -9.479   1.023
   54   2HE   LYS  10          HE1       LYS  10   9.031  -7.843   1.633
   55   1HZ   LYS  10          HZ1       LYS  10   6.719  -7.887   1.638
   56   2HZ   LYS  10          HZ2       LYS  10   7.137  -9.431   2.172
   57   3HZ   LYS  10          HZ3       LYS  10   6.626  -9.206   0.577
   58    H    GLY  11           HN       GLY  11   4.126  -4.962   0.470
   59   1HA   GLY  11          HA2       GLY  11   5.828  -3.749   2.453
   60   2HA   GLY  11          HA1       GLY  11   4.859  -2.591   1.583
   61    H    ILE  12           HN       ILE  12   3.461  -1.938   3.083
   62    HA   ILE  12           HA       ILE  12   1.835  -4.001   4.454
   63    HB   ILE  12           HB       ILE  12   2.821  -1.349   5.547
   64   1HG1  ILE  12          HG12      ILE  12   4.635  -2.983   5.427
   65   2HG1  ILE  12          HG11      ILE  12   4.171  -2.706   7.101
   66   1HG2  ILE  12          HG21      ILE  12   1.894  -2.248   7.709
   67   2HG2  ILE  12          HG22      ILE  12   1.091  -3.495   6.757
   68   3HG2  ILE  12          HG23      ILE  12   0.696  -1.797   6.502
   69   1HD1  ILE  12          HD11      ILE  12   2.816  -4.811   6.979
   70   2HD1  ILE  12          HD12      ILE  12   4.553  -5.024   6.811
   71   3HD1  ILE  12          HD13      ILE  12   3.524  -5.081   5.394
   72    H    TYR  13           HN       TYR  13  -0.368  -3.672   4.477
   73    HA   TYR  13           HA       TYR  13  -1.272  -1.264   3.064
   74   1HB   TYR  13          HB2       TYR  13  -3.178  -2.361   2.359
   75   2HB   TYR  13          HB1       TYR  13  -1.950  -3.601   2.303
   76    HD1  TYR  13           HD1      TYR  13  -5.006  -2.504   3.941
   77    HD2  TYR  13           HD2      TYR  13  -1.967  -5.491   3.865
   78    HE1  TYR  13           HE1      TYR  13  -6.403  -3.970   5.297
   79    HE2  TYR  13           HE2      TYR  13  -3.390  -6.972   5.215
   80    HH   TYR  13           HH       TYR  13  -5.675  -6.195   7.015
   81    H    TRP  14           HN       TRP  14  -2.577   0.186   3.949
   82    HA   TRP  14           HA       TRP  14  -2.963  -0.013   6.863
   83   1HB   TRP  14          HB2       TRP  14  -2.795   2.388   5.031
   84   2HB   TRP  14          HB1       TRP  14  -3.047   2.460   6.774
   85    HD1  TRP  14           HD1      TRP  14  -0.357   0.991   4.357
   86    HE1  TRP  14           HE1      TRP  14   1.950   1.394   5.422
   87    HE3  TRP  14           HE3      TRP  14  -1.849   3.225   8.706
   88    HZ2  TRP  14           HZ2      TRP  14   3.000   2.516   7.789
   89    HZ3  TRP  14           HZ3      TRP  14  -0.131   3.939  10.313
   90    HH2  TRP  14           HH2      TRP  14   2.243   3.592   9.863
   91    H    PHE  15           HN       PHE  15  -4.943   0.466   7.766
   92    HA   PHE  15           HA       PHE  15  -7.156  -0.201   6.081
   93   1HB   PHE  15          HB2       PHE  15  -7.055   0.532   9.011
   94   2HB   PHE  15          HB1       PHE  15  -8.483  -0.077   8.181
   95    HD1  PHE  15           HD1      PHE  15  -5.474  -0.963   9.899
   96    HD2  PHE  15           HD2      PHE  15  -8.348  -2.362   7.085
   97    HE1  PHE  15           HE1      PHE  15  -4.758  -3.275  10.318
   98    HE2  PHE  15           HE2      PHE  15  -7.636  -4.676   7.503
   99    HZ   PHE  15           HZ       PHE  15  -5.839  -5.137   9.122
  100    H    TYR  16           HN       TYR  16  -8.405   1.090   5.009
  101    HA   TYR  16           HA       TYR  16  -9.489   2.891   4.208
  102   1HB   TYR  16          HB2       TYR  16 -10.026   2.958   7.164
  103   2HB   TYR  16          HB1       TYR  16 -10.873   4.025   6.051
  104    HD1  TYR  16           HD1      TYR  16 -12.153   2.963   4.102
  105    HD2  TYR  16           HD2      TYR  16 -10.822   0.765   7.502
  106    HE1  TYR  16           HE1      TYR  16 -13.802   1.210   3.612
  107    HE2  TYR  16           HE2      TYR  16 -12.469  -0.989   7.014
  108    HH   TYR  16           HH       TYR  16 -14.985  -0.769   5.469
  109    H    ARG  17           HN       ARG  17  -6.686   3.607   4.617
  110    HA   ARG  17           HA       ARG  17  -7.143   6.486   5.015
  111   1HB   ARG  17          HB2       ARG  17  -4.754   6.816   5.258
  112   2HB   ARG  17          HB1       ARG  17  -5.429   5.796   6.518
  113   1HG   ARG  17          HG2       ARG  17  -4.399   3.899   5.750
  114   2HG   ARG  17          HG1       ARG  17  -4.142   4.522   4.133
  115   1HD   ARG  17          HD2       ARG  17  -2.054   4.441   5.345
  116   2HD   ARG  17          HD1       ARG  17  -2.518   6.074   4.967
  117    HE   ARG  17           HE       ARG  17  -3.137   5.014   7.630
  118   1HH1  ARG  17          HH11      ARG  17  -1.343   7.266   5.615
  119   2HH1  ARG  17          HH12      ARG  17  -0.667   8.100   6.951
  120   1HH2  ARG  17          HH21      ARG  17  -2.234   6.160   9.403
  121   2HH2  ARG  17          HH22      ARG  17  -1.170   7.495   9.105
  122    HA   PRO  18           HA       PRO  18  -6.691   6.305   0.529
  123   1HB   PRO  18          HB2       PRO  18  -7.789   8.727   0.033
  124   2HB   PRO  18          HB1       PRO  18  -8.756   7.310   0.445
  125   1HG   PRO  18          HG2       PRO  18  -7.932   9.596   2.173
  126   2HG   PRO  18          HG1       PRO  18  -9.480   8.737   2.106
  127   1HD   PRO  18          HD2       PRO  18  -7.525   8.301   3.994
  128   2HD   PRO  18          HD1       PRO  18  -8.770   7.118   3.548
  129    H    SER  19           HN       SER  19  -4.900   7.760   2.814
  130    HA   SER  19           HA       SER  19  -3.244   9.207   0.881
  131   1HB   SER  19          HB2       SER  19  -4.259  10.785   2.437
  132   2HB   SER  19          HB1       SER  19  -3.709   9.827   3.809
  133    HG   SER  19           HG       SER  19  -2.380  11.695   3.205
  134    H    CYS  20           HN       CYS  20  -1.557   7.947   0.469
  135    HA   CYS  20           HA       CYS  20  -0.611   6.039   2.426
  136   1HB   CYS  20          HB2       CYS  20  -0.764   5.409   0.064
  137   2HB   CYS  20          HB1       CYS  20   0.410   6.651  -0.353
  138    HA   PRO  21           HA       PRO  21   2.436   8.965   3.954
  139   1HB   PRO  21          HB2       PRO  21   3.780   7.250   5.572
  140   2HB   PRO  21          HB1       PRO  21   2.187   7.889   5.973
  141   1HG   PRO  21          HG2       PRO  21   2.898   5.238   4.799
  142   2HG   PRO  21          HG1       PRO  21   1.764   5.613   6.095
  143   1HD   PRO  21          HD2       PRO  21   0.991   5.167   3.564
  144   2HD   PRO  21          HD1       PRO  21   0.114   6.244   4.627
  145    H    THR  22           HN       THR  22   4.965   8.753   4.334
  146    HA   THR  22           HA       THR  22   6.166   7.258   2.082
  147    HB   THR  22           HB       THR  22   7.696   9.353   1.845
  148    HG1  THR  22           HG1      THR  22   7.075  10.595   3.563
  149   1HG2  THR  22          HG21      THR  22   6.111   8.653   0.128
  150   2HG2  THR  22          HG22      THR  22   6.166  10.409   0.282
  151   3HG2  THR  22          HG23      THR  22   4.814   9.507   0.968
  152    H    ASP  23           HN       ASP  23   6.057   6.577   4.858
  153    HA   ASP  23           HA       ASP  23   8.474   7.422   6.125
  154   1HB   ASP  23          HB2       ASP  23   6.410   5.325   6.804
  155   2HB   ASP  23          HB1       ASP  23   7.831   5.602   7.809
  156    H    ARG  24           HN       ARG  24   7.605   4.683   4.124
  157    HA   ARG  24           HA       ARG  24  10.245   3.464   4.679
  158   1HB   ARG  24          HB2       ARG  24   7.704   2.292   3.580
  159   2HB   ARG  24          HB1       ARG  24   9.242   1.443   3.559
  160   1HG   ARG  24          HG2       ARG  24   9.310   1.561   6.010
  161   2HG   ARG  24          HG1       ARG  24   7.717   2.323   5.996
  162   1HD   ARG  24          HD2       ARG  24   6.751   0.389   4.925
  163   2HD   ARG  24          HD1       ARG  24   8.352  -0.340   4.756
  164    HE   ARG  24           HE       ARG  24   7.488   0.253   7.468
  165   1HH1  ARG  24          HH11      ARG  24   7.620  -2.139   4.899
  166   2HH1  ARG  24          HH12      ARG  24   7.573  -3.467   5.991
  167   1HH2  ARG  24          HH21      ARG  24   7.420  -1.529   8.888
  168   2HH2  ARG  24          HH22      ARG  24   7.447  -3.138   8.244
  169    H    GLY  25           HN       GLY  25   9.115   5.646   2.621
  170   1HA   GLY  25          HA2       GLY  25   9.588   6.251   0.480
  171   2HA   GLY  25          HA1       GLY  25  10.896   5.073   0.492
  172    H    TYR  26           HN       TYR  26   7.361   4.939   0.718
  173    HA   TYR  26           HA       TYR  26   7.106   2.424  -0.461
  174   1HB   TYR  26          HB2       TYR  26   5.065   4.642  -0.306
  175   2HB   TYR  26          HB1       TYR  26   4.710   2.951  -0.651
  176    HD1  TYR  26           HD1      TYR  26   5.326   1.230   1.138
  177    HD2  TYR  26           HD2      TYR  26   5.143   5.375   1.915
  178    HE1  TYR  26           HE1      TYR  26   5.084   0.751   3.537
  179    HE2  TYR  26           HE2      TYR  26   4.880   4.932   4.311
  180    HH   TYR  26           HH       TYR  26   5.631   2.745   5.874
  181    H    THR  27           HN       THR  27   6.606   1.718  -2.488
  182    HA   THR  27           HA       THR  27   7.272   3.578  -4.653
  183    HB   THR  27           HB       THR  27   7.151   0.543  -4.641
  184    HG1  THR  27           HG1      THR  27   9.391   2.330  -4.463
  185   1HG2  THR  27          HG21      THR  27   8.546   0.835  -6.707
  186   2HG2  THR  27          HG22      THR  27   8.115   2.543  -6.688
  187   3HG2  THR  27          HG23      THR  27   6.861   1.314  -6.877
  188    H    GLY  28           HN       GLY  28   4.849   1.066  -3.842
  189   1HA   GLY  28          HA2       GLY  28   3.099   2.276  -5.916
  190   2HA   GLY  28          HA1       GLY  28   3.174   0.564  -5.557
  191    H    SER  29           HN       SER  29   1.079   2.806  -5.400
  192    HA   SER  29           HA       SER  29   0.088   2.131  -2.701
  193   1HB   SER  29          HB2       SER  29   0.452   4.554  -3.106
  194   2HB   SER  29          HB1       SER  29  -0.712   4.481  -4.426
  195    HG   SER  29           HG       SER  29  -1.537   5.156  -2.310
  196    H    CYS  30           HN       CYS  30  -1.563   0.738  -2.693
  197    HA   CYS  30           HA       CYS  30  -3.195   0.428  -5.152
  198   1HB   CYS  30          HB2       CYS  30  -2.263  -1.849  -3.416
  199   2HB   CYS  30          HB1       CYS  30  -2.994  -1.919  -4.997
  200    H    ARG  31           HN       ARG  31  -5.200  -0.831  -4.761
  201    HA   ARG  31           HA       ARG  31  -6.328  -0.203  -2.102
  202   1HB   ARG  31          HB2       ARG  31  -7.664   0.835  -3.750
  203   2HB   ARG  31          HB1       ARG  31  -7.623  -0.577  -4.794
  204   1HG   ARG  31          HG2       ARG  31  -9.788  -0.359  -3.768
  205   2HG   ARG  31          HG1       ARG  31  -9.009  -1.814  -3.172
  206   1HD   ARG  31          HD2       ARG  31  -8.290  -0.413  -1.163
  207   2HD   ARG  31          HD1       ARG  31  -9.381   0.818  -1.787
  208    HE   ARG  31           HE       ARG  31 -10.467  -1.864  -1.343
  209   1HH1  ARG  31          HH11      ARG  31 -10.115   1.405  -0.092
  210   2HH1  ARG  31          HH12      ARG  31 -11.490   1.267   0.931
  211   1HH2  ARG  31          HH21      ARG  31 -12.265  -2.015   0.034
  212   2HH2  ARG  31          HH22      ARG  31 -12.707  -0.660   1.019
  213    H    TYR  32           HN       TYR  32  -6.470  -1.860  -0.765
  214    HA   TYR  32           HA       TYR  32  -6.867  -4.571  -1.881
  215   1HB   TYR  32          HB2       TYR  32  -4.859  -3.756  -0.196
  216   2HB   TYR  32          HB1       TYR  32  -6.011  -4.383   0.940
  217    HD1  TYR  32           HD1      TYR  32  -6.605  -6.762   0.944
  218    HD2  TYR  32           HD2      TYR  32  -3.789  -5.230  -1.854
  219    HE1  TYR  32           HE1      TYR  32  -5.856  -9.047   0.434
  220    HE2  TYR  32           HE2      TYR  32  -3.007  -7.492  -2.331
  221    HH   TYR  32           HH       TYR  32  -4.506 -10.055  -1.958
  222    H    PHE  33           HN       PHE  33  -8.177  -5.949  -0.403
  223    HA   PHE  33           HA       PHE  33 -10.696  -4.998  -0.369
  224   1HB   PHE  33          HB2       PHE  33  -9.717  -7.119   1.539
  225   2HB   PHE  33          HB1       PHE  33 -11.357  -6.918   0.953
  226    HD1  PHE  33           HD1      PHE  33 -11.507  -6.853  -1.725
  227    HD2  PHE  33           HD2      PHE  33  -8.436  -8.742   0.550
  228    HE1  PHE  33           HE1      PHE  33 -10.995  -8.316  -3.630
  229    HE2  PHE  33           HE2      PHE  33  -7.922 -10.204  -1.357
  230    HZ   PHE  33           HZ       PHE  33  -9.200  -9.992  -3.451
  231    H    LEU  34           HN       LEU  34  -8.427  -4.687   2.334
  232    HA   LEU  34           HA       LEU  34 -10.585  -3.496   3.957
  233   1HB   LEU  34          HB2       LEU  34  -7.921  -4.564   4.808
  234   2HB   LEU  34          HB1       LEU  34  -9.130  -3.931   5.880
  235    HG   LEU  34           HG       LEU  34  -9.319  -6.229   6.112
  236   1HD1  LEU  34          HD11      LEU  34 -11.464  -6.817   5.244
  237   2HD1  LEU  34          HD12      LEU  34 -11.352  -5.599   3.977
  238   3HD1  LEU  34          HD13      LEU  34 -11.482  -5.108   5.667
  239   1HD2  LEU  34          HD21      LEU  34  -9.179  -6.541   3.133
  240   2HD2  LEU  34          HD22      LEU  34  -9.310  -7.831   4.298
  241   3HD2  LEU  34          HD23      LEU  34  -7.857  -6.838   4.237
  242    H    GLY  35           HN       GLY  35  -8.098  -2.394   2.000
  243   1HA   GLY  35          HA2       GLY  35  -8.374   0.243   2.740
  244   2HA   GLY  35          HA1       GLY  35  -7.077  -0.374   3.744
  245    H    THR  36           HN       THR  36  -5.511   0.916   2.855
  246    HA   THR  36           HA       THR  36  -5.046   0.681  -0.037
  247    HB   THR  36           HB       THR  36  -4.017   2.813   1.861
  248    HG1  THR  36           HG1      THR  36  -6.306   2.857   0.131
  249   1HG2  THR  36          HG21      THR  36  -2.692   2.632  -0.164
  250   2HG2  THR  36          HG22      THR  36  -3.689   4.082  -0.228
  251   3HG2  THR  36          HG23      THR  36  -4.153   2.657  -1.155
  252    H    CYS  37           HN       CYS  37  -3.335  -0.411  -0.717
  253    HA   CYS  37           HA       CYS  37  -1.376  -1.420   1.140
  254   1HB   CYS  37          HB2       CYS  37  -1.897  -1.861  -1.756
  255   2HB   CYS  37          HB1       CYS  37  -0.487  -2.536  -0.973
  256    H    CYS  38           HN       CYS  38   0.263  -0.183   1.727
  257    HA   CYS  38           HA       CYS  38   1.547   1.547  -0.290
  258   1HB   CYS  38          HB2       CYS  38   1.772   1.446   2.721
  259   2HB   CYS  38          HB1       CYS  38   2.791   2.428   1.700
  260    H    THR  39           HN       THR  39   2.881   0.301  -1.457
  261    HA   THR  39           HA       THR  39   4.491  -1.714  -0.055
  262    HB   THR  39           HB       THR  39   4.476  -2.948  -2.203
  263    HG1  THR  39           HG1      THR  39   2.479  -1.062  -3.001
  264   1HG2  THR  39          HG21      THR  39   2.849  -3.434  -0.406
  265   2HG2  THR  39          HG22      THR  39   2.213  -3.751  -2.018
  266   3HG2  THR  39          HG23      THR  39   1.734  -2.292  -1.153
  267    HA   PRO  40           HA       PRO  40   8.018   0.278  -2.051
  268   1HB   PRO  40          HB2       PRO  40   9.735  -0.102   0.051
  269   2HB   PRO  40          HB1       PRO  40   8.677   1.279  -0.122
  270   1HG   PRO  40          HG2       PRO  40   8.514  -0.875   1.802
  271   2HG   PRO  40          HG1       PRO  40   7.616   0.644   1.753
  272   1HD   PRO  40          HD2       PRO  40   6.807  -2.005   0.888
  273   2HD   PRO  40          HD1       PRO  40   5.803  -0.599   1.188
  274    H    ALA  41           HN       ALA  41   9.201  -2.142   0.221
  275    HA   ALA  41           HA       ALA  41   9.448  -4.330  -1.506
  276   1HB   ALA  41          HB1       ALA  41  11.909  -2.604  -1.260
  277   2HB   ALA  41          HB2       ALA  41  11.001  -2.925  -2.735
  278   3HB   ALA  41          HB3       ALA  41  11.872  -4.232  -1.940
  279    H    ASP  42           HN       ASP  42   8.724  -3.765   1.220
  280    HA   ASP  42           HA       ASP  42  10.742  -5.381   2.641
  281   1HB   ASP  42          HB2       ASP  42  11.016  -2.980   3.238
  282   2HB   ASP  42          HB1       ASP  42   9.344  -2.944   3.787