*HEADER    OXIDOREDUCTASE, APOPTOSIS               21-JUL-04   1WMV              
*TITLE     SOLUTION STRUCTURE OF THE SECOND WW DOMAIN OF WWOX                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WW DOMAIN CONTAINING OXIDOREDUCTASE;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SECOND WW DOMAIN;                                          
*COMPND   5 SYNONYM: WWOX;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: WOX/FOR;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T                                   
*KEYWDS    WW DOMAIN, ALL-BETA                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.KOWALSKI, A.L.MERKEL, A.COLELLA, R.I.RICHARDS, G.W.BOOKER           
*REVDAT   1   09-AUG-05 1WMV    0                                                

!unambiguous
 ASSI {    3}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       2.700      .900      .900 peak     3 spectrum    1 weight   .10000E+01 volume   .22062E-02 ppm1      2.677 ppm2      8.177 CV     1
  ASSI {    4}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.600      .900      .900 peak     4 spectrum    1 weight   .10000E+01 volume   .25050E-02 ppm1      2.677 ppm2      8.480 CV     1
  ASSI {    5}
    (( segid "    " and resid 11   and name HB3 ))
    (( segid "    " and resid 11   and name HN  ))
       2.500      .800      .800 peak     5 spectrum    1 weight   .10000E+01 volume   .33811E-02 ppm1      2.544 ppm2      8.177 CV     1
  ASSI {    6}
    (( segid "    " and resid 11   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       2.800     1.000     1.000 peak     6 spectrum    1 weight   .10000E+01 volume   .15883E-02 ppm1      2.544 ppm2      8.479 CV     1
  ASSI {    7}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       3.100     1.200     1.200 peak     7 spectrum    1 weight   .10000E+01 volume   .95305E-03 ppm1      8.179 ppm2      8.485 CV     1
  ASSI {    8}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.800     1.000     1.000 peak     8 spectrum    1 weight   .10000E+01 volume   .15948E-02 ppm1      4.178 ppm2      8.480 CV     1
  ASSI {    9}
    (( segid "    " and resid 12   and name HB2 ))
    (  segid "    " and resid 12   and name HD1%)
       2.100      .500      .500 peak     9 spectrum    1 weight   .10000E+01 volume   .10173E-01 ppm1      1.730 ppm2      1.021 CV     1
  ASSI {   10}
    (( segid "    " and resid 12   and name HB2 ))
    (  segid "    " and resid 12   and name HD2%)
       2.200      .600      .600 peak    10 spectrum    1 weight   .10000E+01 volume   .72910E-02 ppm1      1.730 ppm2       .707 CV     1
  ASSI {   11}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.200      .600      .600 peak    11 spectrum    1 weight   .10000E+01 volume   .74408E-02 ppm1      1.732 ppm2      8.480 CV     1
  ASSI {   12}
    (( segid "    " and resid 12   and name HB3 ))
    (  segid "    " and resid 12   and name HD1%)
       2.500      .800      .800 peak    12 spectrum    1 weight   .10000E+01 volume   .37464E-02 ppm1      1.347 ppm2      1.023 CV     1
  ASSI {   13}
    (( segid "    " and resid 12   and name HB3 ))
    (  segid "    " and resid 12   and name HD2%)
       2.500      .800      .800 peak    13 spectrum    1 weight   .10000E+01 volume   .34116E-02 ppm1      1.347 ppm2       .707 CV     1
  ASSI {   14}
    (( segid "    " and resid 12   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       2.700      .900      .900 peak    14 spectrum    1 weight   .10000E+01 volume   .20823E-02 ppm1      1.344 ppm2      8.480 CV     1
  ASSI {   15}
    (  segid "    " and resid 12   and name HD1%)
    (  segid "    " and resid 12   and name HD2%)
       2.000      .500      .500 peak    15 spectrum    1 weight   .10000E+01 volume   .13174E-01 ppm1      1.021 ppm2       .707 CV     1
  ASSI {   16}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 12   and name HN  ))
       2.600      .900      .900 peak    16 spectrum    1 weight   .10000E+01 volume   .24548E-02 ppm1      1.020 ppm2      8.481 CV     1
  ASSI {   17}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 16   and name HD1 ))
       3.300     1.400     1.400 peak    17 spectrum    1 weight   .10000E+01 volume   .63228E-03 ppm1      1.021 ppm2      7.033 CV     1
  ASSI {   18}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 16   and name HE3 ))
       3.100     1.200     1.200 peak    18 spectrum    1 weight   .10000E+01 volume   .95841E-03 ppm1      1.021 ppm2      7.342 CV     1
  ASSI {   19}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 17   and name HN  ))
       3.100     1.200     1.200 peak    19 spectrum    1 weight   .10000E+01 volume   .85526E-03 ppm1      1.023 ppm2      9.287 CV     1
  ASSI {   20}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 18   and name HN  ))
       2.600      .800      .800 peak    20 spectrum    1 weight   .10000E+01 volume   .28774E-02 ppm1      1.023 ppm2      8.792 CV     1
  ASSI {   21}
    (  segid "    " and resid 12   and name HD1%)
    (  segid "    " and resid 28   and name HD% )
       2.400      .700      .700 peak    21 spectrum    1 weight   .10000E+01 volume   .44635E-02 ppm1      1.020 ppm2      6.965 CV     1
  ASSI {   22}
    (  segid "    " and resid 12   and name HD1%)
    (  segid "    " and resid 28   and name HE% )
       2.500      .800      .800 peak    22 spectrum    1 weight   .10000E+01 volume   .33452E-02 ppm1      1.020 ppm2      7.168 CV     1
  ASSI {   23}
    (  segid "    " and resid 12   and name HD2%)
    (( segid "    " and resid 12   and name HN  ))
       2.700      .900      .900 peak    23 spectrum    1 weight   .10000E+01 volume   .20902E-02 ppm1       .707 ppm2      8.478 CV     1
  ASSI {   24}
    (  segid "    " and resid 12   and name HD2%)
    (( segid "    " and resid 16   and name HD1 ))
       3.100     1.200     1.200 peak    24 spectrum    1 weight   .10000E+01 volume   .85545E-03 ppm1       .707 ppm2      7.034 CV     1
  ASSI {   25}
    (  segid "    " and resid 12   and name HD2%)
    (( segid "    " and resid 16   and name HE3 ))
       3.000     1.100     1.100 peak    25 spectrum    1 weight   .10000E+01 volume   .11605E-02 ppm1       .709 ppm2      7.342 CV     1
  ASSI {   26}
    (  segid "    " and resid 12   and name HD2%)
    (  segid "    " and resid 28   and name HD% )
       2.400      .700      .700 peak    26 spectrum    1 weight   .10000E+01 volume   .38682E-02 ppm1       .703 ppm2      6.965 CV     1
  ASSI {   27}
    (  segid "    " and resid 12   and name HD2%)
    (  segid "    " and resid 28   and name HE% )
       2.400      .700      .700 peak    27 spectrum    1 weight   .10000E+01 volume   .44186E-02 ppm1       .707 ppm2      7.168 CV     1
  ASSI {   28}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.100      .500      .500 peak    28 spectrum    1 weight   .10000E+01 volume   .10493E-01 ppm1      4.433 ppm2      8.446 CV     1
  ASSI {   29}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 16   and name HD1 ))
       2.800     1.000     1.000 peak    29 spectrum    1 weight   .10000E+01 volume   .15802E-02 ppm1      4.432 ppm2      7.035 CV     1
  ASSI {   30}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       2.600      .900      .900 peak    30 spectrum    1 weight   .10000E+01 volume   .24138E-02 ppm1      2.343 ppm2      8.445 CV     1
  ASSI {   31}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.500      .800      .800 peak    31 spectrum    1 weight   .10000E+01 volume   .35539E-02 ppm1      2.342 ppm2      7.034 CV     1
  ASSI {   32}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 16   and name HE1 ))
       3.300     1.300     1.300 peak    32 spectrum    1 weight   .10000E+01 volume   .67115E-03 ppm1      2.343 ppm2     10.028 CV     1
  ASSI {   33}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.000 peak    33 spectrum    1 weight   .10000E+01 volume   .18559E-02 ppm1      1.902 ppm2      8.446 CV     1
  ASSI {   34}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.200      .600      .600 peak    34 spectrum    1 weight   .10000E+01 volume   .71705E-02 ppm1      1.910 ppm2      7.034 CV     1
  ASSI {   35}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 16   and name HE1 ))
       2.800     1.000     1.000 peak    35 spectrum    1 weight   .10000E+01 volume   .15754E-02 ppm1      1.907 ppm2     10.030 CV     1
  ASSI {   36}
    (( segid "    " and resid 13   and name HD2 ))
    (  segid "    " and resid 12   and name HD1%)
       3.200     1.300     1.300 peak    36 spectrum    1 weight   .10000E+01 volume   .81388E-03 ppm1      3.333 ppm2      1.022 CV     1
  ASSI {   37}
    (( segid "    " and resid 13   and name HD2 ))
    (  segid "    " and resid 12   and name HD2%)
       2.600      .800      .800 peak    37 spectrum    1 weight   .10000E+01 volume   .27522E-02 ppm1      3.327 ppm2       .705 CV     1
  ASSI {   38}
    (( segid "    " and resid 13   and name HD2 ))
    (( segid "    " and resid 16   and name HD1 ))
       3.000     1.100     1.100 peak    38 spectrum    1 weight   .10000E+01 volume   .11195E-02 ppm1      3.326 ppm2      7.034 CV     1
  ASSI {   39}
    (( segid "    " and resid 13   and name HD3 ))
    (  segid "    " and resid 12   and name HD1%)
       3.100     1.200     1.200 peak    39 spectrum    1 weight   .10000E+01 volume   .91240E-03 ppm1      2.821 ppm2      1.021 CV     1
  ASSI {   40}
    (( segid "    " and resid 13   and name HD3 ))
    (  segid "    " and resid 12   and name HD2%)
       2.600      .800      .800 peak    40 spectrum    1 weight   .10000E+01 volume   .26230E-02 ppm1      2.821 ppm2       .705 CV     1
  ASSI {   41}
    (( segid "    " and resid 13   and name HD3 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.700      .900      .900 peak    41 spectrum    1 weight   .10000E+01 volume   .19345E-02 ppm1      2.822 ppm2      7.033 CV     1
  ASSI {   42}
    (( segid "    " and resid 13   and name HD3 ))
    (( segid "    " and resid 16   and name HE1 ))
       3.600     1.600     1.600 peak    42 spectrum    1 weight   .10000E+01 volume   .40665E-03 ppm1      2.823 ppm2     10.028 CV     1
  ASSI {   43}
    (( segid "    " and resid 13   and name HG2 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.800     1.000     1.000 peak    43 spectrum    1 weight   .10000E+01 volume   .15640E-02 ppm1      1.632 ppm2      7.034 CV     1
  ASSI {   44}
    (( segid "    " and resid 13   and name HG2 ))
    (( segid "    " and resid 16   and name HE1 ))
       3.400     1.500     1.500 peak    44 spectrum    1 weight   .10000E+01 volume   .52403E-03 ppm1      1.637 ppm2     10.030 CV     1
  ASSI {   45}
    (( segid "    " and resid 13   and name HG3 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.500      .800      .800 peak    45 spectrum    1 weight   .10000E+01 volume   .32454E-02 ppm1      1.388 ppm2      7.034 CV     1
  ASSI {   46}
    (( segid "    " and resid 13   and name HG3 ))
    (( segid "    " and resid 16   and name HE1 ))
       3.000     1.200     1.200 peak    46 spectrum    1 weight   .10000E+01 volume   .10363E-02 ppm1      1.387 ppm2     10.028 CV     1
  ASSI {   49}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 14   and name HD% )
       2.600      .900      .900 peak    49 spectrum    1 weight   .10000E+01 volume   .24802E-02 ppm1      4.267 ppm2      7.118 CV     1
  ASSI {   50}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 14   and name HE% )
       3.300     1.400     1.400 peak    50 spectrum    1 weight   .10000E+01 volume   .64275E-03 ppm1      4.269 ppm2      6.809 CV     1
  ASSI {   51}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.700      .900      .900 peak    51 spectrum    1 weight   .10000E+01 volume   .22762E-02 ppm1      4.267 ppm2      8.446 CV     1
  ASSI {   52}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.400      .700      .700 peak    52 spectrum    1 weight   .10000E+01 volume   .46701E-02 ppm1      4.267 ppm2      8.327 CV     1
  ASSI {   53}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       3.000     1.100     1.100 peak    53 spectrum    1 weight   .10000E+01 volume   .10990E-02 ppm1      4.266 ppm2      7.781 CV     1
  ASSI {   54}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HB3 ))
       2.200      .600      .600 peak    54 spectrum    1 weight   .10000E+01 volume   .79711E-02 ppm1      3.189 ppm2      2.807 CV     1
  ASSI {   55}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 14   and name HD% )
       2.300      .700      .700 peak    55 spectrum    1 weight   .10000E+01 volume   .53873E-02 ppm1      3.189 ppm2      7.118 CV     1
  ASSI {   56}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 14   and name HE% )
       3.000     1.100     1.100 peak    56 spectrum    1 weight   .10000E+01 volume   .11891E-02 ppm1      3.189 ppm2      6.810 CV     1
  ASSI {   57}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       2.300      .600      .600 peak    57 spectrum    1 weight   .10000E+01 volume   .61990E-02 ppm1      3.189 ppm2      8.446 CV     1
  ASSI {   58}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       2.500      .800      .800 peak    58 spectrum    1 weight   .10000E+01 volume   .37214E-02 ppm1      3.189 ppm2      8.327 CV     1
  ASSI {   59}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 14   and name HD% )
       2.300      .700      .700 peak    59 spectrum    1 weight   .10000E+01 volume   .57510E-02 ppm1      2.811 ppm2      7.118 CV     1
  ASSI {   60}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 14   and name HE% )
       2.900     1.100     1.100 peak    60 spectrum    1 weight   .10000E+01 volume   .13624E-02 ppm1      2.811 ppm2      6.810 CV     1
  ASSI {   61}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.300      .700      .700 peak    61 spectrum    1 weight   .10000E+01 volume   .55828E-02 ppm1      2.811 ppm2      8.446 CV     1
  ASSI {   62}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       3.000     1.200     1.200 peak    62 spectrum    1 weight   .10000E+01 volume   .10431E-02 ppm1      2.812 ppm2      8.327 CV     1
  ASSI {   63}
    (  segid "    " and resid 14   and name HD% )
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.000 peak    63 spectrum    1 weight   .10000E+01 volume   .18613E-02 ppm1      7.119 ppm2      8.446 CV     1
  ASSI {   64}
    (  segid "    " and resid 14   and name HD% )
    (( segid "    " and resid 15   and name HN  ))
       2.800     1.000     1.000 peak    64 spectrum    1 weight   .10000E+01 volume   .16973E-02 ppm1      7.118 ppm2      8.327 CV     1
  ASSI {   65}
    (  segid "    " and resid 14   and name HE% )
    (  segid "    " and resid 14   and name HD% )
       1.800      .400      .400 peak    65 spectrum    1 weight   .10000E+01 volume   .21963E-01 ppm1      6.813 ppm2      7.118 CV     1
  ASSI {   66}
    (  segid "    " and resid 14   and name HE% )
    (( segid "    " and resid 15   and name HN  ))
       3.300     1.400     1.400 peak    66 spectrum    1 weight   .10000E+01 volume   .63740E-03 ppm1      6.823 ppm2      8.323 CV     1
  ASSI {   68}
    (( segid "    " and resid 15   and name HA1 ))
    (( segid "    " and resid 15   and name HN  ))
       2.700      .900      .900 peak    68 spectrum    1 weight   .10000E+01 volume   .20484E-02 ppm1      3.950 ppm2      8.325 CV     1
  ASSI {   69}
    (( segid "    " and resid 15   and name HA1 ))
    (( segid "    " and resid 16   and name HD1 ))
       3.300     1.300     1.300 peak    69 spectrum    1 weight   .10000E+01 volume   .68468E-03 ppm1      3.953 ppm2      7.034 CV     1
  ASSI {   70}
    (( segid "    " and resid 15   and name HA1 ))
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.200     1.200 peak    70 spectrum    1 weight   .10000E+01 volume   .87396E-03 ppm1      3.949 ppm2      7.780 CV     1
  ASSI {   71}
    (( segid "    " and resid 15   and name HA1 ))
    (( segid "    " and resid 31   and name HN  ))
       3.500     1.500     1.500 peak    71 spectrum    1 weight   .10000E+01 volume   .46696E-03 ppm1      3.955 ppm2      8.623 CV     1
  ASSI {   72}
    (( segid "    " and resid 15   and name HA1 ))
    (  segid "    " and resid 32   and name HD1%)
       2.700      .900      .900 peak    72 spectrum    1 weight   .10000E+01 volume   .21210E-02 ppm1      3.949 ppm2       .768 CV     1
  ASSI {   73}
    (( segid "    " and resid 15   and name HA2 ))
    (( segid "    " and resid 15   and name HN  ))
       2.400      .700      .700 peak    73 spectrum    1 weight   .10000E+01 volume   .40269E-02 ppm1      3.199 ppm2      8.327 CV     1
  ASSI {   74}
    (( segid "    " and resid 15   and name HA2 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.900     1.100     1.100 peak    74 spectrum    1 weight   .10000E+01 volume   .13585E-02 ppm1      3.207 ppm2      7.033 CV     1
  ASSI {   75}
    (( segid "    " and resid 15   and name HA2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.800     1.000     1.000 peak    75 spectrum    1 weight   .10000E+01 volume   .15357E-02 ppm1      3.203 ppm2      7.780 CV     1
  ASSI {   76}
    (( segid "    " and resid 15   and name HA2 ))
    (  segid "    " and resid 32   and name HD1%)
       2.900     1.100     1.100 peak    76 spectrum    1 weight   .10000E+01 volume   .12690E-02 ppm1      3.203 ppm2       .767 CV     1
  ASSI {   77}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       3.300     1.300     1.300 peak    77 spectrum    1 weight   .10000E+01 volume   .67519E-03 ppm1      8.325 ppm2      8.443 CV     1
  ASSI {   80}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HD1 ))
       3.100     1.200     1.200 peak    80 spectrum    1 weight   .10000E+01 volume   .85943E-03 ppm1      5.694 ppm2      7.033 CV     1
  ASSI {   81}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HE3 ))
       2.900     1.000     1.000 peak    81 spectrum    1 weight   .10000E+01 volume   .14020E-02 ppm1      5.693 ppm2      7.342 CV     1
  ASSI {   82}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.900     1.000     1.000 peak    82 spectrum    1 weight   .10000E+01 volume   .15105E-02 ppm1      5.700 ppm2      7.780 CV     1
  ASSI {   83}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HB3 ))
       3.400     1.500     1.500 peak    83 spectrum    1 weight   .10000E+01 volume   .52107E-03 ppm1      5.696 ppm2      1.881 CV     1
  ASSI {   84}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HG2 ))
       3.400     1.500     1.500 peak    84 spectrum    1 weight   .10000E+01 volume   .49609E-03 ppm1      5.701 ppm2      2.270 CV     1
  OR {   84}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HG3 ))
  ASSI {   85}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.400      .700      .700 peak    85 spectrum    1 weight   .10000E+01 volume   .44457E-02 ppm1      5.698 ppm2      9.287 CV     1
  ASSI {   86}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 31   and name HD2 ))
       3.200     1.300     1.300 peak    86 spectrum    1 weight   .10000E+01 volume   .78989E-03 ppm1      5.695 ppm2      6.934 CV     1
  ASSI {   87}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.000     1.100     1.100 peak    87 spectrum    1 weight   .10000E+01 volume   .11739E-02 ppm1      5.699 ppm2      8.625 CV     1
  ASSI {   88}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 12   and name HD1%)
       2.900     1.000     1.000 peak    88 spectrum    1 weight   .10000E+01 volume   .13960E-02 ppm1      3.243 ppm2      1.023 CV     1
  ASSI {   89}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 12   and name HD2%)
       3.000     1.100     1.100 peak    89 spectrum    1 weight   .10000E+01 volume   .11272E-02 ppm1      3.244 ppm2       .708 CV     1
  ASSI {   90}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
       6.000     4.500      .000 peak    90 spectrum    1 weight   .10000E+01 volume   .17937E-04 ppm1      3.246 ppm2      2.957 CV     1
  ASSI {   91}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.500      .800      .800 peak    91 spectrum    1 weight   .10000E+01 volume   .30656E-02 ppm1      3.242 ppm2      7.034 CV     1
  ASSI {   92}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HE3 ))
       2.800     1.000     1.000 peak    92 spectrum    1 weight   .10000E+01 volume   .17389E-02 ppm1      3.244 ppm2      7.343 CV     1
  ASSI {   93}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.500      .800      .800 peak    93 spectrum    1 weight   .10000E+01 volume   .31785E-02 ppm1      3.238 ppm2      7.780 CV     1
  ASSI {   94}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.200     1.300     1.300 peak    94 spectrum    1 weight   .10000E+01 volume   .74598E-03 ppm1      3.244 ppm2      9.286 CV     1
  ASSI {   95}
    (( segid "    " and resid 16   and name HB3 ))
    (  segid "    " and resid 12   and name HD1%)
       2.900     1.100     1.100 peak    95 spectrum    1 weight   .10000E+01 volume   .13814E-02 ppm1      2.954 ppm2      1.021 CV     1
  ASSI {   96}
    (( segid "    " and resid 16   and name HB3 ))
    (  segid "    " and resid 12   and name HD2%)
       3.000     1.100     1.100 peak    96 spectrum    1 weight   .10000E+01 volume   .11001E-02 ppm1      2.954 ppm2       .705 CV     1
  ASSI {   97}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HD1 ))
       2.700      .900      .900 peak    97 spectrum    1 weight   .10000E+01 volume   .21441E-02 ppm1      2.956 ppm2      7.034 CV     1
  ASSI {   98}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HE3 ))
       2.600      .800      .800 peak    98 spectrum    1 weight   .10000E+01 volume   .27128E-02 ppm1      2.955 ppm2      7.343 CV     1
  ASSI {   99}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       2.500      .800      .800 peak    99 spectrum    1 weight   .10000E+01 volume   .31761E-02 ppm1      2.951 ppm2      7.780 CV     1
  ASSI {  100}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.000     1.000 peak   100 spectrum    1 weight   .10000E+01 volume   .14326E-02 ppm1      2.954 ppm2      9.286 CV     1
  ASSI {  101}
    (( segid "    " and resid 16   and name HD1 ))
    (( segid "    " and resid 14   and name HN  ))
       3.200     1.300     1.300 peak   101 spectrum    1 weight   .10000E+01 volume   .79145E-03 ppm1      7.034 ppm2      8.446 CV     1
  ASSI {  102}
    (( segid "    " and resid 16   and name HD1 ))
    (( segid "    " and resid 16   and name HE1 ))
       2.000      .500      .500 peak   102 spectrum    1 weight   .10000E+01 volume   .12095E-01 ppm1      7.034 ppm2     10.029 CV     1
  ASSI {  103}
    (( segid "    " and resid 16   and name HD1 ))
    (( segid "    " and resid 16   and name HN  ))
       2.600      .800      .800 peak   103 spectrum    1 weight   .10000E+01 volume   .28240E-02 ppm1      7.034 ppm2      7.783 CV     1
  ASSI {  104}
    (( segid "    " and resid 16   and name HE3 ))
    (( segid "    " and resid 17   and name HN  ))
       3.000     1.100     1.100 peak   104 spectrum    1 weight   .10000E+01 volume   .11528E-02 ppm1      7.343 ppm2      9.283 CV     1
  ASSI {  105}
    (( segid "    " and resid 16   and name HE3 ))
    (( segid "    " and resid 29   and name HN  ))
       3.000     1.100     1.100 peak   105 spectrum    1 weight   .10000E+01 volume   .12091E-02 ppm1      7.343 ppm2      9.185 CV     1
  ASSI {  106}
    (( segid "    " and resid 16   and name HH2 ))
    (( segid "    " and resid 16   and name HE1 ))
       3.000     1.100     1.100 peak   106 spectrum    1 weight   .10000E+01 volume   .11881E-02 ppm1      6.979 ppm2     10.030 CV     1
  ASSI {  107}
    (( segid "    " and resid 16   and name HH2 ))
    (( segid "    " and resid 16   and name HE3 ))
       2.700      .900      .900 peak   107 spectrum    1 weight   .10000E+01 volume   .23693E-02 ppm1      6.975 ppm2      7.342 CV     1
  ASSI {  108}
    (( segid "    " and resid 16   and name HH2 ))
    (( segid "    " and resid 16   and name HZ2 ))
       2.100      .600      .600 peak   108 spectrum    1 weight   .10000E+01 volume   .90805E-02 ppm1      6.975 ppm2      7.391 CV     1
  ASSI {  109}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 15   and name HN  ))
       2.600      .900      .900 peak   109 spectrum    1 weight   .10000E+01 volume   .25319E-02 ppm1      7.780 ppm2      8.327 CV     1
  ASSI {  110}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 16   and name HE1 ))
       3.300     1.400     1.400 peak   110 spectrum    1 weight   .10000E+01 volume   .63788E-03 ppm1      7.780 ppm2     10.030 CV     1
  ASSI {  111}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       3.300     1.400     1.400 peak   111 spectrum    1 weight   .10000E+01 volume   .59158E-03 ppm1      7.786 ppm2      9.283 CV     1
  ASSI {  112}
    (( segid "    " and resid 16   and name HZ2 ))
    (( segid "    " and resid 16   and name HE1 ))
       2.300      .600      .600 peak   112 spectrum    1 weight   .10000E+01 volume   .59611E-02 ppm1      7.391 ppm2     10.029 CV     1
  ASSI {  113}
    (( segid "    " and resid 16   and name HZ3 ))
    (( segid "    " and resid 16   and name HE3 ))
       2.300      .600      .600 peak   113 spectrum    1 weight   .10000E+01 volume   .62800E-02 ppm1      6.847 ppm2      7.342 CV     1
  ASSI {  114}
    (( segid "    " and resid 16   and name HZ3 ))
    (( segid "    " and resid 16   and name HH2 ))
       2.100      .600      .600 peak   114 spectrum    1 weight   .10000E+01 volume   .85794E-02 ppm1      6.845 ppm2      6.975 CV     1
  ASSI {  115}
    (( segid "    " and resid 16   and name HZ3 ))
    (( segid "    " and resid 16   and name HZ2 ))
       2.800     1.000     1.000 peak   115 spectrum    1 weight   .10000E+01 volume   .16703E-02 ppm1      6.847 ppm2      7.391 CV     1
  ASSI {  116}
    (( segid "    " and resid 16   and name HZ3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.200     1.300     1.300 peak   116 spectrum    1 weight   .10000E+01 volume   .71517E-03 ppm1      6.846 ppm2      8.293 CV     1
  ASSI {  117}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.300     1.400     1.400 peak   117 spectrum    1 weight   .10000E+01 volume   .58260E-03 ppm1      4.711 ppm2      9.286 CV     1
  ASSI {  118}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.700      .900      .900 peak   118 spectrum    1 weight   .10000E+01 volume   .21258E-02 ppm1      4.710 ppm2      8.792 CV     1
  ASSI {  119}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.000     1.100     1.100 peak   119 spectrum    1 weight   .10000E+01 volume   .11495E-02 ppm1      2.098 ppm2      9.286 CV     1
  ASSI {  120}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.700      .900      .900 peak   120 spectrum    1 weight   .10000E+01 volume   .20821E-02 ppm1      2.099 ppm2      8.792 CV     1
  ASSI {  121}
    (( segid "    " and resid 17   and name HB2 ))
    (  segid "    " and resid 29   and name HG1%)
       3.600     1.600     1.600 peak   121 spectrum    1 weight   .10000E+01 volume   .36558E-03 ppm1      2.092 ppm2       .671 CV     1
  ASSI {  122}
    (( segid "    " and resid 17   and name HB2 ))
    (  segid "    " and resid 29   and name HG2%)
       3.100     1.200     1.200 peak   122 spectrum    1 weight   .10000E+01 volume   .87538E-03 ppm1      2.091 ppm2       .348 CV     1
  ASSI {  123}
    (( segid "    " and resid 17   and name HB2 ))
    (( segid "    " and resid 31   and name HD2 ))
       2.900     1.100     1.100 peak   123 spectrum    1 weight   .10000E+01 volume   .12528E-02 ppm1      2.102 ppm2      6.933 CV     1
  ASSI {  124}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       2.800     1.000     1.000 peak   124 spectrum    1 weight   .10000E+01 volume   .17392E-02 ppm1      1.876 ppm2      9.286 CV     1
  ASSI {  125}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 18   and name HN  ))
       2.400      .700      .700 peak   125 spectrum    1 weight   .10000E+01 volume   .47333E-02 ppm1      1.876 ppm2      8.793 CV     1
  ASSI {  126}
    (( segid "    " and resid 17   and name HB3 ))
    (  segid "    " and resid 29   and name HG1%)
       2.400      .700      .700 peak   126 spectrum    1 weight   .10000E+01 volume   .42375E-02 ppm1      1.881 ppm2       .673 CV     1
  ASSI {  127}
    (( segid "    " and resid 17   and name HB3 ))
    (  segid "    " and resid 29   and name HG2%)
       2.600      .900      .900 peak   127 spectrum    1 weight   .10000E+01 volume   .24285E-02 ppm1      1.882 ppm2       .348 CV     1
  ASSI {  128}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 31   and name HD2 ))
       2.700      .900      .900 peak   128 spectrum    1 weight   .10000E+01 volume   .21009E-02 ppm1      1.877 ppm2      6.933 CV     1
  ASSI {  129}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.000     1.100     1.100 peak   129 spectrum    1 weight   .10000E+01 volume   .11980E-02 ppm1      2.255 ppm2      9.286 CV     1
  OR {  129}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  130}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.700      .900      .900 peak   130 spectrum    1 weight   .10000E+01 volume   .20895E-02 ppm1      2.256 ppm2      8.792 CV     1
  OR {  130}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  131}
    (( segid "    " and resid 17   and name HG2 ))
    (  segid "    " and resid 29   and name HG1%)
       3.200     1.300     1.300 peak   131 spectrum    1 weight   .10000E+01 volume   .75245E-03 ppm1      2.258 ppm2       .670 CV     1
  OR {  131}
    (( segid "    " and resid 17   and name HG3 ))
    (  segid "    " and resid 29   and name HG1%)
  ASSI {  132}
    (( segid "    " and resid 17   and name HG2 ))
    (  segid "    " and resid 29   and name HG2%)
       3.100     1.200     1.200 peak   132 spectrum    1 weight   .10000E+01 volume   .90784E-03 ppm1      2.257 ppm2       .347 CV     1
  OR {  132}
    (( segid "    " and resid 17   and name HG3 ))
    (  segid "    " and resid 29   and name HG2%)
  ASSI {  133}
    (( segid "    " and resid 17   and name HG2 ))
    (( segid "    " and resid 31   and name HD2 ))
       2.600      .800      .800 peak   133 spectrum    1 weight   .10000E+01 volume   .28089E-02 ppm1      2.256 ppm2      6.933 CV     1
  OR {  133}
    (( segid "    " and resid 17   and name HG3 ))
    (( segid "    " and resid 31   and name HD2 ))
  ASSI {  134}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       3.300     1.400     1.400 peak   134 spectrum    1 weight   .10000E+01 volume   .60540E-03 ppm1      4.778 ppm2      8.792 CV     1
  ASSI {  135}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 28   and name HD% )
       2.900     1.100     1.100 peak   135 spectrum    1 weight   .10000E+01 volume   .13284E-02 ppm1      4.787 ppm2      6.965 CV     1
  ASSI {  136}
    (( segid "    " and resid 18   and name HA  ))
    (  segid "    " and resid 28   and name HE% )
       3.400     1.400     1.400 peak   136 spectrum    1 weight   .10000E+01 volume   .54555E-03 ppm1      4.788 ppm2      7.166 CV     1
  ASSI {  137}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 12   and name HD1%)
       2.400      .700      .700 peak   137 spectrum    1 weight   .10000E+01 volume   .38435E-02 ppm1      1.868 ppm2      1.024 CV     1
  OR {  137}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 12   and name HD1%)
  ASSI {  138}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 12   and name HD2%)
       3.000     1.100     1.100 peak   138 spectrum    1 weight   .10000E+01 volume   .11759E-02 ppm1      1.869 ppm2       .703 CV     1
  OR {  138}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 12   and name HD2%)
  ASSI {  139}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HE21))
       2.800     1.000     1.000 peak   139 spectrum    1 weight   .10000E+01 volume   .18134E-02 ppm1      1.856 ppm2      7.069 CV     1
  OR {  139}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HE21))
  ASSI {  140}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HE22))
       3.200     1.300     1.300 peak   140 spectrum    1 weight   .10000E+01 volume   .72354E-03 ppm1      1.860 ppm2      6.768 CV     1
  OR {  140}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HE22))
  ASSI {  141}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.400      .700      .700 peak   141 spectrum    1 weight   .10000E+01 volume   .43948E-02 ppm1      1.855 ppm2      8.793 CV     1
  OR {  141}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  142}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 19   and name HN  ))
       2.600      .800      .800 peak   142 spectrum    1 weight   .10000E+01 volume   .26797E-02 ppm1      1.855 ppm2      8.416 CV     1
  OR {  142}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  143}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 26   and name HG2%)
       2.500      .800      .800 peak   143 spectrum    1 weight   .10000E+01 volume   .30710E-02 ppm1      1.856 ppm2       .570 CV     1
  OR {  143}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 26   and name HG2%)
  ASSI {  144}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 28   and name HD% )
       2.600      .800      .800 peak   144 spectrum    1 weight   .10000E+01 volume   .27248E-02 ppm1      1.861 ppm2      6.964 CV     1
  OR {  144}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 28   and name HD% )
  ASSI {  145}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 28   and name HE% )
       2.500      .800      .800 peak   145 spectrum    1 weight   .10000E+01 volume   .36490E-02 ppm1      1.860 ppm2      7.168 CV     1
  OR {  145}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 28   and name HE% )
  ASSI {  146}
    (( segid "    " and resid 18   and name HE22))
    (( segid "    " and resid 18   and name HE21))
       1.700      .400      .500 peak   146 spectrum    1 weight   .10000E+01 volume   .36557E-01 ppm1      6.768 ppm2      7.068 CV     1
  ASSI {  147}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HE21))
       2.600      .900      .900 peak   147 spectrum    1 weight   .10000E+01 volume   .25282E-02 ppm1      2.000 ppm2      7.069 CV     1
  OR {  147}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HE21))
  ASSI {  148}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HE22))
       2.900     1.100     1.100 peak   148 spectrum    1 weight   .10000E+01 volume   .12808E-02 ppm1      2.000 ppm2      6.767 CV     1
  OR {  148}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HE22))
  ASSI {  149}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HN  ))
       3.200     1.300     1.300 peak   149 spectrum    1 weight   .10000E+01 volume   .78547E-03 ppm1      1.997 ppm2      8.793 CV     1
  OR {  149}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  150}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 19   and name HN  ))
       2.900     1.000     1.000 peak   150 spectrum    1 weight   .10000E+01 volume   .14720E-02 ppm1      2.000 ppm2      8.418 CV     1
  OR {  150}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  151}
    (( segid "    " and resid 18   and name HG2 ))
    (  segid "    " and resid 26   and name HG2%)
       2.700      .900      .900 peak   151 spectrum    1 weight   .10000E+01 volume   .19695E-02 ppm1      1.998 ppm2       .569 CV     1
  OR {  151}
    (( segid "    " and resid 18   and name HG3 ))
    (  segid "    " and resid 26   and name HG2%)
  ASSI {  152}
    (( segid "    " and resid 18   and name HG2 ))
    (  segid "    " and resid 28   and name HE% )
       3.100     1.200     1.200 peak   152 spectrum    1 weight   .10000E+01 volume   .90452E-03 ppm1      1.998 ppm2      7.168 CV     1
  OR {  152}
    (( segid "    " and resid 18   and name HG3 ))
    (  segid "    " and resid 28   and name HE% )
  ASSI {  153}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       2.700      .900      .900 peak   153 spectrum    1 weight   .10000E+01 volume   .23460E-02 ppm1      4.405 ppm2      8.416 CV     1
  ASSI {  154}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.200      .600      .600 peak   154 spectrum    1 weight   .10000E+01 volume   .69908E-02 ppm1      4.406 ppm2      8.138 CV     1
  ASSI {  155}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HB3 ))
       2.300      .700      .700 peak   155 spectrum    1 weight   .10000E+01 volume   .52873E-02 ppm1      1.384 ppm2       .434 CV     1
  ASSI {  156}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       2.600      .900      .900 peak   156 spectrum    1 weight   .10000E+01 volume   .25044E-02 ppm1      1.387 ppm2      8.418 CV     1
  ASSI {  157}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       2.400      .700      .700 peak   157 spectrum    1 weight   .10000E+01 volume   .40082E-02 ppm1      1.388 ppm2      8.139 CV     1
  ASSI {  159}
    (( segid "    " and resid 19   and name HB2 ))
    (  segid "    " and resid 27   and name HE% )
       2.800     1.000     1.000 peak   159 spectrum    1 weight   .10000E+01 volume   .16153E-02 ppm1      1.387 ppm2      6.845 CV     1
  ASSI {  160}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 27   and name HZ  ))
       2.900     1.100     1.100 peak   160 spectrum    1 weight   .10000E+01 volume   .13733E-02 ppm1      1.387 ppm2      7.083 CV     1
  ASSI {  161}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HN  ))
       2.800     1.000     1.000 peak   161 spectrum    1 weight   .10000E+01 volume   .15580E-02 ppm1       .431 ppm2      8.418 CV     1
  ASSI {  162}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       2.800     1.000     1.000 peak   162 spectrum    1 weight   .10000E+01 volume   .16958E-02 ppm1       .430 ppm2      8.139 CV     1
  ASSI {  163}
    (( segid "    " and resid 19   and name HB3 ))
    (  segid "    " and resid 27   and name HD% )
       3.200     1.300     1.300 peak   163 spectrum    1 weight   .10000E+01 volume   .70834E-03 ppm1       .438 ppm2      6.792 CV     1
  ASSI {  164}
    (( segid "    " and resid 19   and name HB3 ))
    (  segid "    " and resid 27   and name HE% )
       3.200     1.300     1.300 peak   164 spectrum    1 weight   .10000E+01 volume   .78276E-03 ppm1       .436 ppm2      6.848 CV     1
  ASSI {  165}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 27   and name HZ  ))
       3.000     1.100     1.100 peak   165 spectrum    1 weight   .10000E+01 volume   .12250E-02 ppm1       .433 ppm2      7.083 CV     1
  ASSI {  166}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 19   and name HN  ))
       2.500      .800      .800 peak   166 spectrum    1 weight   .10000E+01 volume   .33374E-02 ppm1      1.876 ppm2      8.416 CV     1
  OR {  166}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  167}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 20   and name HN  ))
       2.700      .900      .900 peak   167 spectrum    1 weight   .10000E+01 volume   .20369E-02 ppm1      1.876 ppm2      8.138 CV     1
  OR {  167}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {  168}
    (( segid "    " and resid 19   and name HG2 ))
    (  segid "    " and resid 27   and name HD% )
       3.100     1.200     1.200 peak   168 spectrum    1 weight   .10000E+01 volume   .93836E-03 ppm1      1.882 ppm2      6.793 CV     1
  OR {  168}
    (( segid "    " and resid 19   and name HG3 ))
    (  segid "    " and resid 27   and name HD% )
  ASSI {  170}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 27   and name HZ  ))
       2.800     1.000     1.000 peak   170 spectrum    1 weight   .10000E+01 volume   .18677E-02 ppm1      1.882 ppm2      7.080 CV     1
  OR {  170}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 27   and name HZ  ))
  ASSI {  171}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       2.600      .800      .800 peak   171 spectrum    1 weight   .10000E+01 volume   .28249E-02 ppm1      8.414 ppm2      8.530 CV     1
  ASSI {  174}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.900     1.000     1.000 peak   174 spectrum    1 weight   .10000E+01 volume   .14458E-02 ppm1      4.952 ppm2      8.139 CV     1
  ASSI {  175}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       2.200      .600      .600 peak   175 spectrum    1 weight   .10000E+01 volume   .69416E-02 ppm1      4.954 ppm2      9.185 CV     1
  ASSI {  177}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 26   and name HG2%)
       3.000     1.100     1.100 peak   177 spectrum    1 weight   .10000E+01 volume   .10821E-02 ppm1      4.953 ppm2       .570 CV     1
  ASSI {  178}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 27   and name HD% )
       2.900     1.100     1.100 peak   178 spectrum    1 weight   .10000E+01 volume   .12986E-02 ppm1      4.952 ppm2      6.789 CV     1
  ASSI {  179}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 27   and name HE% )
       3.400     1.400     1.400 peak   179 spectrum    1 weight   .10000E+01 volume   .54281E-03 ppm1      4.952 ppm2      6.847 CV     1
  ASSI {  180}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.500      .800      .800 peak   180 spectrum    1 weight   .10000E+01 volume   .30521E-02 ppm1      4.951 ppm2      8.529 CV     1
  ASSI {  181}
    (( segid "    " and resid 20   and name HB  ))
    (  segid "    " and resid 20   and name HG2%)
       2.200      .600      .600 peak   181 spectrum    1 weight   .10000E+01 volume   .70914E-02 ppm1      3.806 ppm2      1.122 CV     1
  ASSI {  182}
    (( segid "    " and resid 20   and name HB  ))
    (( segid "    " and resid 20   and name HN  ))
       2.700      .900      .900 peak   182 spectrum    1 weight   .10000E+01 volume   .22176E-02 ppm1      3.803 ppm2      8.139 CV     1
  ASSI {  183}
    (( segid "    " and resid 20   and name HB  ))
    (( segid "    " and resid 21   and name HN  ))
       2.900     1.000     1.000 peak   183 spectrum    1 weight   .10000E+01 volume   .13877E-02 ppm1      3.807 ppm2      9.185 CV     1
  ASSI {  184}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 20   and name HN  ))
       2.700      .900      .900 peak   184 spectrum    1 weight   .10000E+01 volume   .21149E-02 ppm1      1.121 ppm2      8.139 CV     1
  ASSI {  185}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 21   and name HN  ))
       2.400      .700      .700 peak   185 spectrum    1 weight   .10000E+01 volume   .41962E-02 ppm1      1.121 ppm2      9.187 CV     1
  ASSI {  186}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 24   and name HN  ))
       2.600      .800      .800 peak   186 spectrum    1 weight   .10000E+01 volume   .27298E-02 ppm1      1.121 ppm2      8.179 CV     1
  ASSI {  187}
    (  segid "    " and resid 20   and name HG2%)
    (  segid "    " and resid 26   and name HG2%)
       3.100     1.200     1.200 peak   187 spectrum    1 weight   .10000E+01 volume   .97434E-03 ppm1      1.123 ppm2       .569 CV     1
  ASSI {  188}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       3.000     1.100     1.100 peak   188 spectrum    1 weight   .10000E+01 volume   .10820E-02 ppm1      1.120 ppm2      8.331 CV     1
  ASSI {  189}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       2.500      .800      .800 peak   189 spectrum    1 weight   .10000E+01 volume   .31216E-02 ppm1      1.121 ppm2      8.529 CV     1
  ASSI {  190}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 27   and name HZ  ))
       2.900     1.100     1.100 peak   190 spectrum    1 weight   .10000E+01 volume   .12520E-02 ppm1      1.122 ppm2      7.077 CV     1
  ASSI {  191}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       3.200     1.300     1.300 peak   191 spectrum    1 weight   .10000E+01 volume   .76637E-03 ppm1      4.818 ppm2      9.185 CV     1
  ASSI {  192}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.100     1.200     1.200 peak   192 spectrum    1 weight   .10000E+01 volume   .84538E-03 ppm1      4.819 ppm2      9.093 CV     1
  ASSI {  193}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HB3 ))
       3.000     1.100     1.100 peak   193 spectrum    1 weight   .10000E+01 volume   .11339E-02 ppm1      3.283 ppm2      2.673 CV     1
  ASSI {  194}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       3.100     1.200     1.200 peak   194 spectrum    1 weight   .10000E+01 volume   .96067E-03 ppm1      3.278 ppm2      9.186 CV     1
  ASSI {  195}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       2.500      .800      .800 peak   195 spectrum    1 weight   .10000E+01 volume   .31795E-02 ppm1      3.280 ppm2      9.093 CV     1
  ASSI {  196}
    (( segid "    " and resid 21   and name HB2 ))
    (  segid "    " and resid 27   and name HD% )
       3.100     1.200     1.200 peak   196 spectrum    1 weight   .10000E+01 volume   .10079E-02 ppm1      3.277 ppm2      6.793 CV     1
  ASSI {  197}
    (( segid "    " and resid 21   and name HB2 ))
    (  segid "    " and resid 27   and name HE% )
       3.000     1.100     1.100 peak   197 spectrum    1 weight   .10000E+01 volume   .10725E-02 ppm1      3.277 ppm2      6.847 CV     1
  ASSI {  198}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       3.000     1.100     1.100 peak   198 spectrum    1 weight   .10000E+01 volume   .11708E-02 ppm1      2.675 ppm2      9.186 CV     1
  ASSI {  199}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.600      .900      .900 peak   199 spectrum    1 weight   .10000E+01 volume   .24427E-02 ppm1      2.674 ppm2      9.093 CV     1
  ASSI {  200}
    (( segid "    " and resid 21   and name HB3 ))
    (  segid "    " and resid 27   and name HD% )
       2.900     1.000     1.000 peak   200 spectrum    1 weight   .10000E+01 volume   .15178E-02 ppm1      2.669 ppm2      6.792 CV     1
  ASSI {  201}
    (( segid "    " and resid 21   and name HB3 ))
    (  segid "    " and resid 27   and name HE% )
       2.900     1.100     1.100 peak   201 spectrum    1 weight   .10000E+01 volume   .13453E-02 ppm1      2.669 ppm2      6.847 CV     1
  ASSI {  202}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
       3.100     1.200     1.200 peak   202 spectrum    1 weight   .10000E+01 volume   .99786E-03 ppm1      9.189 ppm2      9.091 CV     1
  ASSI {  203}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       3.200     1.300     1.300 peak   203 spectrum    1 weight   .10000E+01 volume   .75517E-03 ppm1      9.186 ppm2      8.414 CV     1
  ASSI {  204}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       3.300     1.300     1.300 peak   204 spectrum    1 weight   .10000E+01 volume   .68836E-03 ppm1      9.190 ppm2      8.176 CV     1
  ASSI {  207}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.600      .800      .800 peak   207 spectrum    1 weight   .10000E+01 volume   .26975E-02 ppm1      4.155 ppm2      9.094 CV     1
  ASSI {  208}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       3.100     1.200     1.200 peak   208 spectrum    1 weight   .10000E+01 volume   .88900E-03 ppm1      4.159 ppm2      8.415 CV     1
  ASSI {  209}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       2.400      .700      .700 peak   209 spectrum    1 weight   .10000E+01 volume   .38763E-02 ppm1      2.052 ppm2      9.094 CV     1
  OR {  209}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  210}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       3.100     1.200     1.200 peak   210 spectrum    1 weight   .10000E+01 volume   .90181E-03 ppm1      2.044 ppm2      8.414 CV     1
  OR {  210}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  211}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.500      .800      .800 peak   211 spectrum    1 weight   .10000E+01 volume   .30411E-02 ppm1      2.243 ppm2      9.094 CV     1
  OR {  211}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  212}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 23   and name HD21))
       3.200     1.300     1.300 peak   212 spectrum    1 weight   .10000E+01 volume   .81649E-03 ppm1      2.244 ppm2      7.768 CV     1
  OR {  212}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 23   and name HD21))
  ASSI {  213}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 23   and name HD22))
       3.100     1.200     1.200 peak   213 spectrum    1 weight   .10000E+01 volume   .96298E-03 ppm1      2.243 ppm2      6.912 CV     1
  OR {  213}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 23   and name HD22))
  ASSI {  214}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 23   and name HN  ))
       2.900     1.100     1.100 peak   214 spectrum    1 weight   .10000E+01 volume   .12984E-02 ppm1      2.244 ppm2      8.414 CV     1
  OR {  214}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  217}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       2.600      .900      .900 peak   217 spectrum    1 weight   .10000E+01 volume   .24697E-02 ppm1      4.922 ppm2      8.414 CV     1
  ASSI {  218}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   218 spectrum    1 weight   .10000E+01 volume   .17764E-02 ppm1      4.925 ppm2      8.178 CV     1
  ASSI {  219}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HB3 ))
       2.000      .500      .500 peak   219 spectrum    1 weight   .10000E+01 volume   .11570E-01 ppm1      2.998 ppm2      2.773 CV     1
  ASSI {  220}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HD21))
       2.700      .900      .900 peak   220 spectrum    1 weight   .10000E+01 volume   .23243E-02 ppm1      2.991 ppm2      7.767 CV     1
  ASSI {  221}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HD22))
       2.900     1.000     1.000 peak   221 spectrum    1 weight   .10000E+01 volume   .14367E-02 ppm1      2.999 ppm2      6.912 CV     1
  ASSI {  222}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       2.700      .900      .900 peak   222 spectrum    1 weight   .10000E+01 volume   .21973E-02 ppm1      2.999 ppm2      8.414 CV     1
  ASSI {  223}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
       3.400     1.500     1.500 peak   223 spectrum    1 weight   .10000E+01 volume   .51516E-03 ppm1      2.998 ppm2      8.180 CV     1
  ASSI {  224}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       3.300     1.400     1.400 peak   224 spectrum    1 weight   .10000E+01 volume   .63852E-03 ppm1      2.999 ppm2      8.531 CV     1
  ASSI {  225}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HD21))
       2.500      .800      .800 peak   225 spectrum    1 weight   .10000E+01 volume   .33711E-02 ppm1      2.777 ppm2      7.767 CV     1
  ASSI {  226}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HD22))
       2.700      .900      .900 peak   226 spectrum    1 weight   .10000E+01 volume   .21026E-02 ppm1      2.777 ppm2      6.912 CV     1
  ASSI {  227}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
       2.500      .800      .800 peak   227 spectrum    1 weight   .10000E+01 volume   .32157E-02 ppm1      2.777 ppm2      8.414 CV     1
  ASSI {  228}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       3.100     1.200     1.200 peak   228 spectrum    1 weight   .10000E+01 volume   .86537E-03 ppm1      2.778 ppm2      8.181 CV     1
  ASSI {  229}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       3.000     1.100     1.100 peak   229 spectrum    1 weight   .10000E+01 volume   .10563E-02 ppm1      2.776 ppm2      8.530 CV     1
  ASSI {  230}
    (( segid "    " and resid 23   and name HD21))
    (( segid "    " and resid 23   and name HN  ))
       3.300     1.400     1.400 peak   230 spectrum    1 weight   .10000E+01 volume   .63447E-03 ppm1      7.768 ppm2      8.413 CV     1
  ASSI {  231}
    (( segid "    " and resid 23   and name HD22))
    (( segid "    " and resid 23   and name HD21))
       1.700      .400      .500 peak   231 spectrum    1 weight   .10000E+01 volume   .34904E-01 ppm1      6.912 ppm2      7.768 CV     1
  ASSI {  232}
    (( segid "    " and resid 23   and name HD22))
    (( segid "    " and resid 23   and name HN  ))
       3.400     1.500     1.500 peak   232 spectrum    1 weight   .10000E+01 volume   .51228E-03 ppm1      6.914 ppm2      8.415 CV     1
  ASSI {  233}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 22   and name HN  ))
       2.800      .900      .900 peak   233 spectrum    1 weight   .10000E+01 volume   .18965E-02 ppm1      8.413 ppm2      9.094 CV     1
  ASSI {  234}
    (( segid "    " and resid 24   and name HA1 ))
    (  segid "    " and resid 20   and name HG2%)
       2.400      .700      .700 peak   234 spectrum    1 weight   .10000E+01 volume   .38931E-02 ppm1      4.194 ppm2      1.120 CV     1
  ASSI {  236}
    (( segid "    " and resid 24   and name HA1 ))
    (( segid "    " and resid 24   and name HN  ))
       2.500      .800      .800 peak   236 spectrum    1 weight   .10000E+01 volume   .30540E-02 ppm1      4.200 ppm2      8.179 CV     1
  ASSI {  237}
    (( segid "    " and resid 24   and name HA1 ))
    (( segid "    " and resid 25   and name HN  ))
       3.100     1.200     1.200 peak   237 spectrum    1 weight   .10000E+01 volume   .92718E-03 ppm1      4.204 ppm2      8.530 CV     1
  ASSI {  238}
    (( segid "    " and resid 24   and name HA2 ))
    (  segid "    " and resid 20   and name HG2%)
       2.500      .800      .800 peak   238 spectrum    1 weight   .10000E+01 volume   .36449E-02 ppm1      3.566 ppm2      1.120 CV     1
  ASSI {  239}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 24   and name HN  ))
       2.300      .700      .700 peak   239 spectrum    1 weight   .10000E+01 volume   .48929E-02 ppm1      3.566 ppm2      8.179 CV     1
  ASSI {  240}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 25   and name HN  ))
       3.000     1.100     1.100 peak   240 spectrum    1 weight   .10000E+01 volume   .12271E-02 ppm1      3.566 ppm2      8.530 CV     1
  ASSI {  241}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       2.300      .700      .700 peak   241 spectrum    1 weight   .10000E+01 volume   .53107E-02 ppm1      8.180 ppm2      8.413 CV     1
  ASSI {  242}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       2.400      .700      .700 peak   242 spectrum    1 weight   .10000E+01 volume   .44100E-02 ppm1      8.180 ppm2      8.531 CV     1
  ASSI {  243}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
       2.400      .700      .700 peak   243 spectrum    1 weight   .10000E+01 volume   .47808E-02 ppm1      4.465 ppm2      2.332 CV     1
  OR {  243}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HB3 ))
  ASSI {  244}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HG2 ))
       3.100     1.200     1.200 peak   244 spectrum    1 weight   .10000E+01 volume   .87296E-03 ppm1      4.465 ppm2      2.442 CV     1
  OR {  244}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HG3 ))
  ASSI {  245}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       2.100      .600      .600 peak   245 spectrum    1 weight   .10000E+01 volume   .96358E-02 ppm1      4.478 ppm2      8.530 CV     1
  ASSI {  246}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       3.300     1.400     1.400 peak   246 spectrum    1 weight   .10000E+01 volume   .58203E-03 ppm1      2.332 ppm2      9.188 CV     1
  OR {  246}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  247}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HE21))
       2.800     1.000     1.000 peak   247 spectrum    1 weight   .10000E+01 volume   .15656E-02 ppm1      2.333 ppm2      7.635 CV     1
  OR {  247}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HE21))
  ASSI {  248}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HE22))
       3.300     1.300     1.300 peak   248 spectrum    1 weight   .10000E+01 volume   .69597E-03 ppm1      2.332 ppm2      6.836 CV     1
  OR {  248}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HE22))
  ASSI {  249}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       2.200      .600      .600 peak   249 spectrum    1 weight   .10000E+01 volume   .79405E-02 ppm1      2.331 ppm2      8.530 CV     1
  OR {  249}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  250}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.400      .700      .700 peak   250 spectrum    1 weight   .10000E+01 volume   .41199E-02 ppm1      2.331 ppm2      8.332 CV     1
  OR {  250}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  251}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 38   and name HD% )
       2.800     1.000     1.000 peak   251 spectrum    1 weight   .10000E+01 volume   .17489E-02 ppm1      2.329 ppm2      7.325 CV     1
  OR {  251}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 38   and name HD% )
  ASSI {  252}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 38   and name HE% )
       2.400      .700      .700 peak   252 spectrum    1 weight   .10000E+01 volume   .42104E-02 ppm1      2.329 ppm2      6.607 CV     1
  OR {  252}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 38   and name HE% )
  ASSI {  253}
    (( segid "    " and resid 25   and name HE22))
    (( segid "    " and resid 25   and name HE21))
       1.600      .300      .600 peak   253 spectrum    1 weight   .10000E+01 volume   .57561E-01 ppm1      6.834 ppm2      7.636 CV     1
  ASSI {  254}
    (( segid "    " and resid 25   and name HG3 ))
    (( segid "    " and resid 25   and name HE21))
       3.200     1.300     1.300 peak   254 spectrum    1 weight   .10000E+01 volume   .81303E-03 ppm1      2.439 ppm2      7.635 CV     1
  OR {  254}
    (( segid "    " and resid 25   and name HG2 ))
    (( segid "    " and resid 25   and name HE21))
  ASSI {  255}
    (( segid "    " and resid 25   and name HG3 ))
    (( segid "    " and resid 25   and name HE22))
       3.300     1.400     1.400 peak   255 spectrum    1 weight   .10000E+01 volume   .61496E-03 ppm1      2.443 ppm2      6.835 CV     1
  OR {  255}
    (( segid "    " and resid 25   and name HG2 ))
    (( segid "    " and resid 25   and name HE22))
  ASSI {  256}
    (( segid "    " and resid 25   and name HG2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.900     1.000     1.000 peak   256 spectrum    1 weight   .10000E+01 volume   .15103E-02 ppm1      2.443 ppm2      8.530 CV     1
  OR {  256}
    (( segid "    " and resid 25   and name HG3 ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  257}
    (( segid "    " and resid 25   and name HG3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.100     1.200     1.200 peak   257 spectrum    1 weight   .10000E+01 volume   .84512E-03 ppm1      2.444 ppm2      8.333 CV     1
  OR {  257}
    (( segid "    " and resid 25   and name HG2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  258}
    (( segid "    " and resid 25   and name HG3 ))
    (  segid "    " and resid 38   and name HD% )
       3.400     1.500     1.500 peak   258 spectrum    1 weight   .10000E+01 volume   .50618E-03 ppm1      2.443 ppm2      7.325 CV     1
  OR {  258}
    (( segid "    " and resid 25   and name HG2 ))
    (  segid "    " and resid 38   and name HD% )
  ASSI {  260}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.700      .900      .900 peak   260 spectrum    1 weight   .10000E+01 volume   .19958E-02 ppm1      8.531 ppm2      9.185 CV     1
  ASSI {  261}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HB  ))
       2.600      .900      .900 peak   261 spectrum    1 weight   .10000E+01 volume   .24089E-02 ppm1      4.477 ppm2      1.776 CV     1
  ASSI {  262}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 26   and name HG1%)
       2.300      .700      .700 peak   262 spectrum    1 weight   .10000E+01 volume   .49315E-02 ppm1      4.478 ppm2       .877 CV     1
  ASSI {  263}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 26   and name HG2%)
       2.500      .800      .800 peak   263 spectrum    1 weight   .10000E+01 volume   .37333E-02 ppm1      4.480 ppm2       .569 CV     1
  ASSI {  264}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 27   and name HD% )
       3.100     1.200     1.200 peak   264 spectrum    1 weight   .10000E+01 volume   .98869E-03 ppm1      4.479 ppm2      6.792 CV     1
  ASSI {  265}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 27   and name HE% )
       3.200     1.300     1.300 peak   265 spectrum    1 weight   .10000E+01 volume   .78603E-03 ppm1      4.479 ppm2      6.847 CV     1
  ASSI {  266}
    (( segid "    " and resid 26   and name HB  ))
    (  segid "    " and resid 26   and name HG1%)
       2.300      .600      .600 peak   266 spectrum    1 weight   .10000E+01 volume   .59492E-02 ppm1      1.775 ppm2       .875 CV     1
  ASSI {  267}
    (( segid "    " and resid 26   and name HB  ))
    (  segid "    " and resid 26   and name HG2%)
       2.200      .600      .600 peak   267 spectrum    1 weight   .10000E+01 volume   .80282E-02 ppm1      1.773 ppm2       .571 CV     1
  ASSI {  268}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 26   and name HN  ))
       2.200      .600      .600 peak   268 spectrum    1 weight   .10000E+01 volume   .68817E-02 ppm1      1.772 ppm2      8.330 CV     1
  ASSI {  269}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 27   and name HN  ))
       2.800     1.000     1.000 peak   269 spectrum    1 weight   .10000E+01 volume   .16764E-02 ppm1      1.772 ppm2      8.529 CV     1
  ASSI {  270}
    (  segid "    " and resid 26   and name HG1%)
    (( segid "    " and resid 18   and name HE21))
       2.800     1.000     1.000 peak   270 spectrum    1 weight   .10000E+01 volume   .17630E-02 ppm1       .873 ppm2      7.069 CV     1
  ASSI {  271}
    (  segid "    " and resid 26   and name HG1%)
    (( segid "    " and resid 18   and name HE22))
       2.900     1.100     1.100 peak   271 spectrum    1 weight   .10000E+01 volume   .12729E-02 ppm1       .873 ppm2      6.769 CV     1
  ASSI {  272}
    (  segid "    " and resid 26   and name HG1%)
    (( segid "    " and resid 21   and name HN  ))
       3.500     1.500     1.500 peak   272 spectrum    1 weight   .10000E+01 volume   .43815E-03 ppm1       .876 ppm2      9.185 CV     1
  ASSI {  273}
    (  segid "    " and resid 26   and name HG1%)
    (  segid "    " and resid 26   and name HG2%)
       1.900      .500      .500 peak   273 spectrum    1 weight   .10000E+01 volume   .15062E-01 ppm1       .875 ppm2       .569 CV     1
  ASSI {  274}
    (  segid "    " and resid 26   and name HG1%)
    (( segid "    " and resid 26   and name HN  ))
       2.100      .600      .600 peak   274 spectrum    1 weight   .10000E+01 volume   .86411E-02 ppm1       .871 ppm2      8.330 CV     1
  ASSI {  275}
    (  segid "    " and resid 26   and name HG1%)
    (( segid "    " and resid 27   and name HN  ))
       2.600      .800      .800 peak   275 spectrum    1 weight   .10000E+01 volume   .29737E-02 ppm1       .871 ppm2      8.529 CV     1
  ASSI {  276}
    (  segid "    " and resid 26   and name HG1%)
    (  segid "    " and resid 28   and name HD% )
       3.100     1.200     1.200 peak   276 spectrum    1 weight   .10000E+01 volume   .94392E-03 ppm1       .873 ppm2      6.965 CV     1
  ASSI {  277}
    (  segid "    " and resid 26   and name HG1%)
    (  segid "    " and resid 28   and name HE% )
       2.500      .800      .800 peak   277 spectrum    1 weight   .10000E+01 volume   .32725E-02 ppm1       .873 ppm2      7.168 CV     1
  ASSI {  278}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 18   and name HE21))
       2.700      .900      .900 peak   278 spectrum    1 weight   .10000E+01 volume   .19108E-02 ppm1       .566 ppm2      7.070 CV     1
  ASSI {  279}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 18   and name HE22))
       2.800     1.000     1.000 peak   279 spectrum    1 weight   .10000E+01 volume   .15400E-02 ppm1       .565 ppm2      6.769 CV     1
  ASSI {  280}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 21   and name HN  ))
       3.300     1.400     1.400 peak   280 spectrum    1 weight   .10000E+01 volume   .61587E-03 ppm1       .566 ppm2      9.186 CV     1
  ASSI {  281}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       2.500      .800      .800 peak   281 spectrum    1 weight   .10000E+01 volume   .32413E-02 ppm1       .566 ppm2      8.330 CV     1
  ASSI {  282}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       2.300      .700      .700 peak   282 spectrum    1 weight   .10000E+01 volume   .51826E-02 ppm1       .566 ppm2      8.529 CV     1
  ASSI {  283}
    (  segid "    " and resid 26   and name HG2%)
    (  segid "    " and resid 28   and name HD% )
       2.800     1.000     1.000 peak   283 spectrum    1 weight   .10000E+01 volume   .17938E-02 ppm1       .563 ppm2      6.966 CV     1
  ASSI {  284}
    (  segid "    " and resid 26   and name HG2%)
    (  segid "    " and resid 28   and name HE% )
       2.300      .700      .700 peak   284 spectrum    1 weight   .10000E+01 volume   .57394E-02 ppm1       .565 ppm2      7.168 CV     1
  ASSI {  285}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 26   and name HG2%)
       3.100     1.200     1.200 peak   285 spectrum    1 weight   .10000E+01 volume   .97920E-03 ppm1      4.394 ppm2       .571 CV     1
  ASSI {  286}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
       2.400      .700      .700 peak   286 spectrum    1 weight   .10000E+01 volume   .45824E-02 ppm1      4.394 ppm2      2.270 CV     1
  ASSI {  287}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HB3 ))
       2.700      .900      .900 peak   287 spectrum    1 weight   .10000E+01 volume   .23549E-02 ppm1      4.394 ppm2      2.153 CV     1
  ASSI {  288}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 27   and name HD% )
       2.900     1.000     1.000 peak   288 spectrum    1 weight   .10000E+01 volume   .14561E-02 ppm1      4.393 ppm2      6.791 CV     1
  ASSI {  289}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 27   and name HE% )
       3.400     1.500     1.500 peak   289 spectrum    1 weight   .10000E+01 volume   .49903E-03 ppm1      4.395 ppm2      6.847 CV     1
  ASSI {  290}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.800     1.000     1.000 peak   290 spectrum    1 weight   .10000E+01 volume   .15893E-02 ppm1      4.394 ppm2      8.529 CV     1
  ASSI {  291}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 28   and name HD% )
       2.600      .900      .900 peak   291 spectrum    1 weight   .10000E+01 volume   .25689E-02 ppm1      4.393 ppm2      6.965 CV     1
  ASSI {  292}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 28   and name HE% )
       2.800     1.000     1.000 peak   292 spectrum    1 weight   .10000E+01 volume   .17246E-02 ppm1      4.388 ppm2      7.168 CV     1
  ASSI {  293}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.500      .800      .800 peak   293 spectrum    1 weight   .10000E+01 volume   .31992E-02 ppm1      4.395 ppm2      8.931 CV     1
  ASSI {  294}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 38   and name HD% )
       3.000     1.100     1.100 peak   294 spectrum    1 weight   .10000E+01 volume   .11305E-02 ppm1      4.393 ppm2      7.323 CV     1
  ASSI {  295}
    (( segid "    " and resid 27   and name HB2 ))
    (  segid "    " and resid 27   and name HD% )
       2.600      .800      .800 peak   295 spectrum    1 weight   .10000E+01 volume   .28238E-02 ppm1      2.265 ppm2      6.791 CV     1
  ASSI {  297}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       3.100     1.200     1.200 peak   297 spectrum    1 weight   .10000E+01 volume   .98809E-03 ppm1      2.267 ppm2      8.529 CV     1
  ASSI {  298}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.700      .900      .900 peak   298 spectrum    1 weight   .10000E+01 volume   .23149E-02 ppm1      2.264 ppm2      8.936 CV     1
  ASSI {  299}
    (( segid "    " and resid 27   and name HB2 ))
    (  segid "    " and resid 38   and name HD% )
       3.200     1.300     1.300 peak   299 spectrum    1 weight   .10000E+01 volume   .79881E-03 ppm1      2.265 ppm2      7.325 CV     1
  ASSI {  300}
    (( segid "    " and resid 27   and name HB2 ))
    (  segid "    " and resid 38   and name HE% )
       3.100     1.200     1.200 peak   300 spectrum    1 weight   .10000E+01 volume   .91007E-03 ppm1      2.265 ppm2      6.607 CV     1
  ASSI {  301}
    (( segid "    " and resid 27   and name HB3 ))
    (  segid "    " and resid 27   and name HD% )
       2.600      .800      .800 peak   301 spectrum    1 weight   .10000E+01 volume   .26569E-02 ppm1      2.154 ppm2      6.791 CV     1
  ASSI {  302}
    (( segid "    " and resid 27   and name HB3 ))
    (  segid "    " and resid 27   and name HE% )
       3.300     1.300     1.300 peak   302 spectrum    1 weight   .10000E+01 volume   .65993E-03 ppm1      2.155 ppm2      6.846 CV     1
  ASSI {  303}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.100     1.200     1.200 peak   303 spectrum    1 weight   .10000E+01 volume   .85802E-03 ppm1      2.155 ppm2      8.529 CV     1
  ASSI {  304}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       2.800     1.000     1.000 peak   304 spectrum    1 weight   .10000E+01 volume   .17157E-02 ppm1      2.153 ppm2      8.936 CV     1
  ASSI {  305}
    (( segid "    " and resid 27   and name HB3 ))
    (  segid "    " and resid 38   and name HD% )
       3.000     1.100     1.100 peak   305 spectrum    1 weight   .10000E+01 volume   .10957E-02 ppm1      2.154 ppm2      7.323 CV     1
  ASSI {  306}
    (( segid "    " and resid 27   and name HB3 ))
    (  segid "    " and resid 38   and name HE% )
       3.100     1.200     1.200 peak   306 spectrum    1 weight   .10000E+01 volume   .84736E-03 ppm1      2.157 ppm2      6.606 CV     1
  ASSI {  307}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 19   and name HN  ))
       3.300     1.400     1.400 peak   307 spectrum    1 weight   .10000E+01 volume   .60127E-03 ppm1      6.790 ppm2      8.417 CV     1
  ASSI {  308}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 22   and name HN  ))
       3.400     1.400     1.400 peak   308 spectrum    1 weight   .10000E+01 volume   .52825E-03 ppm1      6.790 ppm2      9.092 CV     1
  ASSI {  309}
    (  segid "    " and resid 27   and name HD% )
    (  segid "    " and resid 27   and name HE% )
       1.800      .400      .400 peak   309 spectrum    1 weight   .10000E+01 volume   .23188E-01 ppm1      6.790 ppm2      6.845 CV     1
  ASSI {  310}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 27   and name HN  ))
       2.700      .900      .900 peak   310 spectrum    1 weight   .10000E+01 volume   .23031E-02 ppm1      6.790 ppm2      8.529 CV     1
  ASSI {  311}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 28   and name HN  ))
       2.800     1.000     1.000 peak   311 spectrum    1 weight   .10000E+01 volume   .17569E-02 ppm1      6.790 ppm2      8.930 CV     1
  ASSI {  312}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 37   and name HN  ))
       3.200     1.300     1.300 peak   312 spectrum    1 weight   .10000E+01 volume   .74369E-03 ppm1      6.790 ppm2      9.338 CV     1
  ASSI {  313}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 19   and name HN  ))
       3.600     1.600     1.600 peak   313 spectrum    1 weight   .10000E+01 volume   .37657E-03 ppm1      6.846 ppm2      8.417 CV     1
  ASSI {  314}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 22   and name HN  ))
       3.300     1.400     1.400 peak   314 spectrum    1 weight   .10000E+01 volume   .64106E-03 ppm1      6.847 ppm2      9.092 CV     1
  ASSI {  315}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 27   and name HN  ))
       3.200     1.200     1.200 peak   315 spectrum    1 weight   .10000E+01 volume   .82200E-03 ppm1      6.846 ppm2      8.529 CV     1
  ASSI {  316}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 27   and name HZ  ))
       2.000      .500      .500 peak   316 spectrum    1 weight   .10000E+01 volume   .12869E-01 ppm1      6.847 ppm2      7.082 CV     1
  ASSI {  317}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 28   and name HN  ))
       3.100     1.200     1.200 peak   317 spectrum    1 weight   .10000E+01 volume   .94402E-03 ppm1      6.845 ppm2      8.930 CV     1
  ASSI {  318}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 37   and name HN  ))
       3.100     1.200     1.200 peak   318 spectrum    1 weight   .10000E+01 volume   .87140E-03 ppm1      6.845 ppm2      9.338 CV     1
  ASSI {  319}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 16   and name HE3 ))
       3.200     1.300     1.300 peak   319 spectrum    1 weight   .10000E+01 volume   .72478E-03 ppm1      5.250 ppm2      7.345 CV     1
  ASSI {  320}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 16   and name HZ3 ))
       3.400     1.500     1.500 peak   320 spectrum    1 weight   .10000E+01 volume   .49852E-03 ppm1      5.256 ppm2      6.850 CV     1
  ASSI {  321}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       3.300     1.400     1.400 peak   321 spectrum    1 weight   .10000E+01 volume   .60265E-03 ppm1      5.248 ppm2      1.870 CV     1
  OR {  321}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI {  322}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       3.000     1.100     1.100 peak   322 spectrum    1 weight   .10000E+01 volume   .10809E-02 ppm1      5.256 ppm2      8.415 CV     1
  ASSI {  325}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 28   and name HD% )
       2.600      .900      .900 peak   325 spectrum    1 weight   .10000E+01 volume   .26049E-02 ppm1      5.251 ppm2      6.964 CV     1
  ASSI {  326}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       3.200     1.300     1.300 peak   326 spectrum    1 weight   .10000E+01 volume   .78548E-03 ppm1      5.256 ppm2      8.936 CV     1
  ASSI {  327}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 29   and name HG1%)
       3.100     1.200     1.200 peak   327 spectrum    1 weight   .10000E+01 volume   .85459E-03 ppm1      5.256 ppm2       .673 CV     1
  ASSI {  328}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.500      .800      .800 peak   328 spectrum    1 weight   .10000E+01 volume   .30282E-02 ppm1      5.256 ppm2      9.185 CV     1
  ASSI {  329}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 16   and name HE3 ))
       2.500      .800      .800 peak   329 spectrum    1 weight   .10000E+01 volume   .35997E-02 ppm1      3.156 ppm2      7.343 CV     1
  ASSI {  330}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 16   and name HZ3 ))
       2.800     1.000     1.000 peak   330 spectrum    1 weight   .10000E+01 volume   .18221E-02 ppm1      3.154 ppm2      6.847 CV     1
  ASSI {  331}
    (( segid "    " and resid 28   and name HB2 ))
    (  segid "    " and resid 28   and name HD% )
       2.300      .700      .700 peak   331 spectrum    1 weight   .10000E+01 volume   .53277E-02 ppm1      3.153 ppm2      6.966 CV     1
  ASSI {  332}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       3.100     1.200     1.200 peak   332 spectrum    1 weight   .10000E+01 volume   .95408E-03 ppm1      3.155 ppm2      8.936 CV     1
  ASSI {  333}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
       3.100     1.200     1.200 peak   333 spectrum    1 weight   .10000E+01 volume   .94001E-03 ppm1      3.156 ppm2      9.183 CV     1
  ASSI {  334}
    (( segid "    " and resid 28   and name HB2 ))
    (  segid "    " and resid 37   and name HG2%)
       2.600      .900      .900 peak   334 spectrum    1 weight   .10000E+01 volume   .23916E-02 ppm1      3.155 ppm2      1.450 CV     1
  ASSI {  335}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 16   and name HE3 ))
       2.700      .900      .900 peak   335 spectrum    1 weight   .10000E+01 volume   .20366E-02 ppm1      3.032 ppm2      7.343 CV     1
  ASSI {  338}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       2.900     1.100     1.100 peak   338 spectrum    1 weight   .10000E+01 volume   .12731E-02 ppm1      3.027 ppm2      8.937 CV     1
  ASSI {  339}
    (( segid "    " and resid 28   and name HB3 ))
    (  segid "    " and resid 37   and name HG2%)
       2.500      .800      .800 peak   339 spectrum    1 weight   .10000E+01 volume   .31187E-02 ppm1      3.029 ppm2      1.450 CV     1
  ASSI {  340}
    (  segid "    " and resid 28   and name HD% )
    (( segid "    " and resid 19   and name HN  ))
       3.200     1.300     1.300 peak   340 spectrum    1 weight   .10000E+01 volume   .76398E-03 ppm1      6.963 ppm2      8.415 CV     1
  ASSI {  341}
    (  segid "    " and resid 28   and name HD% )
    (  segid "    " and resid 28   and name HE% )
       2.000      .500      .500 peak   341 spectrum    1 weight   .10000E+01 volume   .14939E-01 ppm1      6.961 ppm2      7.173 CV     1
  ASSI {  342}
    (  segid "    " and resid 28   and name HD% )
    (( segid "    " and resid 28   and name HN  ))
       2.500      .800      .800 peak   342 spectrum    1 weight   .10000E+01 volume   .31323E-02 ppm1      6.965 ppm2      8.933 CV     1
  ASSI {  344}
    (  segid "    " and resid 28   and name HD% )
    (( segid "    " and resid 29   and name HN  ))
       3.100     1.200     1.200 peak   344 spectrum    1 weight   .10000E+01 volume   .94633E-03 ppm1      6.961 ppm2      9.185 CV     1
  ASSI {  345}
    (  segid "    " and resid 28   and name HD% )
    (( segid "    " and resid 39   and name HN  ))
       3.200     1.300     1.300 peak   345 spectrum    1 weight   .10000E+01 volume   .77404E-03 ppm1      6.962 ppm2      8.559 CV     1
  ASSI {  346}
    (  segid "    " and resid 28   and name HE% )
    (( segid "    " and resid 28   and name HN  ))
       3.200     1.300     1.300 peak   346 spectrum    1 weight   .10000E+01 volume   .76244E-03 ppm1      7.169 ppm2      8.934 CV     1
  ASSI {  347}
    (  segid "    " and resid 28   and name HE% )
    (( segid "    " and resid 40   and name HN  ))
       2.700      .900      .900 peak   347 spectrum    1 weight   .10000E+01 volume   .20033E-02 ppm1      7.168 ppm2      8.090 CV     1
  ASSI {  348}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       3.000     1.100     1.100 peak   348 spectrum    1 weight   .10000E+01 volume   .10876E-02 ppm1      8.932 ppm2      9.339 CV     1
  ASSI {  349}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HB  ))
       3.000     1.100     1.100 peak   349 spectrum    1 weight   .10000E+01 volume   .11748E-02 ppm1      4.470 ppm2      1.676 CV     1
  ASSI {  350}
    (( segid "    " and resid 29   and name HA  ))
    (  segid "    " and resid 29   and name HG1%)
       2.500      .800      .800 peak   350 spectrum    1 weight   .10000E+01 volume   .34392E-02 ppm1      4.472 ppm2       .673 CV     1
  ASSI {  351}
    (( segid "    " and resid 29   and name HA  ))
    (  segid "    " and resid 29   and name HG2%)
       2.500      .800      .800 peak   351 spectrum    1 weight   .10000E+01 volume   .30629E-02 ppm1      4.472 ppm2       .347 CV     1
  ASSI {  352}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.400      .700      .700 peak   352 spectrum    1 weight   .10000E+01 volume   .47647E-02 ppm1      4.479 ppm2      8.298 CV     1
  ASSI {  353}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.200     1.300     1.300 peak   353 spectrum    1 weight   .10000E+01 volume   .72500E-03 ppm1      4.479 ppm2      9.341 CV     1
  ASSI {  355}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 17   and name HN  ))
       3.100     1.200     1.200 peak   355 spectrum    1 weight   .10000E+01 volume   .84612E-03 ppm1      1.676 ppm2      9.285 CV     1
  ASSI {  356}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 29   and name HG1%)
       2.200      .600      .600 peak   356 spectrum    1 weight   .10000E+01 volume   .72444E-02 ppm1      1.675 ppm2       .675 CV     1
  ASSI {  357}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 29   and name HG2%)
       2.200      .600      .600 peak   357 spectrum    1 weight   .10000E+01 volume   .70932E-02 ppm1      1.675 ppm2       .348 CV     1
  ASSI {  358}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700      .900      .900 peak   358 spectrum    1 weight   .10000E+01 volume   .20745E-02 ppm1      1.676 ppm2      9.186 CV     1
  ASSI {  359}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 31   and name HD2 ))
       3.100     1.200     1.200 peak   359 spectrum    1 weight   .10000E+01 volume   .94232E-03 ppm1      1.677 ppm2      6.934 CV     1
  ASSI {  360}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 17   and name HN  ))
       3.300     1.400     1.400 peak   360 spectrum    1 weight   .10000E+01 volume   .60268E-03 ppm1       .671 ppm2      9.284 CV     1
  ASSI {  361}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 19   and name HB3 ))
       3.300     1.300     1.300 peak   361 spectrum    1 weight   .10000E+01 volume   .69323E-03 ppm1       .671 ppm2       .436 CV     1
  ASSI {  362}
    (  segid "    " and resid 29   and name HG1%)
    (  segid "    " and resid 27   and name HD% )
       2.500      .800      .800 peak   362 spectrum    1 weight   .10000E+01 volume   .34416E-02 ppm1       .672 ppm2      6.792 CV     1
  ASSI {  363}
    (  segid "    " and resid 29   and name HG1%)
    (  segid "    " and resid 27   and name HE% )
       2.300      .700      .700 peak   363 spectrum    1 weight   .10000E+01 volume   .55222E-02 ppm1       .672 ppm2      6.846 CV     1
  ASSI {  364}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 27   and name HZ  ))
       2.800     1.000     1.000 peak   364 spectrum    1 weight   .10000E+01 volume   .15870E-02 ppm1       .672 ppm2      7.083 CV     1
  ASSI {  365}
    (  segid "    " and resid 29   and name HG1%)
    (  segid "    " and resid 29   and name HG2%)
       2.000      .500      .500 peak   365 spectrum    1 weight   .10000E+01 volume   .13663E-01 ppm1       .673 ppm2       .347 CV     1
  ASSI {  366}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 29   and name HN  ))
       2.700      .900      .900 peak   366 spectrum    1 weight   .10000E+01 volume   .23588E-02 ppm1       .670 ppm2      9.186 CV     1
  ASSI {  367}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 30   and name HN  ))
       2.800      .900      .900 peak   367 spectrum    1 weight   .10000E+01 volume   .18765E-02 ppm1       .674 ppm2      8.297 CV     1
  ASSI {  368}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 31   and name HD2 ))
       3.300     1.400     1.400 peak   368 spectrum    1 weight   .10000E+01 volume   .62853E-03 ppm1       .675 ppm2      6.935 CV     1
  ASSI {  369}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 31   and name HE1 ))
       2.900     1.000     1.000 peak   369 spectrum    1 weight   .10000E+01 volume   .14071E-02 ppm1       .676 ppm2      8.096 CV     1
  ASSI {  370}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 35   and name HN  ))
       3.500     1.500     1.500 peak   370 spectrum    1 weight   .10000E+01 volume   .44261E-03 ppm1       .676 ppm2      7.457 CV     1
  ASSI {  371}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       3.100     1.200     1.200 peak   371 spectrum    1 weight   .10000E+01 volume   .97242E-03 ppm1       .344 ppm2      9.285 CV     1
  ASSI {  372}
    (  segid "    " and resid 29   and name HG2%)
    (  segid "    " and resid 27   and name HD% )
       3.200     1.300     1.300 peak   372 spectrum    1 weight   .10000E+01 volume   .82019E-03 ppm1       .343 ppm2      6.792 CV     1
  ASSI {  374}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   374 spectrum    1 weight   .10000E+01 volume   .16616E-02 ppm1       .342 ppm2      9.186 CV     1
  ASSI {  375}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
       2.500      .800      .800 peak   375 spectrum    1 weight   .10000E+01 volume   .31030E-02 ppm1       .343 ppm2      8.297 CV     1
  ASSI {  376}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 31   and name HD2 ))
       2.700      .900      .900 peak   376 spectrum    1 weight   .10000E+01 volume   .22836E-02 ppm1       .343 ppm2      6.934 CV     1
  ASSI {  377}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 31   and name HE1 ))
       2.400      .700      .700 peak   377 spectrum    1 weight   .10000E+01 volume   .42689E-02 ppm1       .347 ppm2      8.096 CV     1
  ASSI {  378}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 31   and name HN  ))
       3.100     1.200     1.200 peak   378 spectrum    1 weight   .10000E+01 volume   .10090E-02 ppm1       .343 ppm2      8.628 CV     1
  ASSI {  379}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.500     1.500 peak   379 spectrum    1 weight   .10000E+01 volume   .49167E-03 ppm1       .344 ppm2      7.456 CV     1
  ASSI {  380}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       3.000     1.200     1.200 peak   380 spectrum    1 weight   .10000E+01 volume   .10258E-02 ppm1      9.186 ppm2      9.285 CV     1
  ASSI {  381}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 16   and name HE3 ))
       2.800     1.000     1.000 peak   381 spectrum    1 weight   .10000E+01 volume   .17199E-02 ppm1      3.778 ppm2      7.346 CV     1
  ASSI {  382}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       3.200     1.300     1.300 peak   382 spectrum    1 weight   .10000E+01 volume   .75134E-03 ppm1      3.777 ppm2      9.290 CV     1
  ASSI {  385}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       3.000     1.100     1.100 peak   385 spectrum    1 weight   .10000E+01 volume   .11546E-02 ppm1      3.777 ppm2      8.298 CV     1
  ASSI {  386}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.300      .700      .700 peak   386 spectrum    1 weight   .10000E+01 volume   .54621E-02 ppm1      3.776 ppm2      8.625 CV     1
  ASSI {  387}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 16   and name HZ2 ))
       3.400     1.400     1.400 peak   387 spectrum    1 weight   .10000E+01 volume   .53284E-03 ppm1      1.899 ppm2      7.394 CV     1
  ASSI {  388}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HB3 ))
       2.700      .900      .900 peak   388 spectrum    1 weight   .10000E+01 volume   .22189E-02 ppm1      1.892 ppm2       .122 CV     1
  ASSI {  389}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       2.700      .900      .900 peak   389 spectrum    1 weight   .10000E+01 volume   .21260E-02 ppm1      1.897 ppm2      8.299 CV     1
  ASSI {  390}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.800     1.000     1.000 peak   390 spectrum    1 weight   .10000E+01 volume   .16224E-02 ppm1      1.898 ppm2      7.462 CV     1
  ASSI {  391}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 16   and name HZ2 ))
       3.200     1.300     1.300 peak   391 spectrum    1 weight   .10000E+01 volume   .74043E-03 ppm1       .109 ppm2      7.396 CV     1
  ASSI {  392}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       2.900     1.100     1.100 peak   392 spectrum    1 weight   .10000E+01 volume   .12990E-02 ppm1       .118 ppm2      8.299 CV     1
  ASSI {  393}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
       3.200     1.300     1.300 peak   393 spectrum    1 weight   .10000E+01 volume   .80212E-03 ppm1       .106 ppm2      7.460 CV     1
  ASSI {  394}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       3.300     1.400     1.400 peak   394 spectrum    1 weight   .10000E+01 volume   .59012E-03 ppm1      8.296 ppm2      8.624 CV     1
  ASSI {  395}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 29   and name HG2%)
       3.200     1.300     1.300 peak   395 spectrum    1 weight   .10000E+01 volume   .76491E-03 ppm1      4.266 ppm2       .348 CV     1
  ASSI {  397}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.700      .900      .900 peak   397 spectrum    1 weight   .10000E+01 volume   .19125E-02 ppm1      4.267 ppm2      8.625 CV     1
  ASSI {  398}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.000     1.100     1.100 peak   398 spectrum    1 weight   .10000E+01 volume   .11493E-02 ppm1      4.266 ppm2      8.132 CV     1
  ASSI {  399}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.100     1.200     1.200 peak   399 spectrum    1 weight   .10000E+01 volume   .93373E-03 ppm1      4.266 ppm2      7.440 CV     1
  ASSI {  400}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 29   and name HG2%)
       3.200     1.300     1.300 peak   400 spectrum    1 weight   .10000E+01 volume   .74780E-03 ppm1      3.084 ppm2       .348 CV     1
  OR {  400}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 29   and name HG2%)
  ASSI {  401}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HD2 ))
       2.300      .700      .700 peak   401 spectrum    1 weight   .10000E+01 volume   .49399E-02 ppm1      3.088 ppm2      6.935 CV     1
  OR {  401}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HD2 ))
  ASSI {  402}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       2.300      .600      .600 peak   402 spectrum    1 weight   .10000E+01 volume   .59263E-02 ppm1      3.088 ppm2      8.625 CV     1
  OR {  402}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  403}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 32   and name HD1%)
       3.100     1.200     1.200 peak   403 spectrum    1 weight   .10000E+01 volume   .93131E-03 ppm1      3.088 ppm2       .767 CV     1
  OR {  403}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 32   and name HD1%)
  ASSI {  404}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       2.800     1.000     1.000 peak   404 spectrum    1 weight   .10000E+01 volume   .15802E-02 ppm1      3.088 ppm2      8.132 CV     1
  OR {  404}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  405}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.300     1.400     1.400 peak   405 spectrum    1 weight   .10000E+01 volume   .62472E-03 ppm1      6.930 ppm2      9.283 CV     1
  ASSI {  406}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.000     1.000 peak   406 spectrum    1 weight   .10000E+01 volume   .15128E-02 ppm1      6.931 ppm2      8.625 CV     1
  ASSI {  407}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.600      .800      .800 peak   407 spectrum    1 weight   .10000E+01 volume   .26299E-02 ppm1      3.882 ppm2      8.132 CV     1
  ASSI {  409}
    (( segid "    " and resid 32   and name HB  ))
    (  segid "    " and resid 32   and name HD1%)
       2.600      .900      .900 peak   409 spectrum    1 weight   .10000E+01 volume   .25494E-02 ppm1      1.990 ppm2       .764 CV     1
  ASSI {  410}
    (( segid "    " and resid 32   and name HB  ))
    (  segid "    " and resid 32   and name HG2%)
       2.100      .500      .500 peak   410 spectrum    1 weight   .10000E+01 volume   .97647E-02 ppm1      1.989 ppm2       .798 CV     1
  ASSI {  411}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 32   and name HN  ))
       2.300      .700      .700 peak   411 spectrum    1 weight   .10000E+01 volume   .51975E-02 ppm1      1.987 ppm2      8.132 CV     1
  ASSI {  412}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 33   and name HD21))
       3.300     1.400     1.400 peak   412 spectrum    1 weight   .10000E+01 volume   .59010E-03 ppm1      1.983 ppm2      8.991 CV     1
  ASSI {  413}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 33   and name HD22))
       3.200     1.300     1.300 peak   413 spectrum    1 weight   .10000E+01 volume   .81531E-03 ppm1      1.986 ppm2      6.998 CV     1
  ASSI {  414}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 33   and name HN  ))
       2.500      .800      .800 peak   414 spectrum    1 weight   .10000E+01 volume   .32402E-02 ppm1      1.988 ppm2      7.663 CV     1
  ASSI {  415}
    (  segid "    " and resid 32   and name HD1%)
    (  segid "    " and resid 14   and name HD% )
       2.600      .900      .900 peak   415 spectrum    1 weight   .10000E+01 volume   .24273E-02 ppm1       .766 ppm2      7.117 CV     1
  ASSI {  416}
    (  segid "    " and resid 32   and name HD1%)
    (  segid "    " and resid 14   and name HE% )
       2.600      .800      .800 peak   416 spectrum    1 weight   .10000E+01 volume   .26781E-02 ppm1       .766 ppm2      6.813 CV     1
  ASSI {  417}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 31   and name HN  ))
       3.300     1.400     1.400 peak   417 spectrum    1 weight   .10000E+01 volume   .61055E-03 ppm1       .771 ppm2      8.626 CV     1
  ASSI {  418}
    (  segid "    " and resid 32   and name HD1%)
    (( segid "    " and resid 32   and name HN  ))
       2.800     1.000     1.000 peak   418 spectrum    1 weight   .10000E+01 volume   .18102E-02 ppm1       .766 ppm2      8.131 CV     1
  ASSI {  419}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 32   and name HN  ))
       2.600      .900      .900 peak   419 spectrum    1 weight   .10000E+01 volume   .23938E-02 ppm1      1.434 ppm2      8.132 CV     1
  ASSI {  420}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 33   and name HN  ))
       3.500     1.500     1.500 peak   420 spectrum    1 weight   .10000E+01 volume   .46028E-03 ppm1      1.432 ppm2      7.663 CV     1
  ASSI {  421}
    (( segid "    " and resid 32   and name HG13))
    (  segid "    " and resid 32   and name HD1%)
       2.400      .700      .700 peak   421 spectrum    1 weight   .10000E+01 volume   .45610E-02 ppm1      1.175 ppm2       .764 CV     1
  ASSI {  422}
    (( segid "    " and resid 32   and name HG13))
    (  segid "    " and resid 32   and name HG2%)
       2.500      .800      .800 peak   422 spectrum    1 weight   .10000E+01 volume   .31755E-02 ppm1      1.175 ppm2       .799 CV     1
  ASSI {  423}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 32   and name HN  ))
       2.600      .800      .800 peak   423 spectrum    1 weight   .10000E+01 volume   .26382E-02 ppm1      1.170 ppm2      8.132 CV     1
  ASSI {  424}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 33   and name HN  ))
       3.300     1.300     1.300 peak   424 spectrum    1 weight   .10000E+01 volume   .68257E-03 ppm1      1.176 ppm2      7.662 CV     1
  ASSI {  425}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 32   and name HN  ))
       2.500      .800      .800 peak   425 spectrum    1 weight   .10000E+01 volume   .30966E-02 ppm1       .787 ppm2      8.131 CV     1
  ASSI {  426}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 33   and name HD21))
       3.100     1.200     1.200 peak   426 spectrum    1 weight   .10000E+01 volume   .95148E-03 ppm1       .795 ppm2      8.988 CV     1
  ASSI {  427}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 33   and name HD22))
       2.700      .900      .900 peak   427 spectrum    1 weight   .10000E+01 volume   .19973E-02 ppm1       .797 ppm2      6.997 CV     1
  ASSI {  428}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
       2.700      .900      .900 peak   428 spectrum    1 weight   .10000E+01 volume   .20850E-02 ppm1       .793 ppm2      7.662 CV     1
  ASSI {  429}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.600      .800      .800 peak   429 spectrum    1 weight   .10000E+01 volume   .27385E-02 ppm1      8.131 ppm2      8.624 CV     1
  ASSI {  430}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       6.000     4.900      .000 peak   430 spectrum    1 weight   .10000E+01 volume   .13549E-04 ppm1      4.567 ppm2      7.662 CV     1
  ASSI {  431}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HD21))
       2.700      .900      .900 peak   431 spectrum    1 weight   .10000E+01 volume   .19988E-02 ppm1      2.566 ppm2      8.990 CV     1
  ASSI {  432}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HD22))
       2.800     1.000     1.000 peak   432 spectrum    1 weight   .10000E+01 volume   .16827E-02 ppm1      2.565 ppm2      6.999 CV     1
  ASSI {  433}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       2.800     1.000     1.000 peak   433 spectrum    1 weight   .10000E+01 volume   .16458E-02 ppm1      2.565 ppm2      7.662 CV     1
  ASSI {  434}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       3.200     1.300     1.300 peak   434 spectrum    1 weight   .10000E+01 volume   .77402E-03 ppm1      2.564 ppm2      7.439 CV     1
  ASSI {  435}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HD21))
       2.700      .900      .900 peak   435 spectrum    1 weight   .10000E+01 volume   .22533E-02 ppm1      2.321 ppm2      8.990 CV     1
  ASSI {  436}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HD22))
       2.700      .900      .900 peak   436 spectrum    1 weight   .10000E+01 volume   .20958E-02 ppm1      2.319 ppm2      6.999 CV     1
  ASSI {  437}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
       2.800     1.000     1.000 peak   437 spectrum    1 weight   .10000E+01 volume   .17014E-02 ppm1      2.320 ppm2      7.662 CV     1
  ASSI {  438}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       3.200     1.300     1.300 peak   438 spectrum    1 weight   .10000E+01 volume   .69711E-03 ppm1      2.321 ppm2      7.437 CV     1
  ASSI {  439}
    (( segid "    " and resid 33   and name HD22))
    (( segid "    " and resid 33   and name HD21))
       2.100      .500      .500 peak   439 spectrum    1 weight   .10000E+01 volume   .10755E-01 ppm1      6.997 ppm2      8.990 CV     1
  ASSI {  440}
    (( segid "    " and resid 33   and name HD22))
    (( segid "    " and resid 33   and name HN  ))
       3.100     1.200     1.200 peak   440 spectrum    1 weight   .10000E+01 volume   .99449E-03 ppm1      6.995 ppm2      7.665 CV     1
  ASSI {  441}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       2.400      .700      .700 peak   441 spectrum    1 weight   .10000E+01 volume   .39433E-02 ppm1      7.657 ppm2      8.130 CV     1
  ASSI {  442}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 33   and name HD21))
       3.000     1.100     1.100 peak   442 spectrum    1 weight   .10000E+01 volume   .10847E-02 ppm1      7.661 ppm2      8.990 CV     1
  ASSI {  444}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.400      .700      .700 peak   444 spectrum    1 weight   .10000E+01 volume   .46203E-02 ppm1      3.889 ppm2      7.462 CV     1
  ASSI {  445}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.100     1.100 peak   445 spectrum    1 weight   .10000E+01 volume   .13035E-02 ppm1      1.654 ppm2      7.440 CV     1
  ASSI {  446}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       3.100     1.200     1.200 peak   446 spectrum    1 weight   .10000E+01 volume   .84437E-03 ppm1      1.655 ppm2      7.462 CV     1
  ASSI {  447}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.100     1.100 peak   447 spectrum    1 weight   .10000E+01 volume   .12935E-02 ppm1      1.537 ppm2      7.440 CV     1
  ASSI {  448}
    (( segid "    " and resid 34   and name HD3 ))
    (( segid "    " and resid 34   and name HN  ))
       3.000     1.100     1.100 peak   448 spectrum    1 weight   .10000E+01 volume   .11162E-02 ppm1      2.046 ppm2      7.440 CV     1
  OR {  448}
    (( segid "    " and resid 34   and name HD2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  449}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.000     1.000 peak   449 spectrum    1 weight   .10000E+01 volume   .14134E-02 ppm1      1.191 ppm2      7.439 CV     1
  OR {  449}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  450}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   450 spectrum    1 weight   .10000E+01 volume   .90078E-03 ppm1      7.437 ppm2      8.130 CV     1
  ASSI {  451}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       2.500      .800      .800 peak   451 spectrum    1 weight   .10000E+01 volume   .31433E-02 ppm1      7.439 ppm2      7.660 CV     1
  ASSI {  452}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       2.000      .500      .500 peak   452 spectrum    1 weight   .10000E+01 volume   .13077E-01 ppm1      7.441 ppm2      7.465 CV     1
  ASSI {  453}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.900     1.900     1.900 peak   453 spectrum    1 weight   .10000E+01 volume   .23408E-03 ppm1      4.811 ppm2      7.462 CV     1
  ASSI {  454}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.100     1.100 peak   454 spectrum    1 weight   .10000E+01 volume   .10568E-02 ppm1      1.787 ppm2      7.462 CV     1
  ASSI {  455}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       2.600      .900      .900 peak   455 spectrum    1 weight   .10000E+01 volume   .23904E-02 ppm1      1.788 ppm2      8.413 CV     1
  ASSI {  456}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.100     1.100 peak   456 spectrum    1 weight   .10000E+01 volume   .11981E-02 ppm1      1.582 ppm2      7.462 CV     1
  ASSI {  457}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       2.800     1.000     1.000 peak   457 spectrum    1 weight   .10000E+01 volume   .16832E-02 ppm1      1.578 ppm2      8.413 CV     1
  ASSI {  458}
    (( segid "    " and resid 35   and name HD3 ))
    (( segid "    " and resid 16   and name HZ2 ))
       3.300     1.300     1.300 peak   458 spectrum    1 weight   .10000E+01 volume   .67529E-03 ppm1      3.149 ppm2      7.393 CV     1
  OR {  458}
    (( segid "    " and resid 35   and name HD2 ))
    (( segid "    " and resid 16   and name HZ2 ))
  ASSI {  459}
    (( segid "    " and resid 35   and name HD3 ))
    (( segid "    " and resid 35   and name HN  ))
       3.300     1.400     1.400 peak   459 spectrum    1 weight   .10000E+01 volume   .60993E-03 ppm1      3.149 ppm2      7.459 CV     1
  OR {  459}
    (( segid "    " and resid 35   and name HD2 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  460}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.700      .900      .900 peak   460 spectrum    1 weight   .10000E+01 volume   .20684E-02 ppm1      1.386 ppm2      7.462 CV     1
  OR {  460}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  461}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       2.900     1.100     1.100 peak   461 spectrum    1 weight   .10000E+01 volume   .12913E-02 ppm1      7.462 ppm2      8.297 CV     1
  ASSI {  462}
    (( segid "    " and resid 36   and name HA  ))
    (  segid "    " and resid 27   and name HD% )
       3.300     1.400     1.400 peak   462 spectrum    1 weight   .10000E+01 volume   .58141E-03 ppm1      5.422 ppm2      6.786 CV     1
  ASSI {  463}
    (( segid "    " and resid 36   and name HA  ))
    (  segid "    " and resid 27   and name HE% )
       3.200     1.200     1.200 peak   463 spectrum    1 weight   .10000E+01 volume   .83489E-03 ppm1      5.421 ppm2      6.849 CV     1
  ASSI {  466}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.900     1.000     1.000 peak   466 spectrum    1 weight   .10000E+01 volume   .14923E-02 ppm1      5.421 ppm2      8.298 CV     1
  ASSI {  468}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.900     1.000     1.000 peak   468 spectrum    1 weight   .10000E+01 volume   .14075E-02 ppm1      5.423 ppm2      8.413 CV     1
  ASSI {  470}
    (( segid "    " and resid 36   and name HA  ))
    (  segid "    " and resid 37   and name HG2%)
       2.900     1.100     1.100 peak   470 spectrum    1 weight   .10000E+01 volume   .13790E-02 ppm1      5.422 ppm2      1.449 CV     1
  ASSI {  471}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.400      .700      .700 peak   471 spectrum    1 weight   .10000E+01 volume   .40193E-02 ppm1      5.422 ppm2      9.339 CV     1
  ASSI {  472}
    (( segid "    " and resid 36   and name HB  ))
    (  segid "    " and resid 27   and name HD% )
       2.700      .900      .900 peak   472 spectrum    1 weight   .10000E+01 volume   .22576E-02 ppm1      4.046 ppm2      6.792 CV     1
  ASSI {  473}
    (( segid "    " and resid 36   and name HB  ))
    (  segid "    " and resid 27   and name HE% )
       3.000     1.200     1.200 peak   473 spectrum    1 weight   .10000E+01 volume   .10530E-02 ppm1      4.045 ppm2      6.847 CV     1
  ASSI {  474}
    (( segid "    " and resid 36   and name HB  ))
    (  segid "    " and resid 29   and name HG1%)
       3.100     1.200     1.200 peak   474 spectrum    1 weight   .10000E+01 volume   .93236E-03 ppm1      4.047 ppm2       .673 CV     1
  ASSI {  475}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 36   and name HN  ))
       2.900     1.000     1.000 peak   475 spectrum    1 weight   .10000E+01 volume   .15114E-02 ppm1      4.044 ppm2      8.414 CV     1
  ASSI {  476}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 37   and name HN  ))
       2.700      .900      .900 peak   476 spectrum    1 weight   .10000E+01 volume   .20712E-02 ppm1      4.044 ppm2      9.340 CV     1
  ASSI {  477}
    (  segid "    " and resid 36   and name HG2%)
    (  segid "    " and resid 27   and name HD% )
       2.300      .700      .700 peak   477 spectrum    1 weight   .10000E+01 volume   .49723E-02 ppm1      1.122 ppm2      6.792 CV     1
  ASSI {  478}
    (  segid "    " and resid 36   and name HG2%)
    (  segid "    " and resid 27   and name HE% )
       2.400      .700      .700 peak   478 spectrum    1 weight   .10000E+01 volume   .45679E-02 ppm1      1.122 ppm2      6.847 CV     1
  ASSI {  479}
    (  segid "    " and resid 36   and name HG2%)
    (  segid "    " and resid 29   and name HG1%)
       2.200      .600      .600 peak   479 spectrum    1 weight   .10000E+01 volume   .71665E-02 ppm1      1.124 ppm2       .673 CV     1
  ASSI {  480}
    (  segid "    " and resid 36   and name HG2%)
    (  segid "    " and resid 29   and name HG2%)
       2.500      .800      .800 peak   480 spectrum    1 weight   .10000E+01 volume   .36707E-02 ppm1      1.126 ppm2       .348 CV     1
  ASSI {  481}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 36   and name HN  ))
       2.600      .800      .800 peak   481 spectrum    1 weight   .10000E+01 volume   .29779E-02 ppm1      1.121 ppm2      8.413 CV     1
  ASSI {  482}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 37   and name HN  ))
       2.700      .900      .900 peak   482 spectrum    1 weight   .10000E+01 volume   .21384E-02 ppm1      1.124 ppm2      9.338 CV     1
  ASSI {  483}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 38   and name HN  ))
       3.400     1.500     1.500 peak   483 spectrum    1 weight   .10000E+01 volume   .50820E-03 ppm1      1.124 ppm2      8.926 CV     1
  ASSI {  485}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       3.200     1.300     1.300 peak   485 spectrum    1 weight   .10000E+01 volume   .76688E-03 ppm1      4.895 ppm2      9.341 CV     1
  ASSI {  486}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 38   and name HD% )
       3.300     1.400     1.400 peak   486 spectrum    1 weight   .10000E+01 volume   .62177E-03 ppm1      4.893 ppm2      7.322 CV     1
  ASSI {  487}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       2.600      .800      .800 peak   487 spectrum    1 weight   .10000E+01 volume   .27345E-02 ppm1      4.896 ppm2      8.921 CV     1
  ASSI {  488}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.100     1.200     1.200 peak   488 spectrum    1 weight   .10000E+01 volume   .92934E-03 ppm1      4.897 ppm2      8.559 CV     1
  ASSI {  489}
    (( segid "    " and resid 37   and name HB  ))
    (  segid "    " and resid 37   and name HG2%)
       2.200      .600      .600 peak   489 spectrum    1 weight   .10000E+01 volume   .72630E-02 ppm1      4.434 ppm2      1.451 CV     1
  ASSI {  490}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 37   and name HN  ))
       3.100     1.200     1.200 peak   490 spectrum    1 weight   .10000E+01 volume   .88467E-03 ppm1      4.455 ppm2      9.341 CV     1
  ASSI {  491}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 16   and name HH2 ))
       2.200      .600      .600 peak   491 spectrum    1 weight   .10000E+01 volume   .72714E-02 ppm1      1.451 ppm2      6.972 CV     1
  ASSI {  492}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 16   and name HZ2 ))
       2.900     1.100     1.100 peak   492 spectrum    1 weight   .10000E+01 volume   .13713E-02 ppm1      1.450 ppm2      7.392 CV     1
  ASSI {  493}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 16   and name HZ3 ))
       2.300      .600      .600 peak   493 spectrum    1 weight   .10000E+01 volume   .58779E-02 ppm1      1.451 ppm2      6.846 CV     1
  ASSI {  494}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 37   and name HN  ))
       2.400      .700      .700 peak   494 spectrum    1 weight   .10000E+01 volume   .38850E-02 ppm1      1.449 ppm2      9.341 CV     1
  ASSI {  495}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 38   and name HN  ))
       2.600      .900      .900 peak   495 spectrum    1 weight   .10000E+01 volume   .24679E-02 ppm1      1.448 ppm2      8.926 CV     1
  ASSI {  496}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       3.100     1.200     1.200 peak   496 spectrum    1 weight   .10000E+01 volume   .90490E-03 ppm1      4.756 ppm2      8.931 CV     1
  ASSI {  497}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.100     1.100 peak   497 spectrum    1 weight   .10000E+01 volume   .10821E-02 ppm1      4.756 ppm2      8.923 CV     1
  ASSI {  498}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.400     1.400 peak   498 spectrum    1 weight   .10000E+01 volume   .59303E-03 ppm1      4.757 ppm2      8.563 CV     1
  ASSI {  499}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HB3 ))
       2.300      .600      .600 peak   499 spectrum    1 weight   .10000E+01 volume   .62818E-02 ppm1      3.356 ppm2      2.893 CV     1
  ASSI {  500}
    (( segid "    " and resid 38   and name HB2 ))
    (  segid "    " and resid 38   and name HD% )
       2.300      .700      .700 peak   500 spectrum    1 weight   .10000E+01 volume   .54845E-02 ppm1      3.355 ppm2      7.323 CV     1
  ASSI {  501}
    (( segid "    " and resid 38   and name HB2 ))
    (  segid "    " and resid 38   and name HE% )
       3.300     1.300     1.300 peak   501 spectrum    1 weight   .10000E+01 volume   .69235E-03 ppm1      3.355 ppm2      6.600 CV     1
  ASSI {  502}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HN  ))
       2.800     1.000     1.000 peak   502 spectrum    1 weight   .10000E+01 volume   .16918E-02 ppm1      3.356 ppm2      8.923 CV     1
  ASSI {  503}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.500     1.600     1.600 peak   503 spectrum    1 weight   .10000E+01 volume   .41214E-03 ppm1      3.358 ppm2      8.563 CV     1
  ASSI {  504}
    (( segid "    " and resid 38   and name HB3 ))
    (  segid "    " and resid 38   and name HD% )
       2.400      .700      .700 peak   504 spectrum    1 weight   .10000E+01 volume   .46122E-02 ppm1      2.892 ppm2      7.323 CV     1
  ASSI {  505}
    (( segid "    " and resid 38   and name HB3 ))
    (  segid "    " and resid 38   and name HE% )
       3.300     1.300     1.300 peak   505 spectrum    1 weight   .10000E+01 volume   .67077E-03 ppm1      2.890 ppm2      6.600 CV     1
  ASSI {  506}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HN  ))
       2.700      .900      .900 peak   506 spectrum    1 weight   .10000E+01 volume   .19728E-02 ppm1      2.894 ppm2      8.923 CV     1
  ASSI {  507}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.300     1.300 peak   507 spectrum    1 weight   .10000E+01 volume   .67344E-03 ppm1      2.893 ppm2      8.563 CV     1
  ASSI {  508}
    (  segid "    " and resid 38   and name HD% )
    (( segid "    " and resid 38   and name HN  ))
       2.600      .800      .800 peak   508 spectrum    1 weight   .10000E+01 volume   .27717E-02 ppm1      7.321 ppm2      8.921 CV     1
  ASSI {  509}
    (  segid "    " and resid 38   and name HE% )
    (  segid "    " and resid 27   and name HD% )
       3.200     1.200     1.200 peak   509 spectrum    1 weight   .10000E+01 volume   .82780E-03 ppm1      6.601 ppm2      6.793 CV     1
  ASSI {  510}
    (  segid "    " and resid 38   and name HE% )
    (  segid "    " and resid 38   and name HD% )
       1.900      .400      .400 peak   510 spectrum    1 weight   .10000E+01 volume   .18953E-01 ppm1      6.600 ppm2      7.323 CV     1
  ASSI {  511}
    (  segid "    " and resid 38   and name HE% )
    (( segid "    " and resid 38   and name HN  ))
       3.400     1.400     1.400 peak   511 spectrum    1 weight   .10000E+01 volume   .56995E-03 ppm1      6.601 ppm2      8.924 CV     1
  ASSI {  512}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB2 ))
       2.400      .700      .700 peak   512 spectrum    1 weight   .10000E+01 volume   .41377E-02 ppm1      4.383 ppm2      1.452 CV     1
  OR {  512}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB3 ))
  ASSI {  513}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 39   and name HD1%)
       2.500      .800      .800 peak   513 spectrum    1 weight   .10000E+01 volume   .33237E-02 ppm1      4.383 ppm2       .844 CV     1
  ASSI {  514}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 39   and name HD2%)
       2.400      .700      .700 peak   514 spectrum    1 weight   .10000E+01 volume   .43541E-02 ppm1      4.382 ppm2       .782 CV     1
  ASSI {  515}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HG  ))
       2.700      .900      .900 peak   515 spectrum    1 weight   .10000E+01 volume   .23270E-02 ppm1      4.383 ppm2      1.503 CV     1
  ASSI {  516}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.700      .900      .900 peak   516 spectrum    1 weight   .10000E+01 volume   .23013E-02 ppm1      4.383 ppm2      8.563 CV     1
  ASSI {  517}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       2.000      .500      .500 peak   517 spectrum    1 weight   .10000E+01 volume   .11871E-01 ppm1      4.384 ppm2      8.088 CV     1
  ASSI {  518}
    (( segid "    " and resid 39   and name HB2 ))
    (  segid "    " and resid 39   and name HD1%)
       2.300      .600      .600 peak   518 spectrum    1 weight   .10000E+01 volume   .59041E-02 ppm1      1.452 ppm2       .839 CV     1
  OR {  518}
    (( segid "    " and resid 39   and name HB3 ))
    (  segid "    " and resid 39   and name HD1%)
  ASSI {  519}
    (( segid "    " and resid 39   and name HB3 ))
    (  segid "    " and resid 39   and name HD2%)
       2.200      .600      .600 peak   519 spectrum    1 weight   .10000E+01 volume   .69484E-02 ppm1      1.452 ppm2       .783 CV     1
  OR {  519}
    (( segid "    " and resid 39   and name HB2 ))
    (  segid "    " and resid 39   and name HD2%)
  ASSI {  520}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.200      .600      .600 peak   520 spectrum    1 weight   .10000E+01 volume   .78961E-02 ppm1      1.454 ppm2      8.563 CV     1
  OR {  520}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  521}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 40   and name HN  ))
       2.500      .800      .800 peak   521 spectrum    1 weight   .10000E+01 volume   .33851E-02 ppm1      1.454 ppm2      8.090 CV     1
  OR {  521}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  522}
    (  segid "    " and resid 39   and name HD1%)
    (( segid "    " and resid 39   and name HN  ))
       2.900     1.100     1.100 peak   522 spectrum    1 weight   .10000E+01 volume   .13554E-02 ppm1       .843 ppm2      8.563 CV     1
  ASSI {  523}
    (  segid "    " and resid 39   and name HD1%)
    (( segid "    " and resid 40   and name HN  ))
       2.600      .900      .900 peak   523 spectrum    1 weight   .10000E+01 volume   .26004E-02 ppm1       .843 ppm2      8.090 CV     1
  ASSI {  524}
    (  segid "    " and resid 39   and name HD2%)
    (( segid "    " and resid 39   and name HN  ))
       2.900     1.100     1.100 peak   524 spectrum    1 weight   .10000E+01 volume   .12479E-02 ppm1       .777 ppm2      8.563 CV     1
  ASSI {  525}
    (  segid "    " and resid 39   and name HD2%)
    (( segid "    " and resid 40   and name HN  ))
       2.700      .900      .900 peak   525 spectrum    1 weight   .10000E+01 volume   .23299E-02 ppm1       .779 ppm2      8.090 CV     1
  ASSI {  526}
    (( segid "    " and resid 39   and name HG  ))
    (  segid "    " and resid 39   and name HD1%)
       2.600      .900      .900 peak   526 spectrum    1 weight   .10000E+01 volume   .25479E-02 ppm1      1.499 ppm2       .839 CV     1
  ASSI {  527}
    (( segid "    " and resid 39   and name HG  ))
    (  segid "    " and resid 39   and name HD2%)
       2.800     1.000     1.000 peak   527 spectrum    1 weight   .10000E+01 volume   .16236E-02 ppm1      1.499 ppm2       .783 CV     1
  ASSI {  528}
    (( segid "    " and resid 39   and name HG  ))
    (( segid "    " and resid 39   and name HN  ))
       2.500      .800      .800 peak   528 spectrum    1 weight   .10000E+01 volume   .34851E-02 ppm1      1.495 ppm2      8.563 CV     1
  ASSI {  529}
    (( segid "    " and resid 39   and name HG  ))
    (( segid "    " and resid 40   and name HN  ))
       2.900     1.100     1.100 peak   529 spectrum    1 weight   .10000E+01 volume   .13349E-02 ppm1      1.497 ppm2      8.090 CV     1
  ASSI {  530}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       2.600      .800      .800 peak   530 spectrum    1 weight   .10000E+01 volume   .28088E-02 ppm1      8.562 ppm2      8.924 CV     1
  ASSI {  531}
    (( segid "    " and resid 40   and name HA  ))
    (  segid "    " and resid 28   and name HE% )
       2.600      .900      .900 peak   531 spectrum    1 weight   .10000E+01 volume   .25403E-02 ppm1      3.023 ppm2      7.170 CV     1
  ASSI {  532}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
       3.000     1.100     1.100 peak   532 spectrum    1 weight   .10000E+01 volume   .12196E-02 ppm1      3.023 ppm2      2.532 CV     1
  ASSI {  533}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HB3 ))
       3.300     1.400     1.400 peak   533 spectrum    1 weight   .10000E+01 volume   .59325E-03 ppm1      3.022 ppm2      2.293 CV     1
  ASSI {  534}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       2.700      .900      .900 peak   534 spectrum    1 weight   .10000E+01 volume   .21514E-02 ppm1      3.022 ppm2      8.091 CV     1
  ASSI {  535}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HB3 ))
       3.200     1.300     1.300 peak   535 spectrum    1 weight   .10000E+01 volume   .81485E-03 ppm1      3.022 ppm2       .703 CV     1
  ASSI {  536}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HD2 ))
       2.700      .900      .900 peak   536 spectrum    1 weight   .10000E+01 volume   .21292E-02 ppm1      3.024 ppm2      2.627 CV     1
  ASSI {  537}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HD3 ))
       2.600      .900      .900 peak   537 spectrum    1 weight   .10000E+01 volume   .25323E-02 ppm1      3.023 ppm2      2.461 CV     1
  ASSI {  538}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HG3 ))
       3.400     1.500     1.500 peak   538 spectrum    1 weight   .10000E+01 volume   .52528E-03 ppm1      3.024 ppm2       .270 CV     1
  ASSI {  539}
    (( segid "    " and resid 40   and name HB2 ))
    (  segid "    " and resid 28   and name HE% )
       2.900     1.000     1.000 peak   539 spectrum    1 weight   .10000E+01 volume   .14558E-02 ppm1      2.531 ppm2      7.169 CV     1
  ASSI {  540}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HB3 ))
       2.500      .800      .800 peak   540 spectrum    1 weight   .10000E+01 volume   .32801E-02 ppm1      2.537 ppm2      2.293 CV     1
  ASSI {  541}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
       2.300      .700      .700 peak   541 spectrum    1 weight   .10000E+01 volume   .52591E-02 ppm1      2.532 ppm2      8.091 CV     1
  ASSI {  542}
    (( segid "    " and resid 40   and name HB2 ))
    (  segid "    " and resid 43   and name HD1%)
       2.800      .900      .900 peak   542 spectrum    1 weight   .10000E+01 volume   .18824E-02 ppm1      2.531 ppm2       .878 CV     1
  ASSI {  543}
    (( segid "    " and resid 40   and name HB2 ))
    (  segid "    " and resid 43   and name HD2%)
       3.300     1.300     1.300 peak   543 spectrum    1 weight   .10000E+01 volume   .67091E-03 ppm1      2.532 ppm2       .734 CV     1
  ASSI {  544}
    (( segid "    " and resid 40   and name HB3 ))
    (  segid "    " and resid 28   and name HE% )
       2.700      .900      .900 peak   544 spectrum    1 weight   .10000E+01 volume   .21504E-02 ppm1      2.287 ppm2      7.168 CV     1
  ASSI {  545}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HN  ))
       2.300      .600      .600 peak   545 spectrum    1 weight   .10000E+01 volume   .59092E-02 ppm1      2.288 ppm2      8.091 CV     1
  ASSI {  546}
    (( segid "    " and resid 40   and name HB3 ))
    (  segid "    " and resid 43   and name HD1%)
       3.000     1.100     1.100 peak   546 spectrum    1 weight   .10000E+01 volume   .10856E-02 ppm1      2.300 ppm2       .877 CV     1
  ASSI {  547}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.000     1.100     1.100 peak   547 spectrum    1 weight   .10000E+01 volume   .11958E-02 ppm1      3.873 ppm2      8.388 CV     1
  ASSI {  548}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 43   and name HN  ))
       3.100     1.200     1.200 peak   548 spectrum    1 weight   .10000E+01 volume   .86578E-03 ppm1      3.877 ppm2      7.348 CV     1
  ASSI {  549}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       3.000     1.100     1.100 peak   549 spectrum    1 weight   .10000E+01 volume   .12013E-02 ppm1      3.879 ppm2      7.403 CV     1
  ASSI {  550}
    (( segid "    " and resid 41   and name HA  ))
    (  segid "    " and resid 45   and name HD% )
       3.300     1.400     1.400 peak   550 spectrum    1 weight   .10000E+01 volume   .64474E-03 ppm1      3.878 ppm2      7.171 CV     1
  ASSI {  551}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HG2 ))
       3.000     1.100     1.100 peak   551 spectrum    1 weight   .10000E+01 volume   .11921E-02 ppm1       .838 ppm2       .528 CV     1
  ASSI {  552}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HG3 ))
       2.900     1.100     1.100 peak   552 spectrum    1 weight   .10000E+01 volume   .12880E-02 ppm1       .838 ppm2       .275 CV     1
  ASSI {  553}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HG2 ))
       3.100     1.200     1.200 peak   553 spectrum    1 weight   .10000E+01 volume   .93796E-03 ppm1       .704 ppm2       .528 CV     1
  ASSI {  555}
    (( segid "    " and resid 41   and name HD2 ))
    (  segid "    " and resid 28   and name HD% )
       3.000     1.100     1.100 peak   555 spectrum    1 weight   .10000E+01 volume   .12457E-02 ppm1      2.622 ppm2      6.963 CV     1
  ASSI {  556}
    (( segid "    " and resid 41   and name HD2 ))
    (  segid "    " and resid 28   and name HE% )
       3.100     1.200     1.200 peak   556 spectrum    1 weight   .10000E+01 volume   .91205E-03 ppm1      2.622 ppm2      7.168 CV     1
  ASSI {  557}
    (( segid "    " and resid 41   and name HD2 ))
    (( segid "    " and resid 40   and name HN  ))
       3.200     1.300     1.300 peak   557 spectrum    1 weight   .10000E+01 volume   .71139E-03 ppm1      2.624 ppm2      8.088 CV     1
  ASSI {  558}
    (( segid "    " and resid 41   and name HD2 ))
    (( segid "    " and resid 42   and name HN  ))
       3.300     1.400     1.400 peak   558 spectrum    1 weight   .10000E+01 volume   .60164E-03 ppm1      2.624 ppm2      8.388 CV     1
  ASSI {  559}
    (( segid "    " and resid 41   and name HD3 ))
    (  segid "    " and resid 28   and name HD% )
       3.000     1.100     1.100 peak   559 spectrum    1 weight   .10000E+01 volume   .11038E-02 ppm1      2.465 ppm2      6.963 CV     1
  ASSI {  560}
    (( segid "    " and resid 41   and name HD3 ))
    (  segid "    " and resid 28   and name HE% )
       3.200     1.300     1.300 peak   560 spectrum    1 weight   .10000E+01 volume   .76300E-03 ppm1      2.465 ppm2      7.168 CV     1
  ASSI {  561}
    (( segid "    " and resid 41   and name HD3 ))
    (( segid "    " and resid 40   and name HN  ))
       3.400     1.500     1.500 peak   561 spectrum    1 weight   .10000E+01 volume   .50269E-03 ppm1      2.466 ppm2      8.089 CV     1
  ASSI {  562}
    (( segid "    " and resid 41   and name HD3 ))
    (( segid "    " and resid 42   and name HN  ))
       3.100     1.200     1.200 peak   562 spectrum    1 weight   .10000E+01 volume   .96488E-03 ppm1      2.466 ppm2      8.388 CV     1
  ASSI {  563}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 16   and name HE3 ))
       3.400     1.500     1.500 peak   563 spectrum    1 weight   .10000E+01 volume   .49557E-03 ppm1       .553 ppm2      7.342 CV     1
  ASSI {  564}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 16   and name HH2 ))
       2.900     1.000     1.000 peak   564 spectrum    1 weight   .10000E+01 volume   .13930E-02 ppm1       .554 ppm2      6.965 CV     1
  ASSI {  565}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HG3 ))
       2.600      .800      .800 peak   565 spectrum    1 weight   .10000E+01 volume   .27470E-02 ppm1       .529 ppm2       .275 CV     1
  ASSI {  566}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 16   and name HE3 ))
       3.300     1.300     1.300 peak   566 spectrum    1 weight   .10000E+01 volume   .67511E-03 ppm1       .271 ppm2      7.342 CV     1
  ASSI {  567}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 16   and name HH2 ))
       3.300     1.400     1.400 peak   567 spectrum    1 weight   .10000E+01 volume   .62669E-03 ppm1       .271 ppm2      6.965 CV     1
  ASSI {  568}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.000     1.100     1.100 peak   568 spectrum    1 weight   .10000E+01 volume   .10942E-02 ppm1      3.937 ppm2      8.388 CV     1
  ASSI {  569}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 43   and name HD1%)
       2.700      .900      .900 peak   569 spectrum    1 weight   .10000E+01 volume   .19242E-02 ppm1      4.172 ppm2       .874 CV     1
  ASSI {  570}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 43   and name HD2%)
       2.200      .600      .600 peak   570 spectrum    1 weight   .10000E+01 volume   .75920E-02 ppm1      4.172 ppm2       .737 CV     1
  ASSI {  571}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 43   and name HN  ))
       2.600      .800      .800 peak   571 spectrum    1 weight   .10000E+01 volume   .26530E-02 ppm1      4.172 ppm2      7.346 CV     1
  ASSI {  572}
    (( segid "    " and resid 43   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       2.500      .800      .800 peak   572 spectrum    1 weight   .10000E+01 volume   .32355E-02 ppm1      4.173 ppm2      7.406 CV     1
  ASSI {  573}
    (( segid "    " and resid 43   and name HB2 ))
    (  segid "    " and resid 43   and name HD1%)
       2.600      .900      .900 peak   573 spectrum    1 weight   .10000E+01 volume   .26021E-02 ppm1      1.431 ppm2       .875 CV     1
  ASSI {  574}
    (( segid "    " and resid 43   and name HB2 ))
    (  segid "    " and resid 43   and name HD2%)
       2.400      .700      .700 peak   574 spectrum    1 weight   .10000E+01 volume   .44165E-02 ppm1      1.431 ppm2       .736 CV     1
  ASSI {  575}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 43   and name HN  ))
       2.500      .800      .800 peak   575 spectrum    1 weight   .10000E+01 volume   .37000E-02 ppm1      1.443 ppm2      7.346 CV     1
  ASSI {  576}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 44   and name HN  ))
       2.800     1.000     1.000 peak   576 spectrum    1 weight   .10000E+01 volume   .16801E-02 ppm1      1.443 ppm2      7.406 CV     1
  ASSI {  577}
    (( segid "    " and resid 43   and name HB2 ))
    (  segid "    " and resid 45   and name HD% )
       2.900     1.100     1.100 peak   577 spectrum    1 weight   .10000E+01 volume   .12845E-02 ppm1      1.446 ppm2      7.169 CV     1
  ASSI {  578}
    (( segid "    " and resid 43   and name HB2 ))
    (  segid "    " and resid 45   and name HE% )
       3.400     1.500     1.500 peak   578 spectrum    1 weight   .10000E+01 volume   .50714E-03 ppm1      1.446 ppm2      7.259 CV     1
  ASSI {  579}
    (( segid "    " and resid 43   and name HB3 ))
    (  segid "    " and resid 43   and name HD1%)
       2.400      .700      .700 peak   579 spectrum    1 weight   .10000E+01 volume   .40286E-02 ppm1      1.365 ppm2       .875 CV     1
  ASSI {  580}
    (( segid "    " and resid 43   and name HB3 ))
    (  segid "    " and resid 43   and name HD2%)
       2.300      .600      .600 peak   580 spectrum    1 weight   .10000E+01 volume   .59337E-02 ppm1      1.366 ppm2       .736 CV     1
  ASSI {  581}
    (( segid "    " and resid 43   and name HB3 ))
    (( segid "    " and resid 43   and name HN  ))
       2.500      .800      .800 peak   581 spectrum    1 weight   .10000E+01 volume   .32158E-02 ppm1      1.367 ppm2      7.346 CV     1
  ASSI {  582}
    (( segid "    " and resid 43   and name HB3 ))
    (( segid "    " and resid 44   and name HN  ))
       3.000     1.100     1.100 peak   582 spectrum    1 weight   .10000E+01 volume   .10799E-02 ppm1      1.370 ppm2      7.406 CV     1
  ASSI {  583}
    (  segid "    " and resid 43   and name HD1%)
    (  segid "    " and resid 43   and name HD2%)
       1.900      .400      .400 peak   583 spectrum    1 weight   .10000E+01 volume   .18037E-01 ppm1       .876 ppm2       .738 CV     1
  ASSI {  584}
    (  segid "    " and resid 43   and name HD1%)
    (( segid "    " and resid 43   and name HN  ))
       2.700      .900      .900 peak   584 spectrum    1 weight   .10000E+01 volume   .22040E-02 ppm1       .876 ppm2      7.346 CV     1
  ASSI {  585}
    (  segid "    " and resid 43   and name HD1%)
    (  segid "    " and resid 45   and name HE% )
       3.200     1.300     1.300 peak   585 spectrum    1 weight   .10000E+01 volume   .73774E-03 ppm1       .877 ppm2      7.259 CV     1
  ASSI {  586}
    (  segid "    " and resid 43   and name HD2%)
    (( segid "    " and resid 43   and name HN  ))
       2.800     1.000     1.000 peak   586 spectrum    1 weight   .10000E+01 volume   .16512E-02 ppm1       .738 ppm2      7.346 CV     1
  ASSI {  587}
    (  segid "    " and resid 43   and name HD2%)
    (( segid "    " and resid 44   and name HN  ))
       3.000     1.100     1.100 peak   587 spectrum    1 weight   .10000E+01 volume   .11273E-02 ppm1       .737 ppm2      7.406 CV     1
  ASSI {  588}
    (( segid "    " and resid 43   and name HG  ))
    (  segid "    " and resid 43   and name HD1%)
       2.500      .800      .800 peak   588 spectrum    1 weight   .10000E+01 volume   .33790E-02 ppm1      1.589 ppm2       .875 CV     1
  ASSI {  589}
    (( segid "    " and resid 43   and name HG  ))
    (  segid "    " and resid 43   and name HD2%)
       2.600      .900      .900 peak   589 spectrum    1 weight   .10000E+01 volume   .26036E-02 ppm1      1.589 ppm2       .737 CV     1
  ASSI {  590}
    (( segid "    " and resid 43   and name HG  ))
    (( segid "    " and resid 43   and name HN  ))
       2.500      .800      .800 peak   590 spectrum    1 weight   .10000E+01 volume   .32791E-02 ppm1      1.587 ppm2      7.346 CV     1
  ASSI {  591}
    (( segid "    " and resid 43   and name HG  ))
    (( segid "    " and resid 44   and name HN  ))
       2.800     1.000     1.000 peak   591 spectrum    1 weight   .10000E+01 volume   .16120E-02 ppm1      1.589 ppm2      7.406 CV     1
  ASSI {  592}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       2.400      .700      .700 peak   592 spectrum    1 weight   .10000E+01 volume   .42320E-02 ppm1      7.346 ppm2      8.390 CV     1
  ASSI {  593}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 44   and name HB% )
       1.900      .500      .500 peak   593 spectrum    1 weight   .10000E+01 volume   .15576E-01 ppm1      4.128 ppm2      1.115 CV     1
  ASSI {  594}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
       2.700      .900      .900 peak   594 spectrum    1 weight   .10000E+01 volume   .21257E-02 ppm1      4.122 ppm2      7.407 CV     1
  ASSI {  595}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       2.400      .700      .700 peak   595 spectrum    1 weight   .10000E+01 volume   .41149E-02 ppm1      4.122 ppm2      7.784 CV     1
  ASSI {  596}
    (  segid "    " and resid 44   and name HB% )
    (( segid "    " and resid 44   and name HN  ))
       2.100      .500      .500 peak   596 spectrum    1 weight   .10000E+01 volume   .10346E-01 ppm1      1.115 ppm2      7.407 CV     1
  ASSI {  597}
    (  segid "    " and resid 44   and name HB% )
    (  segid "    " and resid 45   and name HD% )
       2.800     1.000     1.000 peak   597 spectrum    1 weight   .10000E+01 volume   .18604E-02 ppm1      1.117 ppm2      7.173 CV     1
  ASSI {  598}
    (  segid "    " and resid 44   and name HB% )
    (  segid "    " and resid 45   and name HE% )
       3.000     1.100     1.100 peak   598 spectrum    1 weight   .10000E+01 volume   .11151E-02 ppm1      1.117 ppm2      7.262 CV     1
  ASSI {  599}
    (  segid "    " and resid 44   and name HB% )
    (( segid "    " and resid 45   and name HN  ))
       2.500      .800      .800 peak   599 spectrum    1 weight   .10000E+01 volume   .31250E-02 ppm1      1.116 ppm2      7.785 CV     1
  ASSI {  600}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       2.900     1.000     1.000 peak   600 spectrum    1 weight   .10000E+01 volume   .13867E-02 ppm1      7.407 ppm2      7.785 CV     1
  ASSI {  601}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 45   and name HD% )
       2.800     1.000     1.000 peak   601 spectrum    1 weight   .10000E+01 volume   .16284E-02 ppm1      4.662 ppm2      7.171 CV     1
  ASSI {  602}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HN  ))
       2.900     1.000     1.000 peak   602 spectrum    1 weight   .10000E+01 volume   .15310E-02 ppm1      4.662 ppm2      7.787 CV     1
  ASSI {  603}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       2.500      .800      .800 peak   603 spectrum    1 weight   .10000E+01 volume   .31266E-02 ppm1      4.666 ppm2      7.977 CV     1
  ASSI {  604}
    (( segid "    " and resid 45   and name HB2 ))
    (  segid "    " and resid 45   and name HD% )
       2.400      .700      .700 peak   604 spectrum    1 weight   .10000E+01 volume   .42633E-02 ppm1      3.145 ppm2      7.170 CV     1
  ASSI {  605}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       2.900     1.000     1.000 peak   605 spectrum    1 weight   .10000E+01 volume   .14238E-02 ppm1      3.144 ppm2      7.787 CV     1
  ASSI {  606}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 46   and name HN  ))
       3.200     1.300     1.300 peak   606 spectrum    1 weight   .10000E+01 volume   .74925E-03 ppm1      3.148 ppm2      7.977 CV     1
  ASSI {  607}
    (( segid "    " and resid 45   and name HB3 ))
    (  segid "    " and resid 45   and name HD% )
       2.500      .800      .800 peak   607 spectrum    1 weight   .10000E+01 volume   .34480E-02 ppm1      2.932 ppm2      7.170 CV     1
  ASSI {  608}
    (( segid "    " and resid 45   and name HB3 ))
    (( segid "    " and resid 45   and name HN  ))
       2.600      .800      .800 peak   608 spectrum    1 weight   .10000E+01 volume   .28570E-02 ppm1      2.933 ppm2      7.788 CV     1
  ASSI {  609}
    (( segid "    " and resid 45   and name HB3 ))
    (( segid "    " and resid 46   and name HN  ))
       3.400     1.400     1.400 peak   609 spectrum    1 weight   .10000E+01 volume   .57459E-03 ppm1      2.938 ppm2      7.978 CV     1
  ASSI {  610}
    (  segid "    " and resid 45   and name HD% )
    (  segid "    " and resid 45   and name HE% )
       1.800      .400      .400 peak   610 spectrum    1 weight   .10000E+01 volume   .23835E-01 ppm1      7.173 ppm2      7.261 CV     1
  ASSI {  611}
    (  segid "    " and resid 45   and name HD% )
    (( segid "    " and resid 45   and name HN  ))
       3.000     1.200     1.200 peak   611 spectrum    1 weight   .10000E+01 volume   .10386E-02 ppm1      7.168 ppm2      7.790 CV     1
  ASSI {  612}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 16   and name HE1 ))
       3.400     1.500     1.500 peak   612 spectrum    1 weight   .10000E+01 volume   .51904E-03 ppm1       .842 ppm2     10.029 CV     1
  ASSI {  613}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 44   and name HN  ))
       2.500      .800      .800 peak   613 spectrum    1 weight   .10000E+01 volume   .33791E-02 ppm1      7.345 ppm2      7.408 CV     1
  ASSI {  614}
    (( segid "    " and resid 45   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       3.100     1.200     1.200 peak   614 spectrum    1 weight   .10000E+01 volume   .94231E-03 ppm1      7.789 ppm2      7.977 CV     1
  ASSI {  615}
    (  segid "    " and resid 45   and name HD% )
    (( segid "    " and resid 46   and name HN  ))
       3.500     1.500     1.500 peak   615 spectrum    1 weight   .10000E+01 volume   .43314E-03 ppm1      7.172 ppm2      7.983 CV     1
  ASSI {  616}
    (( segid "    " and resid 41   and name HB2 ))
    (  segid "    " and resid 45   and name HD% )
       3.000     1.100     1.100 peak   616 spectrum    1 weight   .10000E+01 volume   .10746E-02 ppm1       .842 ppm2      7.173 CV     1
  ASSI {  617}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       3.300     1.400     1.400 peak   617 spectrum    1 weight   .10000E+01 volume   .59809E-03 ppm1      1.368 ppm2      7.785 CV     1
  ASSI {    3}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HA  ))
       2.700      .900      .900 peak     3 spectrum    2 weight   .10000E+01 volume   .15930E-02 ppm1      1.732 ppm2      4.165 CV     1
  ASSI {    4}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 16   and name HA  ))
       3.600     1.700     1.700 peak     4 spectrum    2 weight   .10000E+01 volume   .29531E-03 ppm1      1.732 ppm2      5.729 CV     1
  ASSI {    5}
    (  segid "    " and resid 12   and name HD1%)
    (( segid "    " and resid 16   and name HA  ))
       3.700     1.700     1.700 peak     5 spectrum    2 weight   .10000E+01 volume   .27750E-03 ppm1      1.024 ppm2      5.730 CV     1
  ASSI {   10}
    (  segid "    " and resid 12   and name HD2%)
    (( segid "    " and resid 16   and name HA  ))
       3.700     1.700     1.700 peak    10 spectrum    2 weight   .10000E+01 volume   .27235E-03 ppm1       .703 ppm2      5.732 CV     1
  ASSI {   17}
    (( segid "    " and resid 13   and name HD2 ))
    (( segid "    " and resid 12   and name HA  ))
       2.700      .900      .900 peak    17 spectrum    2 weight   .10000E+01 volume   .18789E-02 ppm1      3.329 ppm2      4.165 CV     1
  ASSI {   18}
    (( segid "    " and resid 13   and name HD3 ))
    (( segid "    " and resid 12   and name HA  ))
       2.900     1.000     1.000 peak    18 spectrum    2 weight   .10000E+01 volume   .11773E-02 ppm1      2.822 ppm2      4.165 CV     1
  ASSI {   24}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HA  ))
       2.600      .800      .800 peak    24 spectrum    2 weight   .10000E+01 volume   .24792E-02 ppm1      3.180 ppm2      4.242 CV     1
  ASSI {   27}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HA  ))
       2.700      .900      .900 peak    27 spectrum    2 weight   .10000E+01 volume   .17520E-02 ppm1      2.807 ppm2      4.242 CV     1
  ASSI {   31}
    (( segid "    " and resid 15   and name HA2 ))
    (( segid "    " and resid 15   and name HA1 ))
       2.700      .900      .900 peak    31 spectrum    2 weight   .10000E+01 volume   .15939E-02 ppm1      3.184 ppm2      3.931 CV     1
  ASSI {   34}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HZ3 ))
       3.200     1.300     1.300 peak    34 spectrum    2 weight   .10000E+01 volume   .59535E-03 ppm1      5.735 ppm2      6.851 CV     1
  ASSI {   35}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 30   and name HA  ))
       2.700      .900      .900 peak    35 spectrum    2 weight   .10000E+01 volume   .18302E-02 ppm1      5.733 ppm2      3.774 CV     1
  ASSI {   36}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HA  ))
       3.000     1.200     1.200 peak    36 spectrum    2 weight   .10000E+01 volume   .87220E-03 ppm1      3.248 ppm2      5.736 CV     1
  ASSI {   39}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HA  ))
       2.900     1.000     1.000 peak    39 spectrum    2 weight   .10000E+01 volume   .12317E-02 ppm1      2.960 ppm2      5.736 CV     1
  ASSI {   50}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 19   and name HA  ))
       2.600      .800      .800 peak    50 spectrum    2 weight   .10000E+01 volume   .24673E-02 ppm1      1.345 ppm2      4.400 CV     1
  ASSI {   51}
    (( segid "    " and resid 19   and name HB2 ))
    (  segid "    " and resid 27   and name HD% )
       3.400     1.400     1.400 peak    51 spectrum    2 weight   .10000E+01 volume   .47978E-03 ppm1      1.345 ppm2      6.799 CV     1
  ASSI {   54}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 19   and name HA  ))
       2.800     1.000     1.000 peak    54 spectrum    2 weight   .10000E+01 volume   .15372E-02 ppm1       .445 ppm2      4.400 CV     1
  ASSI {   59}
    (( segid "    " and resid 19   and name HG2 ))
    (  segid "    " and resid 27   and name HE% )
       2.500      .800      .800 peak    59 spectrum    2 weight   .10000E+01 volume   .31196E-02 ppm1      1.876 ppm2      6.850 CV     1
  OR {   59}
    (( segid "    " and resid 19   and name HG3 ))
    (  segid "    " and resid 27   and name HE% )
  ASSI {   61}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 28   and name HA  ))
       3.500     1.500     1.500 peak    61 spectrum    2 weight   .10000E+01 volume   .37872E-03 ppm1      1.870 ppm2      5.274 CV     1
  OR {   61}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 28   and name HA  ))
  ASSI {   62}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 26   and name HA  ))
       2.400      .700      .700 peak    62 spectrum    2 weight   .10000E+01 volume   .33512E-02 ppm1      4.956 ppm2      4.489 CV     1
  ASSI {   64}
    (( segid "    " and resid 20   and name HB  ))
    (( segid "    " and resid 20   and name HA  ))
       2.700      .900      .900 peak    64 spectrum    2 weight   .10000E+01 volume   .17409E-02 ppm1      3.787 ppm2      4.960 CV     1
  ASSI {   65}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 20   and name HA  ))
       2.300      .600      .600 peak    65 spectrum    2 weight   .10000E+01 volume   .50124E-02 ppm1      1.126 ppm2      4.960 CV     1
  ASSI {   66}
    (  segid "    " and resid 20   and name HG2%)
    (( segid "    " and resid 26   and name HA  ))
       2.600      .900      .900 peak    66 spectrum    2 weight   .10000E+01 volume   .19841E-02 ppm1      1.125 ppm2      4.484 CV     1
  ASSI {   68}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HA  ))
       2.800     1.000     1.000 peak    68 spectrum    2 weight   .10000E+01 volume   .12868E-02 ppm1      3.288 ppm2      4.797 CV     1
  ASSI {   71}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HA  ))
       2.900     1.100     1.100 peak    71 spectrum    2 weight   .10000E+01 volume   .10536E-02 ppm1      2.686 ppm2      4.797 CV     1
  ASSI {   74}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 22   and name HA  ))
       2.100      .600      .600 peak    74 spectrum    2 weight   .10000E+01 volume   .76745E-02 ppm1      2.041 ppm2      4.143 CV     1
  OR {   74}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 22   and name HA  ))
  ASSI {   75}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 22   and name HA  ))
       2.500      .800      .800 peak    75 spectrum    2 weight   .10000E+01 volume   .26713E-02 ppm1      2.240 ppm2      4.143 CV     1
  OR {   75}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 22   and name HA  ))
  ASSI {   76}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HA  ))
       2.800     1.000     1.000 peak    76 spectrum    2 weight   .10000E+01 volume   .13447E-02 ppm1      2.996 ppm2      4.927 CV     1
  ASSI {   77}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HA  ))
       2.600      .800      .800 peak    77 spectrum    2 weight   .10000E+01 volume   .22817E-02 ppm1      2.775 ppm2      4.926 CV     1
  ASSI {   78}
    (( segid "    " and resid 24   and name HA2 ))
    (( segid "    " and resid 24   and name HA1 ))
       2.800      .900      .900 peak    78 spectrum    2 weight   .10000E+01 volume   .15671E-02 ppm1      3.551 ppm2      4.171 CV     1
  ASSI {   82}
    (( segid "    " and resid 25   and name HG3 ))
    (  segid "    " and resid 38   and name HE% )
       3.200     1.300     1.300 peak    82 spectrum    2 weight   .10000E+01 volume   .58328E-03 ppm1      2.435 ppm2      6.607 CV     1
  OR {   82}
    (( segid "    " and resid 25   and name HG2 ))
    (  segid "    " and resid 38   and name HE% )
  ASSI {   84}
    (  segid "    " and resid 26   and name HG1%)
    (( segid "    " and resid 20   and name HA  ))
       2.900     1.000     1.000 peak    84 spectrum    2 weight   .10000E+01 volume   .12366E-02 ppm1       .878 ppm2      4.960 CV     1
  ASSI {   97}
    (( segid "    " and resid 27   and name HB2 ))
    (  segid "    " and resid 27   and name HE% )
       2.500      .800      .800 peak    97 spectrum    2 weight   .10000E+01 volume   .30064E-02 ppm1      2.264 ppm2      6.850 CV     1
  ASSI {  104}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 27   and name HZ  ))
       2.900     1.000     1.000 peak   104 spectrum    2 weight   .10000E+01 volume   .12085E-02 ppm1      6.791 ppm2      7.076 CV     1
  ASSI {  107}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 18   and name HA  ))
       3.200     1.300     1.300 peak   107 spectrum    2 weight   .10000E+01 volume   .60486E-03 ppm1      5.280 ppm2      4.797 CV     1
  ASSI {  109}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 28   and name HE% )
       3.400     1.400     1.400 peak   109 spectrum    2 weight   .10000E+01 volume   .45303E-03 ppm1      5.282 ppm2      7.167 CV     1
  ASSI {  112}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 28   and name HA  ))
       2.900     1.100     1.100 peak   112 spectrum    2 weight   .10000E+01 volume   .11504E-02 ppm1      3.161 ppm2      5.277 CV     1
  ASSI {  115}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 16   and name HZ3 ))
       2.300      .700      .700 peak   115 spectrum    2 weight   .10000E+01 volume   .46062E-02 ppm1      3.032 ppm2      6.851 CV     1
  ASSI {  116}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 28   and name HA  ))
       3.000     1.100     1.100 peak   116 spectrum    2 weight   .10000E+01 volume   .93026E-03 ppm1      3.032 ppm2      5.277 CV     1
  ASSI {  117}
    (( segid "    " and resid 28   and name HB3 ))
    (  segid "    " and resid 28   and name HD% )
       2.400      .700      .700 peak   117 spectrum    2 weight   .10000E+01 volume   .36310E-02 ppm1      3.031 ppm2      6.972 CV     1
  ASSI {  119}
    (  segid "    " and resid 28   and name HD% )
    (( segid "    " and resid 28   and name HZ  ))
       2.200      .600      .600 peak   119 spectrum    2 weight   .10000E+01 volume   .58128E-02 ppm1      6.972 ppm2      7.154 CV     1
  ASSI {  120}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 16   and name HZ3 ))
       3.400     1.400     1.400 peak   120 spectrum    2 weight   .10000E+01 volume   .45074E-03 ppm1      4.455 ppm2      6.846 CV     1
  ASSI {  121}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 36   and name HA  ))
       2.300      .700      .700 peak   121 spectrum    2 weight   .10000E+01 volume   .44858E-02 ppm1      4.458 ppm2      5.445 CV     1
  ASSI {  122}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 16   and name HZ3 ))
       2.900     1.000     1.000 peak   122 spectrum    2 weight   .10000E+01 volume   .12347E-02 ppm1      1.675 ppm2      6.850 CV     1
  ASSI {  123}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 36   and name HA  ))
       3.500     1.500     1.500 peak   123 spectrum    2 weight   .10000E+01 volume   .40095E-03 ppm1      1.676 ppm2      5.445 CV     1
  ASSI {  129}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 36   and name HA  ))
       2.800     1.000     1.000 peak   129 spectrum    2 weight   .10000E+01 volume   .14499E-02 ppm1       .677 ppm2      5.446 CV     1
  ASSI {  132}
    (  segid "    " and resid 29   and name HG2%)
    (  segid "    " and resid 27   and name HE% )
       2.600      .800      .800 peak   132 spectrum    2 weight   .10000E+01 volume   .22921E-02 ppm1       .330 ppm2      6.850 CV     1
  ASSI {  134}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 30   and name HA  ))
       3.500     1.600     1.600 peak   134 spectrum    2 weight   .10000E+01 volume   .35353E-03 ppm1       .331 ppm2      3.773 CV     1
  ASSI {  135}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 36   and name HA  ))
       2.900     1.000     1.000 peak   135 spectrum    2 weight   .10000E+01 volume   .11594E-02 ppm1       .330 ppm2      5.445 CV     1
  ASSI {  137}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 16   and name HD1 ))
       3.500     1.500     1.500 peak   137 spectrum    2 weight   .10000E+01 volume   .35837E-03 ppm1      3.773 ppm2      7.034 CV     1
  ASSI {  139}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 16   and name HZ3 ))
       3.400     1.400     1.400 peak   139 spectrum    2 weight   .10000E+01 volume   .46157E-03 ppm1      3.777 ppm2      6.851 CV     1
  ASSI {  140}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 16   and name HA  ))
       3.600     1.700     1.700 peak   140 spectrum    2 weight   .10000E+01 volume   .29220E-03 ppm1      1.886 ppm2      5.729 CV     1
  ASSI {  142}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
       2.800     1.000     1.000 peak   142 spectrum    2 weight   .10000E+01 volume   .13587E-02 ppm1      1.888 ppm2      3.773 CV     1
  ASSI {  143}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 16   and name HA  ))
       3.600     1.600     1.600 peak   143 spectrum    2 weight   .10000E+01 volume   .32536E-03 ppm1       .103 ppm2      5.746 CV     1
  ASSI {  145}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
       2.900     1.100     1.100 peak   145 spectrum    2 weight   .10000E+01 volume   .11209E-02 ppm1       .104 ppm2      3.773 CV     1
  ASSI {  146}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HA  ))
       2.200      .600      .600 peak   146 spectrum    2 weight   .10000E+01 volume   .60767E-02 ppm1      3.032 ppm2      4.214 CV     1
  OR {  146}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  149}
    (( segid "    " and resid 32   and name HG12))
    (  segid "    " and resid 14   and name HE% )
       3.400     1.400     1.400 peak   149 spectrum    2 weight   .10000E+01 volume   .43908E-03 ppm1      1.426 ppm2      6.814 CV     1
  ASSI {  150}
    (( segid "    " and resid 32   and name HG12))
    (( segid "    " and resid 32   and name HA  ))
       3.100     1.200     1.200 peak   150 spectrum    2 weight   .10000E+01 volume   .73887E-03 ppm1      1.437 ppm2      3.866 CV     1
  ASSI {  151}
    (( segid "    " and resid 32   and name HG13))
    (( segid "    " and resid 32   and name HA  ))
       2.700      .900      .900 peak   151 spectrum    2 weight   .10000E+01 volume   .17167E-02 ppm1      1.182 ppm2      3.868 CV     1
  ASSI {  152}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 32   and name HA  ))
       2.300      .600      .600 peak   152 spectrum    2 weight   .10000E+01 volume   .51865E-02 ppm1       .796 ppm2      3.867 CV     1
  ASSI {  153}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
       2.900     1.100     1.100 peak   153 spectrum    2 weight   .10000E+01 volume   .10701E-02 ppm1      3.882 ppm2      4.213 CV     1
  ASSI {  154}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HA  ))
       2.500      .800      .800 peak   154 spectrum    2 weight   .10000E+01 volume   .28151E-02 ppm1      1.649 ppm2      3.881 CV     1
  ASSI {  155}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HA  ))
       2.700      .900      .900 peak   155 spectrum    2 weight   .10000E+01 volume   .17923E-02 ppm1      1.532 ppm2      3.881 CV     1
  ASSI {  156}
    (( segid "    " and resid 34   and name HD3 ))
    (( segid "    " and resid 34   and name HA  ))
       2.700      .900      .900 peak   156 spectrum    2 weight   .10000E+01 volume   .17843E-02 ppm1      2.047 ppm2      3.881 CV     1
  OR {  156}
    (( segid "    " and resid 34   and name HD2 ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  157}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HA  ))
       2.600      .900      .900 peak   157 spectrum    2 weight   .10000E+01 volume   .19854E-02 ppm1      1.187 ppm2      3.883 CV     1
  OR {  157}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  158}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HA  ))
       3.000     1.100     1.100 peak   158 spectrum    2 weight   .10000E+01 volume   .10339E-02 ppm1      1.785 ppm2      4.810 CV     1
  ASSI {  159}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HA  ))
       3.100     1.200     1.200 peak   159 spectrum    2 weight   .10000E+01 volume   .82485E-03 ppm1      1.583 ppm2      4.809 CV     1
  ASSI {  160}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HA  ))
       3.300     1.400     1.400 peak   160 spectrum    2 weight   .10000E+01 volume   .52255E-03 ppm1      1.392 ppm2      4.809 CV     1
  OR {  160}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI {  167}
    (( segid "    " and resid 36   and name HB  ))
    (( segid "    " and resid 36   and name HA  ))
       2.300      .600      .600 peak   167 spectrum    2 weight   .10000E+01 volume   .48991E-02 ppm1      4.041 ppm2      5.445 CV     1
  ASSI {  170}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 36   and name HA  ))
       2.200      .600      .600 peak   170 spectrum    2 weight   .10000E+01 volume   .68359E-02 ppm1      1.126 ppm2      5.445 CV     1
  ASSI {  171}
    (  segid "    " and resid 36   and name HG2%)
    (( segid "    " and resid 36   and name HB  ))
       2.100      .600      .600 peak   171 spectrum    2 weight   .10000E+01 volume   .77543E-02 ppm1      1.125 ppm2      4.042 CV     1
  ASSI {  172}
    (  segid "    " and resid 36   and name HG2%)
    (  segid "    " and resid 38   and name HE% )
       3.500     1.600     1.600 peak   172 spectrum    2 weight   .10000E+01 volume   .34419E-03 ppm1      1.126 ppm2      6.607 CV     1
  ASSI {  174}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 16   and name HE3 ))
       2.900     1.000     1.000 peak   174 spectrum    2 weight   .10000E+01 volume   .11982E-02 ppm1      1.456 ppm2      7.354 CV     1
  ASSI {  179}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 37   and name HA  ))
       2.500      .800      .800 peak   179 spectrum    2 weight   .10000E+01 volume   .25715E-02 ppm1      1.458 ppm2      4.909 CV     1
  ASSI {  191}
    (( segid "    " and resid 40   and name HB3 ))
    (  segid "    " and resid 28   and name HD% )
       3.500     1.500     1.500 peak   191 spectrum    2 weight   .10000E+01 volume   .39108E-03 ppm1      2.287 ppm2      6.972 CV     1
  ASSI {  194}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 16   and name HZ2 ))
       3.500     1.500     1.500 peak   194 spectrum    2 weight   .10000E+01 volume   .40323E-03 ppm1       .821 ppm2      7.384 CV     1
  ASSI {  195}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HA  ))
       2.400      .700      .700 peak   195 spectrum    2 weight   .10000E+01 volume   .37760E-02 ppm1       .837 ppm2      3.860 CV     1
  ASSI {  196}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HD2 ))
       3.400     1.400     1.400 peak   196 spectrum    2 weight   .10000E+01 volume   .43983E-03 ppm1       .831 ppm2      2.619 CV     1
  ASSI {  197}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HD3 ))
       3.600     1.600     1.600 peak   197 spectrum    2 weight   .10000E+01 volume   .31130E-03 ppm1       .833 ppm2      2.456 CV     1
  ASSI {  198}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HD2 ))
       3.400     1.400     1.400 peak   198 spectrum    2 weight   .10000E+01 volume   .44226E-03 ppm1       .712 ppm2      2.619 CV     1
  ASSI {  199}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HD3 ))
       3.100     1.200     1.200 peak   199 spectrum    2 weight   .10000E+01 volume   .74766E-03 ppm1       .712 ppm2      2.456 CV     1
  ASSI {  202}
    (( segid "    " and resid 41   and name HD2 ))
    (( segid "    " and resid 41   and name HA  ))
       3.600     1.600     1.600 peak   202 spectrum    2 weight   .10000E+01 volume   .31287E-03 ppm1      2.615 ppm2      3.860 CV     1
  ASSI {  205}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HA  ))
       3.500     1.500     1.500 peak   205 spectrum    2 weight   .10000E+01 volume   .37734E-03 ppm1       .530 ppm2      3.860 CV     1
  ASSI {  206}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HD2 ))
       3.300     1.300     1.300 peak   206 spectrum    2 weight   .10000E+01 volume   .56789E-03 ppm1       .527 ppm2      2.619 CV     1
  ASSI {  207}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HD3 ))
       3.200     1.300     1.300 peak   207 spectrum    2 weight   .10000E+01 volume   .64596E-03 ppm1       .527 ppm2      2.457 CV     1
  ASSI {  210}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 41   and name HA  ))
       3.400     1.400     1.400 peak   210 spectrum    2 weight   .10000E+01 volume   .47967E-03 ppm1       .273 ppm2      3.863 CV     1
  ASSI {  211}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 41   and name HD2 ))
       3.200     1.300     1.300 peak   211 spectrum    2 weight   .10000E+01 volume   .68090E-03 ppm1       .268 ppm2      2.619 CV     1
  ASSI {  212}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 41   and name HD3 ))
       3.200     1.300     1.300 peak   212 spectrum    2 weight   .10000E+01 volume   .65081E-03 ppm1       .268 ppm2      2.457 CV     1
  ASSI {  213}
    (( segid "    " and resid 43   and name HB2 ))
    (( segid "    " and resid 43   and name HA  ))
       2.800     1.000     1.000 peak   213 spectrum    2 weight   .10000E+01 volume   .15521E-02 ppm1      1.426 ppm2      4.161 CV     1
  ASSI {  215}
    (( segid "    " and resid 43   and name HB3 ))
    (( segid "    " and resid 43   and name HA  ))
       2.600      .800      .800 peak   215 spectrum    2 weight   .10000E+01 volume   .21848E-02 ppm1      1.365 ppm2      4.161 CV     1
  ASSI {  219}
    (( segid "    " and resid 43   and name HG  ))
    (( segid "    " and resid 43   and name HA  ))
       2.800     1.000     1.000 peak   219 spectrum    2 weight   .10000E+01 volume   .13793E-02 ppm1      1.602 ppm2      4.161 CV     1

!ambiguous
 ASSI {  618}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   618 spectrum    1 weight   .10000E+01 volume   .17885E-02 ppm1      6.790 ppm2      9.186 CV     1
  OR {  618}
    (  segid "    " and resid 27   and name HD% )
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  620}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   620 spectrum    1 weight   .10000E+01 volume   .17644E-02 ppm1      6.845 ppm2      9.186 CV     1
  OR {  620}
    (  segid "    " and resid 27   and name HE% )
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  622}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700      .900      .900 peak   622 spectrum    1 weight   .10000E+01 volume   .20947E-02 ppm1      4.479 ppm2      9.186 CV     1
  OR {  622}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  624}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       2.000      .500      .500 peak   624 spectrum    1 weight   .10000E+01 volume   .13336E-01 ppm1      4.466 ppm2      8.330 CV     1
  OR {  624}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  626}
    (( segid "    " and resid 19   and name HG2 ))
    (( segid "    " and resid 29   and name HN  ))
       3.200     1.300     1.300 peak   626 spectrum    1 weight   .10000E+01 volume   .79389E-03 ppm1      1.878 ppm2      9.186 CV     1
  OR {  626}
    (( segid "    " and resid 19   and name HG3 ))
    (( segid "    " and resid 29   and name HN  ))
  OR {  626}
    (( segid "    " and resid 17   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  628}
    (( segid "    " and resid 26   and name HA  ))
    (  segid "    " and resid 20   and name HG2%)
       2.300      .700      .700 peak   628 spectrum    1 weight   .10000E+01 volume   .57024E-02 ppm1      4.472 ppm2      1.122 CV     1
  OR {  628}
    (( segid "    " and resid 29   and name HA  ))
    (  segid "    " and resid 36   and name HG2%)
  ASSI {  630}
    (( segid "    " and resid 28   and name HB3 ))
    (  segid "    " and resid 28   and name HD% )
       2.300      .700      .700 peak   630 spectrum    1 weight   .10000E+01 volume   .53666E-02 ppm1      3.029 ppm2      6.966 CV     1
  OR {  630}
    (( segid "    " and resid 40   and name HA  ))
    (  segid "    " and resid 28   and name HD% )
  ASSI {  632}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.800     1.000     1.000 peak   632 spectrum    1 weight   .10000E+01 volume   .17044E-02 ppm1      3.878 ppm2      7.663 CV     1
  OR {  632}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  634}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.200      .600      .600 peak   634 spectrum    1 weight   .10000E+01 volume   .74816E-02 ppm1      3.888 ppm2      7.440 CV     1
  OR {  634}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -20.824  -6.724 -13.292
    2   2H    GLY   1          2H        GLY   1 -22.467  -7.112 -13.108
    3   3H    GLY   1          3H        GLY   1 -21.316  -7.765 -12.050
    4   1HA   GLY   1          2HA       GLY   1 -21.979  -4.883 -12.285
    5   2HA   GLY   1          1HA       GLY   1 -22.572  -5.953 -11.022
    6    H    SER   2           H        SER   2 -21.475  -4.138  -9.764
    7    HA   SER   2           HA       SER   2 -18.603  -4.158  -9.739
    8   1HB   SER   2          2HB       SER   2 -19.391  -2.875  -7.423
    9   2HB   SER   2          1HB       SER   2 -19.122  -2.101  -8.987
   10    HG   SER   2           HG       SER   2 -21.546  -2.918  -7.786
   11    H    ALA   3           H        ALA   3 -21.103  -5.924  -8.208
   12    HA   ALA   3           HA       ALA   3 -21.164  -7.557  -6.640
   13   1HB   ALA   3          1HB       ALA   3 -18.905  -8.757  -6.241
   14   2HB   ALA   3          2HB       ALA   3 -19.647  -8.836  -7.841
   15   3HB   ALA   3          3HB       ALA   3 -18.312  -7.725  -7.542
   16    H    LYS   4           H        LYS   4 -20.883  -4.865  -5.751
   17    HA   LYS   4           HA       LYS   4 -18.931  -4.811  -3.626
   18   1HB   LYS   4          2HB       LYS   4 -20.199  -2.878  -5.130
   19   2HB   LYS   4          1HB       LYS   4 -20.997  -2.740  -3.568
   20   1HG   LYS   4          2HG       LYS   4 -19.130  -1.228  -3.667
   21   2HG   LYS   4          1HG       LYS   4 -18.797  -2.501  -2.493
   22   1HD   LYS   4          2HD       LYS   4 -17.612  -3.678  -4.473
   23   2HD   LYS   4          1HD       LYS   4 -17.613  -2.076  -5.212
   24   1HE   LYS   4          2HE       LYS   4 -16.686  -2.225  -2.415
   25   2HE   LYS   4          1HE       LYS   4 -15.649  -2.991  -3.617
   26   1HZ   LYS   4          1HZ       LYS   4 -16.208  -0.185  -3.173
   27   2HZ   LYS   4          2HZ       LYS   4 -16.195  -0.655  -4.801
   28   3HZ   LYS   4          3HZ       LYS   4 -14.831  -0.929  -3.828
   29    H    ARG   5           H        ARG   5 -20.176  -6.915  -2.935
   30    HA   ARG   5           HA       ARG   5 -21.738  -6.109  -0.601
   31   1HB   ARG   5          2HB       ARG   5 -23.164  -6.979  -2.644
   32   2HB   ARG   5          1HB       ARG   5 -22.627  -8.554  -2.075
   33   1HG   ARG   5          2HG       ARG   5 -24.876  -7.611  -1.234
   34   2HG   ARG   5          1HG       ARG   5 -23.782  -8.382  -0.081
   35   1HD   ARG   5          2HD       ARG   5 -22.879  -5.992   0.306
   36   2HD   ARG   5          1HD       ARG   5 -24.373  -5.468  -0.466
   37    HE   ARG   5           HE       ARG   5 -25.594  -6.283   1.358
   38   1HH1  ARG   5          2HH1      ARG   5 -22.159  -6.901   1.756
   39   2HH1  ARG   5          1HH1      ARG   5 -22.277  -7.155   3.472
   40   1HH2  ARG   5          2HH2      ARG   5 -25.749  -6.643   3.592
   41   2HH2  ARG   5          1HH2      ARG   5 -24.322  -7.013   4.511
   42    H    LYS   6           H        LYS   6 -19.860  -8.533  -2.305
   43    HA   LYS   6           HA       LYS   6 -18.877  -9.505   0.272
   44   1HB   LYS   6          2HB       LYS   6 -20.472 -11.018  -1.645
   45   2HB   LYS   6          1HB       LYS   6 -18.928 -11.789  -1.302
   46   1HG   LYS   6          2HG       LYS   6 -19.511 -11.491   1.158
   47   2HG   LYS   6          1HG       LYS   6 -21.145 -11.122   0.601
   48   1HD   LYS   6          2HD       LYS   6 -19.982 -13.531  -0.594
   49   2HD   LYS   6          1HD       LYS   6 -20.202 -13.622   1.156
   50   1HE   LYS   6          2HE       LYS   6 -22.423 -12.591  -0.555
   51   2HE   LYS   6          1HE       LYS   6 -22.132 -14.328  -0.467
   52   1HZ   LYS   6          1HZ       LYS   6 -22.924 -12.483   1.697
   53   2HZ   LYS   6          2HZ       LYS   6 -22.183 -13.970   2.049
   54   3HZ   LYS   6          3HZ       LYS   6 -23.659 -13.932   1.210
   55    H    ARG   7           H        ARG   7 -16.722  -9.617   0.290
   56    HA   ARG   7           HA       ARG   7 -15.289  -9.164  -2.211
   57   1HB   ARG   7          2HB       ARG   7 -14.926  -8.378   0.492
   58   2HB   ARG   7          1HB       ARG   7 -13.548  -9.380   0.054
   59   1HG   ARG   7          2HG       ARG   7 -12.777  -7.892  -1.495
   60   2HG   ARG   7          1HG       ARG   7 -14.383  -7.235  -1.826
   61   1HD   ARG   7          2HD       ARG   7 -14.042  -5.581  -0.381
   62   2HD   ARG   7          1HD       ARG   7 -13.716  -6.740   0.907
   63    HE   ARG   7           HE       ARG   7 -11.791  -5.231  -0.615
   64   1HH1  ARG   7          2HH1      ARG   7 -12.290  -8.106   1.333
   65   2HH1  ARG   7          1HH1      ARG   7 -10.627  -8.229   1.812
   66   1HH2  ARG   7          2HH2      ARG   7  -9.600  -5.379   0.035
   67   2HH2  ARG   7          1HH2      ARG   7  -9.104  -6.661   1.113
   68    H    VAL   8           H        VAL   8 -16.273 -11.590  -2.413
   69    HA   VAL   8           HA       VAL   8 -13.942 -13.317  -2.057
   70    HB   VAL   8           HB       VAL   8 -15.284 -13.946  -0.173
   71   1HG1  VAL   8          1HG1      VAL   8 -17.441 -13.106  -1.641
   72   2HG1  VAL   8          2HG1      VAL   8 -17.669 -14.854  -1.570
   73   3HG1  VAL   8          3HG1      VAL   8 -17.508 -13.926  -0.080
   74   1HG2  VAL   8          1HG2      VAL   8 -15.817 -16.291  -0.680
   75   2HG2  VAL   8          2HG2      VAL   8 -15.666 -15.943  -2.401
   76   3HG2  VAL   8          3HG2      VAL   8 -14.258 -15.801  -1.347
   77    H    ALA   9           H        ALA   9 -13.458 -14.344  -3.873
   78    HA   ALA   9           HA       ALA   9 -15.399 -15.370  -5.694
   79   1HB   ALA   9          1HB       ALA   9 -15.717 -13.645  -7.053
   80   2HB   ALA   9          2HB       ALA   9 -14.644 -12.650  -6.072
   81   3HB   ALA   9          3HB       ALA   9 -13.988 -13.610  -7.400
   82    H    GLY  10           H        GLY  10 -12.100 -14.408  -5.023
   83   1HA   GLY  10          1HA       GLY  10 -10.235 -15.857  -5.274
   84   2HA   GLY  10          2HA       GLY  10 -11.130 -16.759  -6.494
   85    H    ASP  11           H        ASP  11 -10.511 -13.289  -6.158
   86    HA   ASP  11           HA       ASP  11  -9.909 -13.112  -8.970
   87   1HB   ASP  11          2HB       ASP  11 -11.222 -11.423  -7.461
   88   2HB   ASP  11          1HB       ASP  11  -9.619 -10.815  -7.061
   89    H    LEU  12           H        LEU  12  -8.204 -11.810  -6.133
   90    HA   LEU  12           HA       LEU  12  -5.719 -11.766  -7.598
   91   1HB   LEU  12          2HB       LEU  12  -6.308 -11.033  -4.726
   92   2HB   LEU  12          1HB       LEU  12  -4.805 -10.723  -5.573
   93    HG   LEU  12           HG       LEU  12  -7.421  -9.580  -6.511
   94   1HD1  LEU  12          1HD1      LEU  12  -7.005  -8.880  -4.189
   95   2HD1  LEU  12          2HD1      LEU  12  -5.408  -8.296  -4.670
   96   3HD1  LEU  12          3HD1      LEU  12  -6.862  -7.544  -5.334
   97   1HD2  LEU  12          1HD2      LEU  12  -5.911  -9.369  -8.233
   98   2HD2  LEU  12          2HD2      LEU  12  -5.645  -7.863  -7.353
   99   3HD2  LEU  12          3HD2      LEU  12  -4.531  -9.214  -7.145
  100    HA   PRO  13           HA       PRO  13  -3.798 -15.438  -5.907
  101   1HB   PRO  13          2HB       PRO  13  -1.431 -13.804  -5.267
  102   2HB   PRO  13          1HB       PRO  13  -1.571 -15.183  -6.353
  103   1HG   PRO  13          2HG       PRO  13  -1.235 -12.698  -7.283
  104   2HG   PRO  13          1HG       PRO  13  -2.240 -13.878  -8.133
  105   1HD   PRO  13          2HD       PRO  13  -3.064 -11.607  -6.380
  106   2HD   PRO  13          1HD       PRO  13  -3.791 -12.180  -7.894
  107    H    TYR  14           H        TYR  14  -3.144 -16.346  -3.891
  108    HA   TYR  14           HA       TYR  14  -3.991 -15.237  -1.516
  109   1HB   TYR  14          2HB       TYR  14  -3.513 -17.318  -0.980
  110   2HB   TYR  14          1HB       TYR  14  -2.476 -17.522  -2.378
  111    HD1  TYR  14           1HD      TYR  14  -2.552 -16.420   1.149
  112    HD2  TYR  14           2HD      TYR  14  -0.118 -17.583  -2.135
  113    HE1  TYR  14           1HE      TYR  14  -0.615 -16.536   2.636
  114    HE2  TYR  14           2HE      TYR  14   1.833 -17.706  -0.653
  115    HH   TYR  14           HH       TYR  14   1.684 -16.660   2.707
  116    H    GLY  15           H        GLY  15  -3.113 -13.977   0.012
  117   1HA   GLY  15          1HA       GLY  15  -1.314 -12.731   0.999
  118   2HA   GLY  15          2HA       GLY  15  -0.470 -12.823  -0.551
  119    H    TRP  16           H        TRP  16  -2.514 -12.030  -2.246
  120    HA   TRP  16           HA       TRP  16  -2.197  -9.205  -1.990
  121   1HB   TRP  16          2HB       TRP  16  -3.542 -10.965  -4.021
  122   2HB   TRP  16          1HB       TRP  16  -3.505  -9.207  -4.161
  123    HD1  TRP  16           HD       TRP  16  -1.320 -12.282  -4.583
  124    HE1  TRP  16           1HE      TRP  16   0.941 -11.603  -5.585
  125    HE3  TRP  16           3HE      TRP  16  -1.852  -7.223  -4.195
  126    HZ2  TRP  16           2HZ      TRP  16   2.320  -9.142  -6.130
  127    HZ3  TRP  16           3HZ      TRP  16  -0.030  -5.772  -4.961
  128    HH2  TRP  16           HH       TRP  16   2.017  -6.715  -5.916
  129    H    GLU  17           H        GLU  17  -3.540  -7.709  -1.290
  130    HA   GLU  17           HA       GLU  17  -6.364  -8.428  -0.859
  131   1HB   GLU  17          2HB       GLU  17  -4.425  -6.848   0.715
  132   2HB   GLU  17          1HB       GLU  17  -6.031  -6.146   0.578
  133   1HG   GLU  17          2HG       GLU  17  -6.463  -8.828   1.188
  134   2HG   GLU  17          1HG       GLU  17  -5.111  -8.330   2.204
  135    H    GLN  18           H        GLN  18  -7.936  -7.071  -1.659
  136    HA   GLN  18           HA       GLN  18  -7.038  -5.163  -3.687
  137   1HB   GLN  18          2HB       GLN  18  -8.587  -6.901  -4.414
  138   2HB   GLN  18          1HB       GLN  18  -9.743  -6.417  -3.180
  139   1HG   GLN  18          2HG       GLN  18 -10.286  -4.444  -4.297
  140   2HG   GLN  18          1HG       GLN  18  -8.837  -4.507  -5.302
  141   1HE2  GLN  18          1HE2      GLN  18  -9.579  -4.672  -7.316
  142   2HE2  GLN  18          2HE2      GLN  18 -10.690  -5.865  -7.883
  143    H    GLU  19           H        GLU  19  -6.970  -3.084  -3.162
  144    HA   GLU  19           HA       GLU  19  -8.976  -2.035  -1.270
  145   1HB   GLU  19          2HB       GLU  19  -6.115  -1.085  -1.456
  146   2HB   GLU  19          1HB       GLU  19  -7.333  -0.558  -0.311
  147   1HG   GLU  19          2HG       GLU  19  -6.901  -3.415  -0.200
  148   2HG   GLU  19          1HG       GLU  19  -5.424  -2.494   0.092
  149    H    THR  20           H        THR  20  -8.961   0.456  -1.405
  150    HA   THR  20           HA       THR  20  -8.499   1.347  -4.164
  151    HB   THR  20           HB       THR  20 -10.924   2.226  -2.603
  152    HG1  THR  20           1HG      THR  20 -10.469  -0.151  -3.870
  153   1HG2  THR  20          1HG2      THR  20 -11.100   2.233  -5.485
  154   2HG2  THR  20          2HG2      THR  20  -9.678   3.126  -4.943
  155   3HG2  THR  20          3HG2      THR  20 -11.277   3.574  -4.351
  156    H    ASP  21           H        ASP  21  -7.749   3.414  -4.371
  157    HA   ASP  21           HA       ASP  21  -6.752   4.603  -1.923
  158   1HB   ASP  21          2HB       ASP  21  -5.105   5.540  -3.188
  159   2HB   ASP  21          1HB       ASP  21  -5.548   4.242  -4.283
  160    H    GLU  22           H        GLU  22  -6.586   7.204  -2.434
  161    HA   GLU  22           HA       GLU  22  -9.215   8.100  -1.757
  162   1HB   GLU  22          2HB       GLU  22  -7.450  10.291  -2.305
  163   2HB   GLU  22          1HB       GLU  22  -8.083   9.738  -0.760
  164   1HG   GLU  22          2HG       GLU  22  -6.213   8.544  -0.258
  165   2HG   GLU  22          1HG       GLU  22  -5.820   8.235  -1.948
  166    H    ASN  23           H        ASN  23  -7.424   7.921  -4.686
  167    HA   ASN  23           HA       ASN  23  -9.002   9.943  -6.049
  168   1HB   ASN  23          2HB       ASN  23  -6.866   8.019  -6.981
  169   2HB   ASN  23          1HB       ASN  23  -7.718   9.103  -8.074
  170   1HD2  ASN  23          1HD2      ASN  23  -5.408   8.842  -5.517
  171   2HD2  ASN  23          2HD2      ASN  23  -4.768  10.449  -5.663
  172    H    GLY  24           H        GLY  24  -9.467   6.821  -5.098
  173   1HA   GLY  24          1HA       GLY  24 -11.266   5.424  -5.530
  174   2HA   GLY  24          2HA       GLY  24 -11.712   6.450  -6.887
  175    H    GLN  25           H        GLN  25  -8.446   5.632  -6.902
  176    HA   GLN  25           HA       GLN  25  -8.829   3.783  -9.080
  177   1HB   GLN  25          2HB       GLN  25  -6.930   5.689  -8.593
  178   2HB   GLN  25          1HB       GLN  25  -6.098   4.228  -8.081
  179   1HG   GLN  25          2HG       GLN  25  -7.313   3.629 -10.537
  180   2HG   GLN  25          1HG       GLN  25  -6.585   5.218 -10.718
  181   1HE2  GLN  25          1HE2      GLN  25  -5.885   1.945  -9.576
  182   2HE2  GLN  25          2HE2      GLN  25  -4.226   1.953 -10.048
  183    H    VAL  26           H        VAL  26  -8.865   1.636  -8.804
  184    HA   VAL  26           HA       VAL  26  -8.409   0.548  -6.210
  185    HB   VAL  26           HB       VAL  26 -10.039  -0.328  -7.978
  186   1HG1  VAL  26          1HG1      VAL  26  -8.068  -0.597  -9.643
  187   2HG1  VAL  26          2HG1      VAL  26  -7.807  -2.121  -8.796
  188   3HG1  VAL  26          3HG1      VAL  26  -9.345  -1.814  -9.601
  189   1HG2  VAL  26          1HG2      VAL  26  -8.551  -2.603  -6.844
  190   2HG2  VAL  26          2HG2      VAL  26  -9.095  -1.353  -5.721
  191   3HG2  VAL  26          3HG2      VAL  26 -10.266  -2.198  -6.738
  192    H    PHE  27           H        PHE  27  -6.852  -0.809  -5.541
  193    HA   PHE  27           HA       PHE  27  -4.557  -1.342  -7.225
  194   1HB   PHE  27          2HB       PHE  27  -2.917  -0.337  -5.755
  195   2HB   PHE  27          1HB       PHE  27  -4.064   0.897  -6.251
  196    HD1  PHE  27           1HD      PHE  27  -2.822  -1.118  -3.459
  197    HD2  PHE  27           2HD      PHE  27  -5.582   1.892  -4.662
  198    HE1  PHE  27           1HE      PHE  27  -3.236  -0.564  -1.101
  199    HE2  PHE  27           2HE      PHE  27  -5.996   2.462  -2.308
  200    HZ   PHE  27           HZ       PHE  27  -4.839   1.233  -0.531
  201    H    PHE  28           H        PHE  28  -3.042  -2.802  -6.153
  202    HA   PHE  28           HA       PHE  28  -4.475  -4.500  -4.224
  203   1HB   PHE  28          2HB       PHE  28  -2.608  -5.522  -6.360
  204   2HB   PHE  28          1HB       PHE  28  -3.759  -6.438  -5.391
  205    HD1  PHE  28           1HD      PHE  28  -6.251  -5.805  -5.672
  206    HD2  PHE  28           2HD      PHE  28  -3.225  -4.800  -8.483
  207    HE1  PHE  28           1HE      PHE  28  -7.967  -5.505  -7.395
  208    HE2  PHE  28           2HE      PHE  28  -4.934  -4.494 -10.219
  209    HZ   PHE  28           HZ       PHE  28  -7.313  -4.846  -9.680
  210    H    VAL  29           H        VAL  29  -3.345  -5.292  -2.540
  211    HA   VAL  29           HA       VAL  29  -0.478  -4.676  -2.448
  212    HB   VAL  29           HB       VAL  29  -1.102  -2.942  -1.131
  213   1HG1  VAL  29          1HG1      VAL  29  -3.617  -4.315  -1.025
  214   2HG1  VAL  29          2HG1      VAL  29  -3.205  -3.652   0.556
  215   3HG1  VAL  29          3HG1      VAL  29  -3.263  -2.594  -0.855
  216   1HG2  VAL  29          1HG2      VAL  29   0.051  -4.835   0.272
  217   2HG2  VAL  29          2HG2      VAL  29  -0.526  -3.360   1.045
  218   3HG2  VAL  29          3HG2      VAL  29  -1.489  -4.837   1.133
  219    H    ASP  30           H        ASP  30   0.597  -6.431  -2.128
  220    HA   ASP  30           HA       ASP  30  -0.575  -8.804  -1.019
  221   1HB   ASP  30          2HB       ASP  30   1.139  -9.799  -2.076
  222   2HB   ASP  30          1HB       ASP  30   1.633  -8.210  -2.651
  223    H    HIS  31           H        HIS  31  -0.277  -9.628   1.032
  224    HA   HIS  31           HA       HIS  31   1.010  -7.771   2.924
  225   1HB   HIS  31          2HB       HIS  31  -1.291  -9.681   3.320
  226   2HB   HIS  31          1HB       HIS  31  -0.469  -8.871   4.652
  227    HD1  HIS  31           1HD      HIS  31  -0.952  -6.356   4.997
  228    HD2  HIS  31           2HD      HIS  31  -2.881  -7.994   1.697
  229    HE1  HIS  31           1HE      HIS  31  -2.627  -4.639   4.264
  230    HE2  HIS  31           2HE      HIS  31  -3.917  -5.738   2.409
  231    H    ILE  32           H        ILE  32   2.182 -10.035   1.339
  232    HA   ILE  32           HA       ILE  32   3.221 -11.663   3.560
  233    HB   ILE  32           HB       ILE  32   3.876 -12.085   0.655
  234   1HG1  ILE  32          1HG1      ILE  32   1.387 -11.981   0.955
  235   2HG1  ILE  32          2HG1      ILE  32   2.004 -13.539   0.354
  236   1HG2  ILE  32          1HG2      ILE  32   4.894 -13.951   1.326
  237   2HG2  ILE  32          2HG2      ILE  32   4.774 -13.294   2.960
  238   3HG2  ILE  32          3HG2      ILE  32   3.545 -14.415   2.367
  239   1HD1  ILE  32          1HD1      ILE  32   1.978 -13.928   3.061
  240   2HD1  ILE  32          2HD1      ILE  32   0.559 -12.910   2.817
  241   3HD1  ILE  32          3HD1      ILE  32   0.711 -14.434   1.946
  242    H    ASN  33           H        ASN  33   4.341  -9.940   0.658
  243    HA   ASN  33           HA       ASN  33   6.907  -9.392   1.987
  244   1HB   ASN  33          2HB       ASN  33   6.537  -8.381  -0.751
  245   2HB   ASN  33          1HB       ASN  33   7.870  -9.289  -0.068
  246   1HD2  ASN  33          1HD2      ASN  33   7.343 -11.631   0.334
  247   2HD2  ASN  33          2HD2      ASN  33   6.434 -12.417  -0.898
  248    H    LYS  34           H        LYS  34   3.960  -7.983   0.955
  249    HA   LYS  34           HA       LYS  34   2.903  -6.131   1.710
  250   1HB   LYS  34          2HB       LYS  34   5.518  -5.499   3.078
  251   2HB   LYS  34          1HB       LYS  34   4.051  -4.547   3.248
  252   1HG   LYS  34          2HG       LYS  34   3.800  -7.431   3.806
  253   2HG   LYS  34          1HG       LYS  34   4.759  -6.490   4.947
  254   1HD   LYS  34          2HD       LYS  34   2.539  -4.911   4.525
  255   2HD   LYS  34          1HD       LYS  34   1.880  -6.547   4.522
  256   1HE   LYS  34          2HE       LYS  34   1.919  -6.479   6.738
  257   2HE   LYS  34          1HE       LYS  34   3.678  -6.507   6.643
  258   1HZ   LYS  34          1HZ       LYS  34   3.487  -4.593   7.761
  259   2HZ   LYS  34          2HZ       LYS  34   1.889  -4.316   7.263
  260   3HZ   LYS  34          3HZ       LYS  34   3.178  -3.915   6.233
  261    H    ARG  35           H        ARG  35   3.361  -6.018  -0.792
  262    HA   ARG  35           HA       ARG  35   4.437  -3.295  -1.193
  263   1HB   ARG  35          2HB       ARG  35   4.391  -4.488  -3.719
  264   2HB   ARG  35          1HB       ARG  35   5.804  -4.086  -2.760
  265   1HG   ARG  35          2HG       ARG  35   6.330  -6.231  -2.674
  266   2HG   ARG  35          1HG       ARG  35   4.829  -6.551  -1.802
  267   1HD   ARG  35          2HD       ARG  35   3.651  -6.748  -3.957
  268   2HD   ARG  35          1HD       ARG  35   5.184  -6.512  -4.796
  269    HE   ARG  35           HE       ARG  35   4.877  -8.747  -2.907
  270   1HH1  ARG  35          2HH1      ARG  35   5.355  -7.590  -6.186
  271   2HH1  ARG  35          1HH1      ARG  35   5.820  -9.148  -6.798
  272   1HH2  ARG  35          2HH2      ARG  35   5.472 -10.790  -3.717
  273   2HH2  ARG  35          1HH2      ARG  35   5.869 -10.973  -5.407
  274    H    THR  36           H        THR  36   2.985  -1.846  -1.711
  275    HA   THR  36           HA       THR  36   0.350  -2.576  -2.686
  276    HB   THR  36           HB       THR  36   0.556   0.186  -2.766
  277    HG1  THR  36           1HG      THR  36   1.585   0.688  -0.747
  278   1HG2  THR  36          1HG2      THR  36  -0.305  -1.570  -0.471
  279   2HG2  THR  36          2HG2      THR  36  -1.304  -1.070  -1.837
  280   3HG2  THR  36          3HG2      THR  36  -0.730   0.131  -0.679
  281    H    THR  37           H        THR  37  -0.023  -2.768  -4.838
  282    HA   THR  37           HA       THR  37   1.522  -1.036  -6.655
  283    HB   THR  37           HB       THR  37   2.333  -3.300  -6.976
  284    HG1  THR  37           1HG      THR  37   2.288  -2.378  -8.948
  285   1HG2  THR  37          1HG2      THR  37  -0.235  -4.102  -6.336
  286   2HG2  THR  37          2HG2      THR  37   1.071  -5.141  -6.903
  287   3HG2  THR  37          3HG2      THR  37  -0.092  -4.482  -8.052
  288    H    TYR  38           H        TYR  38   0.418   0.059  -8.170
  289    HA   TYR  38           HA       TYR  38  -2.484   0.048  -7.937
  290   1HB   TYR  38          2HB       TYR  38  -0.467   1.912  -9.142
  291   2HB   TYR  38          1HB       TYR  38  -2.155   2.024  -9.619
  292    HD1  TYR  38           1HD      TYR  38  -3.620   3.304  -8.368
  293    HD2  TYR  38           2HD      TYR  38   0.017   2.013  -6.595
  294    HE1  TYR  38           1HE      TYR  38  -4.088   4.716  -6.414
  295    HE2  TYR  38           2HE      TYR  38  -0.433   3.412  -4.629
  296    HH   TYR  38           HH       TYR  38  -3.208   5.600  -4.526
  297    H    LEU  39           H        LEU  39  -0.600  -1.908  -9.513
  298    HA   LEU  39           HA       LEU  39  -2.233  -1.880 -11.964
  299   1HB   LEU  39          2HB       LEU  39   0.464  -1.532 -11.908
  300   2HB   LEU  39          1HB       LEU  39   0.359  -3.272 -12.080
  301    HG   LEU  39           HG       LEU  39   0.464  -1.643 -14.172
  302   1HD1  LEU  39          1HD1      LEU  39  -1.447  -3.914 -14.425
  303   2HD1  LEU  39          2HD1      LEU  39  -0.110  -3.439 -15.472
  304   3HD1  LEU  39          3HD1      LEU  39   0.219  -4.230 -13.932
  305   1HD2  LEU  39          1HD2      LEU  39  -1.776  -0.635 -13.288
  306   2HD2  LEU  39          2HD2      LEU  39  -1.533  -0.889 -15.015
  307   3HD2  LEU  39          3HD2      LEU  39  -2.487  -2.041 -14.079
  308    H    ASP  40           H        ASP  40  -2.632  -3.976 -12.898
  309    HA   ASP  40           HA       ASP  40  -3.460  -5.832 -10.885
  310   1HB   ASP  40          2HB       ASP  40  -4.652  -5.268 -13.096
  311   2HB   ASP  40          1HB       ASP  40  -3.498  -6.364 -13.851
  312    HA   PRO  41           HA       PRO  41   0.309  -8.202 -11.289
  313   1HB   PRO  41          2HB       PRO  41   0.146  -9.343  -8.831
  314   2HB   PRO  41          1HB       PRO  41   0.663  -7.676  -9.087
  315   1HG   PRO  41          2HG       PRO  41  -1.801  -8.678  -7.891
  316   2HG   PRO  41          1HG       PRO  41  -1.130  -7.041  -7.858
  317   1HD   PRO  41          2HD       PRO  41  -3.222  -8.133  -9.568
  318   2HD   PRO  41          1HD       PRO  41  -2.722  -6.443  -9.352
  319    H    ARG  42           H        ARG  42  -2.041  -9.232 -12.580
  320    HA   ARG  42           HA       ARG  42  -1.755 -12.085 -11.894
  321   1HB   ARG  42          2HB       ARG  42  -4.109 -10.472 -12.562
  322   2HB   ARG  42          1HB       ARG  42  -3.990 -11.962 -13.487
  323   1HG   ARG  42          2HG       ARG  42  -4.923 -12.994 -11.761
  324   2HG   ARG  42          1HG       ARG  42  -3.421 -12.716 -10.877
  325   1HD   ARG  42          2HD       ARG  42  -5.674 -11.924  -9.857
  326   2HD   ARG  42          1HD       ARG  42  -4.259 -10.879  -9.761
  327    HE   ARG  42           HE       ARG  42  -5.186  -9.511 -11.481
  328   1HH1  ARG  42          2HH1      ARG  42  -7.336 -12.057 -10.390
  329   2HH1  ARG  42          1HH1      ARG  42  -8.776 -11.253 -10.940
  330   1HH2  ARG  42          2HH2      ARG  42  -7.061  -8.449 -12.196
  331   2HH2  ARG  42          1HH2      ARG  42  -8.620  -9.203 -11.977
  332    H    LEU  43           H        LEU  43  -0.826  -9.796 -14.068
  333    HA   LEU  43           HA       LEU  43  -1.326 -10.735 -16.593
  334   1HB   LEU  43          2HB       LEU  43   0.975  -9.234 -15.389
  335   2HB   LEU  43          1HB       LEU  43   0.981  -9.661 -17.086
  336    HG   LEU  43           HG       LEU  43   0.099  -7.318 -16.206
  337   1HD1  LEU  43          1HD1      LEU  43   0.351  -8.129 -18.540
  338   2HD1  LEU  43          2HD1      LEU  43  -1.278  -8.801 -18.429
  339   3HD1  LEU  43          3HD1      LEU  43  -1.030  -7.059 -18.293
  340   1HD2  LEU  43          1HD2      LEU  43  -1.695  -7.997 -14.832
  341   2HD2  LEU  43          2HD2      LEU  43  -2.425  -7.373 -16.314
  342   3HD2  LEU  43          3HD2      LEU  43  -2.305  -9.114 -16.052
  343    H    ALA  44           H        ALA  44   1.968 -11.074 -15.322
  344    HA   ALA  44           HA       ALA  44   2.115 -13.712 -16.618
  345   1HB   ALA  44          1HB       ALA  44   4.281 -13.287 -17.138
  346   2HB   ALA  44          2HB       ALA  44   3.738 -11.616 -16.991
  347   3HB   ALA  44          3HB       ALA  44   4.577 -12.393 -15.648
  348    H    PHE  45           H        PHE  45   1.262 -12.713 -13.785
  349    HA   PHE  45           HA       PHE  45   3.093 -14.356 -12.193
  350   1HB   PHE  45          2HB       PHE  45   0.993 -12.464 -11.135
  351   2HB   PHE  45          1HB       PHE  45   2.368 -13.146 -10.272
  352    HD1  PHE  45           1HD      PHE  45   4.711 -12.596 -11.460
  353    HD2  PHE  45           2HD      PHE  45   1.157 -10.283 -11.791
  354    HE1  PHE  45           1HE      PHE  45   6.053 -10.620 -12.050
  355    HE2  PHE  45           2HE      PHE  45   2.491  -8.306 -12.389
  356    HZ   PHE  45           HZ       PHE  45   4.943  -8.475 -12.514
  357    H    THR  46           H        THR  46   1.824 -16.117 -13.424
  358    HA   THR  46           HA       THR  46  -0.742 -16.781 -12.301
  359    HB   THR  46           HB       THR  46   1.019 -18.687 -13.830
  360    HG1  THR  46           1HG      THR  46  -0.611 -16.577 -14.859
  361   1HG2  THR  46          1HG2      THR  46  -1.748 -18.608 -12.955
  362   2HG2  THR  46          2HG2      THR  46  -0.818 -19.953 -13.610
  363   3HG2  THR  46          3HG2      THR  46  -1.621 -18.827 -14.701
  364    H    VAL  47           H        VAL  47  -1.147 -18.059 -10.600
  365    HA   VAL  47           HA       VAL  47   1.020 -18.750  -8.851
  366    HB   VAL  47           HB       VAL  47  -1.776 -19.680  -8.337
  367   1HG1  VAL  47          1HG1      VAL  47  -1.193 -19.582  -6.134
  368   2HG1  VAL  47          2HG1      VAL  47   0.397 -19.877  -6.847
  369   3HG1  VAL  47          3HG1      VAL  47  -0.072 -18.241  -6.376
  370   1HG2  VAL  47          1HG2      VAL  47  -1.556 -17.187  -9.255
  371   2HG2  VAL  47          2HG2      VAL  47  -2.682 -17.631  -7.971
  372   3HG2  VAL  47          3HG2      VAL  47  -1.130 -16.897  -7.569
  373    H    ASP  48           H        ASP  48   2.134 -20.545  -8.964
  374    HA   ASP  48           HA       ASP  48   0.962 -22.934 -10.205
  375   1HB   ASP  48          2HB       ASP  48   3.096 -22.413 -11.132
  376   2HB   ASP  48          1HB       ASP  48   3.800 -22.137  -9.542
  377    H    ASP  49           H        ASP  49  -0.274 -23.875  -8.687
  378    HA   ASP  49           HA       ASP  49  -0.955 -24.888  -6.769
  379   1HB   ASP  49          2HB       ASP  49   1.345 -26.107  -7.409
  380   2HB   ASP  49          1HB       ASP  49   1.838 -25.409  -5.871
  381    H    ASN  50           H        ASN  50   0.154 -25.024  -4.202
  382    HA   ASN  50           HA       ASN  50   1.019 -22.333  -3.482
  383   1HB   ASN  50          2HB       ASN  50  -0.730 -22.488  -1.521
  384   2HB   ASN  50          1HB       ASN  50  -1.209 -21.853  -3.091
  385   1HD2  ASN  50          1HD2      ASN  50  -3.103 -22.568  -3.735
  386   2HD2  ASN  50          2HD2      ASN  50  -3.769 -24.130  -3.416
  387    HA   PRO  51           HA       PRO  51   2.739 -25.685  -0.786
  388   1HB   PRO  51          2HB       PRO  51   4.934 -26.476  -2.092
  389   2HB   PRO  51          1HB       PRO  51   3.337 -27.083  -2.546
  390   1HG   PRO  51          2HG       PRO  51   5.080 -25.162  -3.952
  391   2HG   PRO  51          1HG       PRO  51   3.796 -26.193  -4.596
  392   1HD   PRO  51          2HD       PRO  51   3.658 -23.404  -3.870
  393   2HD   PRO  51          1HD       PRO  51   2.386 -24.424  -4.572
  394    H    THR  52           H        THR  52   5.065 -25.844   0.165
  395    HA   THR  52           HA       THR  52   6.074 -23.183   0.670
  396    HB   THR  52           HB       THR  52   7.435 -25.712   1.559
  397    HG1  THR  52           1HG      THR  52   5.626 -24.697   3.356
  398   1HG2  THR  52          1HG2      THR  52   8.564 -23.614   2.040
  399   2HG2  THR  52          2HG2      THR  52   7.954 -24.323   3.537
  400   3HG2  THR  52          3HG2      THR  52   7.101 -22.976   2.788
  401    H    LYS  53           H        LYS  53   6.430 -23.092  -1.785
  402    HA   LYS  53           HA       LYS  53   8.950 -24.325  -2.589
  403   1HB   LYS  53          2HB       LYS  53   7.784 -24.554  -4.492
  404   2HB   LYS  53          1HB       LYS  53   6.561 -23.407  -3.976
  405   1HG   LYS  53          2HG       LYS  53   7.332 -22.293  -5.784
  406   2HG   LYS  53          1HG       LYS  53   8.481 -21.678  -4.596
  407   1HD   LYS  53          2HD       LYS  53  10.024 -23.547  -5.269
  408   2HD   LYS  53          1HD       LYS  53   8.911 -23.895  -6.591
  409   1HE   LYS  53          2HE       LYS  53   9.568 -22.098  -7.788
  410   2HE   LYS  53          1HE       LYS  53   9.715 -21.080  -6.357
  411   1HZ   LYS  53          1HZ       LYS  53  11.840 -21.525  -7.511
  412   2HZ   LYS  53          2HZ       LYS  53  11.688 -23.167  -7.116
  413   3HZ   LYS  53          3HZ       LYS  53  11.844 -22.006  -5.884
  414    HA   PRO  54           HA       PRO  54  10.911 -20.372  -1.819
  415   1HB   PRO  54          2HB       PRO  54  13.438 -21.649  -2.103
  416   2HB   PRO  54          1HB       PRO  54  12.615 -21.228  -0.602
  417   1HG   PRO  54          2HG       PRO  54  13.117 -23.809  -1.488
  418   2HG   PRO  54          1HG       PRO  54  11.918 -23.360  -0.265
  419   1HD   PRO  54          2HD       PRO  54  11.534 -23.952  -3.168
  420   2HD   PRO  54          1HD       PRO  54  10.492 -24.352  -1.785
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -7.535  -8.239  18.384
    2   2H    GLY   1          2H        GLY   1  -7.965  -6.631  18.712
    3   3H    GLY   1          3H        GLY   1  -8.581  -7.408  17.340
    4   1HA   GLY   1          2HA       GLY   1  -9.127  -8.374  20.085
    5   2HA   GLY   1          1HA       GLY   1 -10.150  -7.187  19.285
    6    H    SER   2           H        SER   2 -11.397  -7.809  17.496
    7    HA   SER   2           HA       SER   2 -11.659 -10.728  17.178
    8   1HB   SER   2          2HB       SER   2 -13.792  -8.935  16.157
    9   2HB   SER   2          1HB       SER   2 -13.923 -10.478  17.000
   10    HG   SER   2           HG       SER   2 -13.943  -9.483  18.878
   11    H    ALA   3           H        ALA   3 -11.828 -11.603  15.087
   12    HA   ALA   3           HA       ALA   3 -10.537  -9.965  13.038
   13   1HB   ALA   3          1HB       ALA   3  -9.360 -11.933  13.178
   14   2HB   ALA   3          2HB       ALA   3 -10.798 -12.892  13.539
   15   3HB   ALA   3          3HB       ALA   3 -10.501 -12.330  11.895
   16    H    LYS   4           H        LYS   4 -11.756 -12.167  11.174
   17    HA   LYS   4           HA       LYS   4 -14.527 -11.480  10.973
   18   1HB   LYS   4          2HB       LYS   4 -12.686  -9.725   9.740
   19   2HB   LYS   4          1HB       LYS   4 -13.381 -10.692   8.447
   20   1HG   LYS   4          2HG       LYS   4 -15.565  -9.965   8.937
   21   2HG   LYS   4          1HG       LYS   4 -15.076  -9.290  10.491
   22   1HD   LYS   4          2HD       LYS   4 -13.947  -8.278   7.903
   23   2HD   LYS   4          1HD       LYS   4 -15.467  -7.665   8.553
   24   1HE   LYS   4          2HE       LYS   4 -12.967  -7.743  10.208
   25   2HE   LYS   4          1HE       LYS   4 -13.306  -6.401   9.118
   26   1HZ   LYS   4          1HZ       LYS   4 -14.088  -6.422  11.635
   27   2HZ   LYS   4          2HZ       LYS   4 -15.440  -7.187  10.948
   28   3HZ   LYS   4          3HZ       LYS   4 -14.979  -5.645  10.416
   29    H    ARG   5           H        ARG   5 -15.472 -12.503   8.940
   30    HA   ARG   5           HA       ARG   5 -14.343 -15.086   8.477
   31   1HB   ARG   5          2HB       ARG   5 -16.737 -13.602   7.633
   32   2HB   ARG   5          1HB       ARG   5 -16.124 -14.719   6.423
   33   1HG   ARG   5          2HG       ARG   5 -16.161 -16.496   8.207
   34   2HG   ARG   5          1HG       ARG   5 -17.037 -15.343   9.216
   35   1HD   ARG   5          2HD       ARG   5 -18.466 -15.206   6.919
   36   2HD   ARG   5          1HD       ARG   5 -17.939 -16.888   6.879
   37    HE   ARG   5           HE       ARG   5 -18.877 -16.565   9.415
   38   1HH1  ARG   5          2HH1      ARG   5 -20.238 -15.991   6.230
   39   2HH1  ARG   5          1HH1      ARG   5 -21.868 -16.295   6.745
   40   1HH2  ARG   5          2HH2      ARG   5 -21.007 -16.968  10.078
   41   2HH2  ARG   5          1HH2      ARG   5 -22.311 -16.864   8.933
   42    H    LYS   6           H        LYS   6 -15.276 -12.870   5.901
   43    HA   LYS   6           HA       LYS   6 -14.260 -12.217   3.972
   44   1HB   LYS   6          2HB       LYS   6 -12.886 -11.225   6.114
   45   2HB   LYS   6          1HB       LYS   6 -11.600 -11.983   5.185
   46   1HG   LYS   6          2HG       LYS   6 -13.408 -10.376   3.558
   47   2HG   LYS   6          1HG       LYS   6 -12.569  -9.456   4.809
   48   1HD   LYS   6          2HD       LYS   6 -11.234 -11.272   2.802
   49   2HD   LYS   6          1HD       LYS   6 -11.324  -9.514   2.679
   50   1HE   LYS   6          2HE       LYS   6 -10.283 -10.492   5.237
   51   2HE   LYS   6          1HE       LYS   6  -9.282 -10.909   3.845
   52   1HZ   LYS   6          1HZ       LYS   6 -10.265  -8.155   4.311
   53   2HZ   LYS   6          2HZ       LYS   6  -9.012  -8.663   3.289
   54   3HZ   LYS   6          3HZ       LYS   6  -8.807  -8.711   4.974
   55    H    ARG   7           H        ARG   7 -14.350 -15.003   4.150
   56    HA   ARG   7           HA       ARG   7 -11.999 -15.674   2.549
   57   1HB   ARG   7          2HB       ARG   7 -12.828 -16.932   5.100
   58   2HB   ARG   7          1HB       ARG   7 -12.385 -18.040   3.811
   59   1HG   ARG   7          2HG       ARG   7 -10.201 -17.126   3.660
   60   2HG   ARG   7          1HG       ARG   7 -10.629 -15.771   4.701
   61   1HD   ARG   7          2HD       ARG   7  -9.631 -17.043   6.276
   62   2HD   ARG   7          1HD       ARG   7 -11.220 -17.803   6.346
   63    HE   ARG   7           HE       ARG   7 -10.318 -19.521   4.815
   64   1HH1  ARG   7          2HH1      ARG   7  -8.102 -17.604   6.765
   65   2HH1  ARG   7          1HH1      ARG   7  -6.826 -18.779   6.682
   66   1HH2  ARG   7          2HH2      ARG   7  -8.616 -21.057   4.698
   67   2HH2  ARG   7          1HH2      ARG   7  -7.125 -20.741   5.530
   68    H    VAL   8           H        VAL   8 -14.381 -14.960   1.497
   69    HA   VAL   8           HA       VAL   8 -15.768 -17.468   0.845
   70    HB   VAL   8           HB       VAL   8 -16.715 -14.698   0.128
   71   1HG1  VAL   8          1HG1      VAL   8 -18.012 -16.104  -1.102
   72   2HG1  VAL   8          2HG1      VAL   8 -17.823 -17.447   0.027
   73   3HG1  VAL   8          3HG1      VAL   8 -18.933 -16.126   0.402
   74   1HG2  VAL   8          1HG2      VAL   8 -17.765 -14.408   2.139
   75   2HG2  VAL   8          2HG2      VAL   8 -17.855 -16.138   2.468
   76   3HG2  VAL   8          3HG2      VAL   8 -16.330 -15.278   2.676
   77    H    ALA   9           H        ALA   9 -14.567 -14.501  -0.707
   78    HA   ALA   9           HA       ALA   9 -13.775 -16.078  -3.033
   79   1HB   ALA   9          1HB       ALA   9 -16.127 -14.578  -3.026
   80   2HB   ALA   9          2HB       ALA   9 -14.958 -13.598  -3.914
   81   3HB   ALA   9          3HB       ALA   9 -15.297 -15.251  -4.429
   82    H    GLY  10           H        GLY  10 -11.886 -15.432  -3.862
   83   1HA   GLY  10          1HA       GLY  10 -10.977 -12.678  -3.366
   84   2HA   GLY  10          2HA       GLY  10  -9.926 -14.025  -2.948
   85    H    ASP  11           H        ASP  11 -10.623 -11.811  -5.278
   86    HA   ASP  11           HA       ASP  11 -10.328 -13.346  -7.653
   87   1HB   ASP  11          2HB       ASP  11 -11.017 -10.734  -7.071
   88   2HB   ASP  11          1HB       ASP  11  -9.445 -10.566  -7.849
   89    H    LEU  12           H        LEU  12  -8.110 -11.327  -5.794
   90    HA   LEU  12           HA       LEU  12  -5.818 -12.018  -7.376
   91   1HB   LEU  12          2HB       LEU  12  -5.933 -10.728  -4.646
   92   2HB   LEU  12          1HB       LEU  12  -4.583 -10.700  -5.766
   93    HG   LEU  12           HG       LEU  12  -7.155  -9.577  -6.718
   94   1HD1  LEU  12          1HD1      LEU  12  -5.391  -8.267  -4.659
   95   2HD1  LEU  12          2HD1      LEU  12  -6.556  -7.397  -5.657
   96   3HD1  LEU  12          3HD1      LEU  12  -7.112  -8.632  -4.527
   97   1HD2  LEU  12          1HD2      LEU  12  -4.232  -8.961  -7.041
   98   2HD2  LEU  12          2HD2      LEU  12  -5.359  -9.581  -8.250
   99   3HD2  LEU  12          3HD2      LEU  12  -5.511  -7.922  -7.673
  100    HA   PRO  13           HA       PRO  13  -4.116 -15.454  -4.997
  101   1HB   PRO  13          2HB       PRO  13  -1.795 -13.719  -4.317
  102   2HB   PRO  13          1HB       PRO  13  -1.817 -15.330  -5.035
  103   1HG   PRO  13          2HG       PRO  13  -1.278 -13.201  -6.527
  104   2HG   PRO  13          1HG       PRO  13  -2.288 -14.517  -7.161
  105   1HD   PRO  13          2HD       PRO  13  -3.108 -11.830  -6.123
  106   2HD   PRO  13          1HD       PRO  13  -3.742 -12.747  -7.503
  107    H    TYR  14           H        TYR  14  -3.430 -16.016  -2.801
  108    HA   TYR  14           HA       TYR  14  -5.285 -14.984  -0.988
  109   1HB   TYR  14          2HB       TYR  14  -4.794 -17.121  -0.433
  110   2HB   TYR  14          1HB       TYR  14  -3.121 -16.987  -0.956
  111    HD1  TYR  14           1HD      TYR  14  -5.444 -16.529   1.840
  112    HD2  TYR  14           2HD      TYR  14  -1.391 -16.317   0.587
  113    HE1  TYR  14           1HE      TYR  14  -4.736 -16.391   4.187
  114    HE2  TYR  14           2HE      TYR  14  -0.665 -16.175   2.925
  115    HH   TYR  14           HH       TYR  14  -2.871 -15.636   5.507
  116    H    GLY  15           H        GLY  15  -1.885 -14.191  -1.404
  117   1HA   GLY  15          1HA       GLY  15  -1.643 -12.755   1.064
  118   2HA   GLY  15          2HA       GLY  15  -0.492 -12.753  -0.267
  119    H    TRP  16           H        TRP  16  -2.791 -11.924  -2.087
  120    HA   TRP  16           HA       TRP  16  -2.259  -9.100  -1.765
  121   1HB   TRP  16          2HB       TRP  16  -3.622 -10.678  -3.944
  122   2HB   TRP  16          1HB       TRP  16  -3.413  -8.928  -3.982
  123    HD1  TRP  16           HD       TRP  16  -1.388 -12.180  -4.154
  124    HE1  TRP  16           1HE      TRP  16   0.909 -11.687  -5.171
  125    HE3  TRP  16           3HE      TRP  16  -1.765  -7.101  -4.338
  126    HZ2  TRP  16           2HZ      TRP  16   2.371  -9.341  -5.966
  127    HZ3  TRP  16           3HZ      TRP  16   0.115  -5.801  -5.229
  128    HH2  TRP  16           HH       TRP  16   2.143  -6.903  -6.029
  129    H    GLU  17           H        GLU  17  -3.719  -7.488  -1.529
  130    HA   GLU  17           HA       GLU  17  -6.537  -8.237  -1.125
  131   1HB   GLU  17          2HB       GLU  17  -4.734  -6.541   0.517
  132   2HB   GLU  17          1HB       GLU  17  -6.390  -5.982   0.318
  133   1HG   GLU  17          2HG       GLU  17  -5.978  -8.813   1.089
  134   2HG   GLU  17          1HG       GLU  17  -5.663  -7.573   2.300
  135    H    GLN  18           H        GLN  18  -8.027  -7.000  -2.159
  136    HA   GLN  18           HA       GLN  18  -7.005  -5.101  -4.124
  137   1HB   GLN  18          2HB       GLN  18  -8.579  -6.897  -4.818
  138   2HB   GLN  18          1HB       GLN  18  -9.810  -6.191  -3.776
  139   1HG   GLN  18          2HG       GLN  18  -9.997  -4.279  -5.134
  140   2HG   GLN  18          1HG       GLN  18  -8.509  -4.656  -6.003
  141   1HE2  GLN  18          1HE2      GLN  18  -9.447  -4.670  -8.017
  142   2HE2  GLN  18          2HE2      GLN  18 -10.545  -5.904  -8.534
  143    H    GLU  19           H        GLU  19  -6.600  -3.223  -3.079
  144    HA   GLU  19           HA       GLU  19  -8.682  -2.121  -1.320
  145   1HB   GLU  19          2HB       GLU  19  -5.915  -0.992  -1.528
  146   2HB   GLU  19          1HB       GLU  19  -7.025  -0.955  -0.171
  147   1HG   GLU  19          2HG       GLU  19  -6.210  -3.647  -0.926
  148   2HG   GLU  19          1HG       GLU  19  -4.867  -2.605  -0.451
  149    H    THR  20           H        THR  20  -8.862   0.285  -1.356
  150    HA   THR  20           HA       THR  20  -8.422   1.359  -4.062
  151    HB   THR  20           HB       THR  20 -10.738   2.232  -2.355
  152    HG1  THR  20           1HG      THR  20 -10.974  -0.027  -2.716
  153   1HG2  THR  20          1HG2      THR  20 -11.234   3.531  -4.112
  154   2HG2  THR  20          2HG2      THR  20 -11.017   2.194  -5.247
  155   3HG2  THR  20          3HG2      THR  20  -9.620   3.141  -4.720
  156    H    ASP  21           H        ASP  21  -7.580   3.384  -4.191
  157    HA   ASP  21           HA       ASP  21  -6.448   4.447  -1.775
  158   1HB   ASP  21          2HB       ASP  21  -4.961   5.522  -3.125
  159   2HB   ASP  21          1HB       ASP  21  -5.510   4.328  -4.286
  160    H    GLU  22           H        GLU  22  -6.396   7.023  -1.946
  161    HA   GLU  22           HA       GLU  22  -8.962   7.782  -0.971
  162   1HB   GLU  22          2HB       GLU  22  -7.744  10.152  -1.111
  163   2HB   GLU  22          1HB       GLU  22  -7.396   8.982   0.152
  164   1HG   GLU  22          2HG       GLU  22  -5.682   8.301  -1.926
  165   2HG   GLU  22          1HG       GLU  22  -5.673  10.066  -1.884
  166    H    ASN  23           H        ASN  23  -7.342   8.180  -4.038
  167    HA   ASN  23           HA       ASN  23  -9.141  10.185  -5.034
  168   1HB   ASN  23          2HB       ASN  23  -7.157   8.359  -6.400
  169   2HB   ASN  23          1HB       ASN  23  -8.132   9.535  -7.271
  170   1HD2  ASN  23          1HD2      ASN  23  -5.572   9.077  -4.964
  171   2HD2  ASN  23          2HD2      ASN  23  -4.942  10.696  -5.052
  172    H    GLY  24           H        GLY  24  -8.946   6.709  -5.034
  173   1HA   GLY  24          1HA       GLY  24 -11.081   5.521  -4.994
  174   2HA   GLY  24          2HA       GLY  24 -11.648   6.629  -6.237
  175    H    GLN  25           H        GLN  25  -8.415   5.546  -6.487
  176    HA   GLN  25           HA       GLN  25  -9.137   3.823  -8.702
  177   1HB   GLN  25          2HB       GLN  25  -6.314   4.446  -7.920
  178   2HB   GLN  25          1HB       GLN  25  -6.960   4.064  -9.508
  179   1HG   GLN  25          2HG       GLN  25  -7.586   6.206  -9.922
  180   2HG   GLN  25          1HG       GLN  25  -7.891   6.560  -8.220
  181   1HE2  GLN  25          1HE2      GLN  25  -6.049   6.873  -6.834
  182   2HE2  GLN  25          2HE2      GLN  25  -4.581   7.516  -7.496
  183    H    VAL  26           H        VAL  26  -8.938   1.643  -8.584
  184    HA   VAL  26           HA       VAL  26  -8.345   0.529  -5.999
  185    HB   VAL  26           HB       VAL  26 -10.066  -0.300  -7.818
  186   1HG1  VAL  26          1HG1      VAL  26  -9.087  -2.459  -8.806
  187   2HG1  VAL  26          2HG1      VAL  26  -8.729  -0.930  -9.611
  188   3HG1  VAL  26          3HG1      VAL  26  -7.523  -1.677  -8.561
  189   1HG2  VAL  26          1HG2      VAL  26 -10.438  -2.094  -6.480
  190   2HG2  VAL  26          2HG2      VAL  26  -8.727  -2.521  -6.395
  191   3HG2  VAL  26          3HG2      VAL  26  -9.351  -1.173  -5.437
  192    H    PHE  27           H        PHE  27  -6.797  -0.985  -5.553
  193    HA   PHE  27           HA       PHE  27  -4.648  -1.502  -7.401
  194   1HB   PHE  27          2HB       PHE  27  -2.871  -0.529  -6.048
  195   2HB   PHE  27          1HB       PHE  27  -4.015   0.724  -6.501
  196    HD1  PHE  27           1HD      PHE  27  -2.498  -1.118  -3.777
  197    HD2  PHE  27           2HD      PHE  27  -5.568   1.650  -4.807
  198    HE1  PHE  27           1HE      PHE  27  -2.736  -0.507  -1.414
  199    HE2  PHE  27           2HE      PHE  27  -5.809   2.277  -2.450
  200    HZ   PHE  27           HZ       PHE  27  -4.414   1.197  -0.753
  201    H    PHE  28           H        PHE  28  -3.044  -2.956  -6.429
  202    HA   PHE  28           HA       PHE  28  -4.383  -4.682  -4.457
  203   1HB   PHE  28          2HB       PHE  28  -2.468  -5.628  -6.577
  204   2HB   PHE  28          1HB       PHE  28  -3.620  -6.582  -5.642
  205    HD1  PHE  28           1HD      PHE  28  -6.149  -5.662  -5.935
  206    HD2  PHE  28           2HD      PHE  28  -3.010  -5.246  -8.764
  207    HE1  PHE  28           1HE      PHE  28  -7.804  -5.403  -7.722
  208    HE2  PHE  28           2HE      PHE  28  -4.659  -4.980 -10.560
  209    HZ   PHE  28           HZ       PHE  28  -7.065  -5.057 -10.045
  210    H    VAL  29           H        VAL  29  -3.273  -5.211  -2.682
  211    HA   VAL  29           HA       VAL  29  -0.378  -4.738  -2.697
  212    HB   VAL  29           HB       VAL  29  -0.750  -2.984  -1.368
  213   1HG1  VAL  29          1HG1      VAL  29  -2.958  -2.536  -1.603
  214   2HG1  VAL  29          2HG1      VAL  29  -3.464  -4.129  -1.049
  215   3HG1  VAL  29          3HG1      VAL  29  -2.922  -2.920   0.117
  216   1HG2  VAL  29          1HG2      VAL  29  -0.040  -3.569   0.657
  217   2HG2  VAL  29          2HG2      VAL  29  -1.604  -4.293   1.054
  218   3HG2  VAL  29          3HG2      VAL  29  -0.369  -5.249   0.230
  219    H    ASP  30           H        ASP  30   0.712  -6.448  -2.240
  220    HA   ASP  30           HA       ASP  30  -0.386  -8.771  -0.989
  221   1HB   ASP  30          2HB       ASP  30   1.524  -8.786  -2.634
  222   2HB   ASP  30          1HB       ASP  30   2.528  -8.030  -1.399
  223    H    HIS  31           H        HIS  31  -0.684  -9.021   1.140
  224    HA   HIS  31           HA       HIS  31   0.348  -6.922   2.878
  225   1HB   HIS  31          2HB       HIS  31  -1.863  -8.914   3.062
  226   2HB   HIS  31          1HB       HIS  31  -1.195  -8.257   4.557
  227    HD1  HIS  31           1HD      HIS  31  -1.339  -5.588   4.816
  228    HD2  HIS  31           2HD      HIS  31  -3.576  -7.243   1.726
  229    HE1  HIS  31           1HE      HIS  31  -2.909  -3.776   4.063
  230    HE2  HIS  31           2HE      HIS  31  -4.303  -4.807   2.238
  231    H    ILE  32           H        ILE  32   1.432  -9.810   1.861
  232    HA   ILE  32           HA       ILE  32   2.826 -10.401   4.380
  233    HB   ILE  32           HB       ILE  32   2.852 -12.047   1.853
  234   1HG1  ILE  32          1HG1      ILE  32   1.128 -12.616   4.255
  235   2HG1  ILE  32          2HG1      ILE  32   0.545 -11.592   2.921
  236   1HG2  ILE  32          1HG2      ILE  32   4.119 -12.253   4.443
  237   2HG2  ILE  32          2HG2      ILE  32   3.143 -13.677   4.084
  238   3HG2  ILE  32          3HG2      ILE  32   4.414 -13.174   2.970
  239   1HD1  ILE  32          1HD1      ILE  32   0.411 -14.372   3.112
  240   2HD1  ILE  32          2HD1      ILE  32   0.045 -13.375   1.703
  241   3HD1  ILE  32          3HD1      ILE  32   1.663 -14.049   1.910
  242    H    ASN  33           H        ASN  33   3.401 -10.046   0.891
  243    HA   ASN  33           HA       ASN  33   6.253  -9.639   1.356
  244   1HB   ASN  33          2HB       ASN  33   4.612  -9.787  -1.173
  245   2HB   ASN  33          1HB       ASN  33   6.346  -9.518  -1.151
  246   1HD2  ASN  33          1HD2      ASN  33   3.918 -11.776  -1.254
  247   2HD2  ASN  33          2HD2      ASN  33   4.875 -13.186  -0.914
  248    H    LYS  34           H        LYS  34   3.731  -7.762   1.720
  249    HA   LYS  34           HA       LYS  34   3.193  -5.579   1.578
  250   1HB   LYS  34          2HB       LYS  34   5.025  -4.042   2.376
  251   2HB   LYS  34          1HB       LYS  34   4.626  -5.399   3.416
  252   1HG   LYS  34          2HG       LYS  34   6.805  -5.914   1.524
  253   2HG   LYS  34          1HG       LYS  34   7.137  -4.658   2.720
  254   1HD   LYS  34          2HD       LYS  34   6.299  -6.307   4.460
  255   2HD   LYS  34          1HD       LYS  34   6.378  -7.527   3.189
  256   1HE   LYS  34          2HE       LYS  34   8.756  -5.812   3.765
  257   2HE   LYS  34          1HE       LYS  34   8.400  -7.195   4.797
  258   1HZ   LYS  34          1HZ       LYS  34   8.299  -8.508   2.633
  259   2HZ   LYS  34          2HZ       LYS  34   9.827  -8.026   3.174
  260   3HZ   LYS  34          3HZ       LYS  34   9.072  -7.178   1.918
  261    H    ARG  35           H        ARG  35   3.233  -6.239  -0.968
  262    HA   ARG  35           HA       ARG  35   4.681  -4.007  -2.249
  263   1HB   ARG  35          2HB       ARG  35   3.589  -6.190  -3.942
  264   2HB   ARG  35          1HB       ARG  35   5.016  -5.199  -4.181
  265   1HG   ARG  35          2HG       ARG  35   6.228  -6.485  -2.521
  266   2HG   ARG  35          1HG       ARG  35   4.790  -7.450  -2.196
  267   1HD   ARG  35          2HD       ARG  35   6.189  -8.722  -3.634
  268   2HD   ARG  35          1HD       ARG  35   4.821  -8.161  -4.593
  269    HE   ARG  35           HE       ARG  35   6.674  -6.257  -5.068
  270   1HH1  ARG  35          2HH1      ARG  35   6.866  -9.755  -5.161
  271   2HH1  ARG  35          1HH1      ARG  35   8.042  -9.788  -6.436
  272   1HH2  ARG  35          2HH2      ARG  35   8.181  -6.277  -6.749
  273   2HH2  ARG  35          1HH2      ARG  35   8.771  -7.783  -7.391
  274    H    THR  36           H        THR  36   3.472  -2.407  -2.946
  275    HA   THR  36           HA       THR  36   0.567  -2.816  -3.326
  276    HB   THR  36           HB       THR  36   1.053  -0.103  -3.472
  277    HG1  THR  36           1HG      THR  36   2.535  -1.148  -1.257
  278   1HG2  THR  36          1HG2      THR  36   0.152  -1.879  -1.229
  279   2HG2  THR  36          2HG2      THR  36  -0.835  -0.948  -2.357
  280   3HG2  THR  36          3HG2      THR  36   0.114  -0.118  -1.119
  281    H    THR  37           H        THR  37   0.035  -3.107  -5.415
  282    HA   THR  37           HA       THR  37   1.425  -1.456  -7.412
  283    HB   THR  37           HB       THR  37   2.237  -3.767  -7.599
  284    HG1  THR  37           1HG      THR  37   2.043  -2.491  -9.494
  285   1HG2  THR  37          1HG2      THR  37  -0.424  -4.477  -7.095
  286   2HG2  THR  37          2HG2      THR  37   0.917  -5.561  -7.462
  287   3HG2  THR  37          3HG2      THR  37  -0.114  -4.962  -8.762
  288    H    TYR  38           H        TYR  38   0.184  -0.514  -8.956
  289    HA   TYR  38           HA       TYR  38  -2.694  -0.569  -8.510
  290   1HB   TYR  38          2HB       TYR  38  -0.847   1.248 -10.041
  291   2HB   TYR  38          1HB       TYR  38  -2.593   1.340 -10.248
  292    HD1  TYR  38           1HD      TYR  38  -3.850   2.671  -8.808
  293    HD2  TYR  38           2HD      TYR  38   0.048   1.455  -7.616
  294    HE1  TYR  38           1HE      TYR  38  -4.006   4.127  -6.835
  295    HE2  TYR  38           2HE      TYR  38  -0.096   2.911  -5.639
  296    HH   TYR  38           HH       TYR  38  -2.514   5.276  -5.263
  297    H    LEU  39           H        LEU  39  -0.729  -2.450 -10.207
  298    HA   LEU  39           HA       LEU  39  -2.651  -2.762 -12.420
  299   1HB   LEU  39          2HB       LEU  39   0.089  -2.245 -12.617
  300   2HB   LEU  39          1HB       LEU  39  -0.061  -3.961 -12.932
  301    HG   LEU  39           HG       LEU  39  -0.145  -2.281 -14.905
  302   1HD1  LEU  39          1HD1      LEU  39  -2.371  -3.942 -15.477
  303   2HD1  LEU  39          2HD1      LEU  39  -0.692  -4.120 -15.988
  304   3HD1  LEU  39          3HD1      LEU  39  -1.233  -4.845 -14.475
  305   1HD2  LEU  39          1HD2      LEU  39  -3.074  -2.271 -14.506
  306   2HD2  LEU  39          2HD2      LEU  39  -2.128  -1.108 -13.582
  307   3HD2  LEU  39          3HD2      LEU  39  -2.040  -1.114 -15.341
  308    H    ASP  40           H        ASP  40  -2.654  -5.047 -13.281
  309    HA   ASP  40           HA       ASP  40  -3.198  -6.803 -11.079
  310   1HB   ASP  40          2HB       ASP  40  -4.626  -6.866 -13.049
  311   2HB   ASP  40          1HB       ASP  40  -3.257  -7.291 -14.067
  312    HA   PRO  41           HA       PRO  41   1.017  -8.279 -11.112
  313   1HB   PRO  41          2HB       PRO  41   0.958  -9.447  -8.690
  314   2HB   PRO  41          1HB       PRO  41   1.040  -7.693  -8.889
  315   1HG   PRO  41          2HG       PRO  41  -1.270  -9.413  -8.153
  316   2HG   PRO  41          1HG       PRO  41  -0.877  -7.770  -7.623
  317   1HD   PRO  41          2HD       PRO  41  -2.738  -8.451  -9.586
  318   2HD   PRO  41          1HD       PRO  41  -2.039  -6.843  -9.335
  319    H    ARG  42           H        ARG  42  -1.733  -9.959 -11.676
  320    HA   ARG  42           HA       ARG  42  -0.376 -12.564 -11.584
  321   1HB   ARG  42          2HB       ARG  42  -3.092 -11.740 -11.185
  322   2HB   ARG  42          1HB       ARG  42  -3.022 -12.864 -12.532
  323   1HG   ARG  42          2HG       ARG  42  -1.732 -14.420 -11.073
  324   2HG   ARG  42          1HG       ARG  42  -2.047 -13.322  -9.728
  325   1HD   ARG  42          2HD       ARG  42  -3.894 -14.539  -9.402
  326   2HD   ARG  42          1HD       ARG  42  -4.540 -13.671 -10.792
  327    HE   ARG  42           HE       ARG  42  -3.075 -16.159 -11.271
  328   1HH1  ARG  42          2HH1      ARG  42  -6.134 -14.431 -11.179
  329   2HH1  ARG  42          1HH1      ARG  42  -6.990 -15.663 -12.066
  330   1HH2  ARG  42          2HH2      ARG  42  -4.217 -17.770 -12.448
  331   2HH2  ARG  42          1HH2      ARG  42  -5.915 -17.546 -12.763
  332    H    LEU  43           H        LEU  43  -0.802 -10.028 -13.649
  333    HA   LEU  43           HA       LEU  43  -1.358 -11.420 -16.073
  334   1HB   LEU  43          2HB       LEU  43  -0.383  -8.673 -15.398
  335   2HB   LEU  43          1HB       LEU  43  -0.345  -9.234 -17.057
  336    HG   LEU  43           HG       LEU  43  -2.840  -9.178 -15.370
  337   1HD1  LEU  43          1HD1      LEU  43  -2.153  -7.232 -17.552
  338   2HD1  LEU  43          2HD1      LEU  43  -3.431  -7.132 -16.340
  339   3HD1  LEU  43          3HD1      LEU  43  -1.743  -6.927 -15.861
  340   1HD2  LEU  43          1HD2      LEU  43  -3.693  -9.134 -17.890
  341   2HD2  LEU  43          2HD2      LEU  43  -2.171  -9.989 -18.134
  342   3HD2  LEU  43          3HD2      LEU  43  -3.376 -10.636 -17.023
  343    H    ALA  44           H        ALA  44   1.578  -9.509 -15.518
  344    HA   ALA  44           HA       ALA  44   3.027 -11.409 -17.187
  345   1HB   ALA  44          1HB       ALA  44   4.048  -9.607 -17.987
  346   2HB   ALA  44          2HB       ALA  44   3.032  -8.615 -16.945
  347   3HB   ALA  44          3HB       ALA  44   4.609  -9.158 -16.378
  348    H    PHE  45           H        PHE  45   2.386 -11.395 -14.098
  349    HA   PHE  45           HA       PHE  45   5.110 -12.141 -13.269
  350   1HB   PHE  45          2HB       PHE  45   2.951 -11.257 -11.355
  351   2HB   PHE  45          1HB       PHE  45   4.683 -11.372 -11.068
  352    HD1  PHE  45           1HD      PHE  45   6.172  -9.612 -11.735
  353    HD2  PHE  45           2HD      PHE  45   2.013  -9.392 -12.615
  354    HE1  PHE  45           1HE      PHE  45   6.419  -7.230 -12.294
  355    HE2  PHE  45           2HE      PHE  45   2.252  -7.010 -13.177
  356    HZ   PHE  45           HZ       PHE  45   4.459  -5.924 -13.018
  357    H    THR  46           H        THR  46   3.929 -14.085 -14.510
  358    HA   THR  46           HA       THR  46   2.025 -15.613 -13.095
  359    HB   THR  46           HB       THR  46   3.585 -17.313 -14.759
  360    HG1  THR  46           1HG      THR  46   3.205 -15.819 -16.697
  361   1HG2  THR  46          1HG2      THR  46   1.580 -17.470 -16.027
  362   2HG2  THR  46          2HG2      THR  46   1.015 -15.896 -15.463
  363   3HG2  THR  46          3HG2      THR  46   1.088 -17.262 -14.347
  364    H    VAL  47           H        VAL  47   5.438 -16.454 -13.727
  365    HA   VAL  47           HA       VAL  47   5.498 -18.397 -11.651
  366    HB   VAL  47           HB       VAL  47   8.142 -17.868 -12.081
  367   1HG1  VAL  47          1HG1      VAL  47   7.801 -19.638 -13.993
  368   2HG1  VAL  47          2HG1      VAL  47   7.511 -20.060 -12.307
  369   3HG1  VAL  47          3HG1      VAL  47   6.154 -19.674 -13.366
  370   1HG2  VAL  47          1HG2      VAL  47   8.590 -17.164 -14.241
  371   2HG2  VAL  47          2HG2      VAL  47   6.952 -17.489 -14.799
  372   3HG2  VAL  47          3HG2      VAL  47   7.270 -16.098 -13.766
  373    H    ASP  48           H        ASP  48   7.465 -15.460 -11.962
  374    HA   ASP  48           HA       ASP  48   6.735 -14.405  -9.429
  375   1HB   ASP  48          2HB       ASP  48   8.298 -16.298  -8.774
  376   2HB   ASP  48          1HB       ASP  48   9.573 -15.439  -9.631
  377    H    ASP  49           H        ASP  49   7.763 -12.357  -9.054
  378    HA   ASP  49           HA       ASP  49   8.554 -11.044 -11.501
  379   1HB   ASP  49          2HB       ASP  49   7.107  -9.824  -9.987
  380   2HB   ASP  49          1HB       ASP  49   8.248 -10.034  -8.661
  381    H    ASN  50           H        ASN  50  10.498 -12.175 -11.939
  382    HA   ASN  50           HA       ASN  50  12.765 -11.135 -10.411
  383   1HB   ASN  50          2HB       ASN  50  11.906 -13.610  -9.841
  384   2HB   ASN  50          1HB       ASN  50  12.939 -13.992 -11.213
  385   1HD2  ASN  50          1HD2      ASN  50  13.359 -14.853  -8.567
  386   2HD2  ASN  50          2HD2      ASN  50  14.846 -14.150  -8.011
  387    HA   PRO  51           HA       PRO  51  13.701 -11.433 -15.006
  388   1HB   PRO  51          2HB       PRO  51  12.955  -8.736 -15.585
  389   2HB   PRO  51          1HB       PRO  51  12.204 -10.215 -16.181
  390   1HG   PRO  51          2HG       PRO  51  10.996  -8.402 -14.471
  391   2HG   PRO  51          1HG       PRO  51  10.507 -10.095 -14.671
  392   1HD   PRO  51          2HD       PRO  51  12.194  -8.843 -12.537
  393   2HD   PRO  51          1HD       PRO  51  10.964 -10.120 -12.404
  394    H    THR  52           H        THR  52  14.044  -8.814 -12.685
  395    HA   THR  52           HA       THR  52  16.848  -8.522 -13.443
  396    HB   THR  52           HB       THR  52  16.013  -5.901 -12.906
  397    HG1  THR  52           1HG      THR  52  13.983  -5.912 -13.540
  398   1HG2  THR  52          1HG2      THR  52  17.093  -7.430 -15.185
  399   2HG2  THR  52          2HG2      THR  52  17.669  -5.935 -14.444
  400   3HG2  THR  52          3HG2      THR  52  16.325  -5.894 -15.587
  401    H    LYS  53           H        LYS  53  15.079  -6.240 -11.504
  402    HA   LYS  53           HA       LYS  53  15.812  -7.499  -9.003
  403   1HB   LYS  53          2HB       LYS  53  17.802  -6.105  -9.826
  404   2HB   LYS  53          1HB       LYS  53  16.782  -4.695  -9.557
  405   1HG   LYS  53          2HG       LYS  53  16.686  -6.285  -7.216
  406   2HG   LYS  53          1HG       LYS  53  18.378  -6.120  -7.694
  407   1HD   LYS  53          2HD       LYS  53  18.411  -3.889  -7.291
  408   2HD   LYS  53          1HD       LYS  53  16.744  -3.662  -7.817
  409   1HE   LYS  53          2HE       LYS  53  16.598  -5.230  -5.507
  410   2HE   LYS  53          1HE       LYS  53  17.793  -3.982  -5.156
  411   1HZ   LYS  53          1HZ       LYS  53  15.821  -2.993  -4.548
  412   2HZ   LYS  53          2HZ       LYS  53  14.935  -3.684  -5.819
  413   3HZ   LYS  53          3HZ       LYS  53  16.019  -2.412  -6.129
  414    HA   PRO  54           HA       PRO  54  11.787  -5.709  -8.355
  415   1HB   PRO  54          2HB       PRO  54  11.606  -6.376  -5.699
  416   2HB   PRO  54          1HB       PRO  54  11.265  -7.498  -7.022
  417   1HG   PRO  54          2HG       PRO  54  13.743  -7.194  -5.374
  418   2HG   PRO  54          1HG       PRO  54  12.943  -8.676  -5.929
  419   1HD   PRO  54          2HD       PRO  54  15.139  -7.705  -7.142
  420   2HD   PRO  54          1HD       PRO  54  13.853  -8.523  -8.052
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  10.989 -14.875 -18.860
    2   2H    GLY   1          2H        GLY   1   9.711 -15.336 -17.842
    3   3H    GLY   1          3H        GLY   1  11.311 -15.749 -17.445
    4   1HA   GLY   1          2HA       GLY   1  11.676 -13.181 -17.519
    5   2HA   GLY   1          1HA       GLY   1   9.945 -13.172 -17.206
    6    H    SER   2           H        SER   2  11.870 -12.160 -15.407
    7    HA   SER   2           HA       SER   2  12.488 -14.067 -13.389
    8   1HB   SER   2          2HB       SER   2  12.333 -11.180 -12.701
    9   2HB   SER   2          1HB       SER   2  13.609 -12.352 -12.376
   10    HG   SER   2           HG       SER   2  14.552 -11.309 -13.959
   11    H    ALA   3           H        ALA   3  10.447 -15.067 -13.024
   12    HA   ALA   3           HA       ALA   3   8.751 -13.508 -11.195
   13   1HB   ALA   3          1HB       ALA   3   6.812 -14.831 -12.009
   14   2HB   ALA   3          2HB       ALA   3   7.507 -13.780 -13.241
   15   3HB   ALA   3          3HB       ALA   3   7.848 -15.508 -13.262
   16    H    LYS   4           H        LYS   4   7.401 -15.035  -9.800
   17    HA   LYS   4           HA       LYS   4   8.715 -17.581  -9.261
   18   1HB   LYS   4          2HB       LYS   4   9.039 -15.236  -7.622
   19   2HB   LYS   4          1HB       LYS   4   8.178 -16.474  -6.719
   20   1HG   LYS   4          2HG       LYS   4   9.956 -18.027  -6.997
   21   2HG   LYS   4          1HG       LYS   4  10.763 -16.986  -8.171
   22   1HD   LYS   4          2HD       LYS   4  10.295 -16.276  -5.272
   23   2HD   LYS   4          1HD       LYS   4  11.802 -16.938  -5.911
   24   1HE   LYS   4          2HE       LYS   4  10.907 -14.660  -7.449
   25   2HE   LYS   4          1HE       LYS   4  11.078 -14.252  -5.743
   26   1HZ   LYS   4          1HZ       LYS   4  13.334 -15.578  -6.115
   27   2HZ   LYS   4          2HZ       LYS   4  13.201 -13.913  -6.389
   28   3HZ   LYS   4          3HZ       LYS   4  13.114 -14.993  -7.692
   29    H    ARG   5           H        ARG   5   7.380 -19.071  -8.191
   30    HA   ARG   5           HA       ARG   5   4.615 -18.740  -8.776
   31   1HB   ARG   5          2HB       ARG   5   6.028 -20.903  -8.770
   32   2HB   ARG   5          1HB       ARG   5   5.717 -20.929  -7.039
   33   1HG   ARG   5          2HG       ARG   5   3.693 -21.777  -7.354
   34   2HG   ARG   5          1HG       ARG   5   3.276 -20.491  -8.488
   35   1HD   ARG   5          2HD       ARG   5   3.121 -22.724  -9.501
   36   2HD   ARG   5          1HD       ARG   5   4.321 -21.707 -10.299
   37    HE   ARG   5           HE       ARG   5   6.036 -23.010  -9.332
   38   1HH1  ARG   5          2HH1      ARG   5   2.832 -24.230  -8.653
   39   2HH1  ARG   5          1HH1      ARG   5   3.378 -25.810  -8.179
   40   1HH2  ARG   5          2HH2      ARG   5   6.791 -25.082  -8.687
   41   2HH2  ARG   5          1HH2      ARG   5   5.635 -26.293  -8.207
   42    H    LYS   6           H        LYS   6   2.876 -18.581  -7.427
   43    HA   LYS   6           HA       LYS   6   3.267 -18.370  -4.553
   44   1HB   LYS   6          2HB       LYS   6   2.791 -16.094  -6.307
   45   2HB   LYS   6          1HB       LYS   6   1.513 -16.270  -5.114
   46   1HG   LYS   6          2HG       LYS   6   3.972 -16.614  -3.765
   47   2HG   LYS   6          1HG       LYS   6   4.118 -15.188  -4.793
   48   1HD   LYS   6          2HD       LYS   6   1.562 -15.095  -3.591
   49   2HD   LYS   6          1HD       LYS   6   2.724 -15.476  -2.318
   50   1HE   LYS   6          2HE       LYS   6   3.783 -13.434  -4.027
   51   2HE   LYS   6          1HE       LYS   6   2.176 -12.972  -3.470
   52   1HZ   LYS   6          1HZ       LYS   6   3.517 -13.994  -1.268
   53   2HZ   LYS   6          2HZ       LYS   6   3.103 -12.371  -1.572
   54   3HZ   LYS   6          3HZ       LYS   6   4.615 -12.966  -2.051
   55    H    ARG   7           H        ARG   7   1.004 -18.136  -3.485
   56    HA   ARG   7           HA       ARG   7  -0.700 -20.123  -4.672
   57   1HB   ARG   7          2HB       ARG   7  -0.290 -19.078  -2.076
   58   2HB   ARG   7          1HB       ARG   7  -1.969 -18.758  -2.485
   59   1HG   ARG   7          2HG       ARG   7  -0.563 -21.405  -2.341
   60   2HG   ARG   7          1HG       ARG   7  -1.953 -20.848  -1.408
   61   1HD   ARG   7          2HD       ARG   7  -3.382 -20.975  -3.296
   62   2HD   ARG   7          1HD       ARG   7  -2.025 -21.194  -4.399
   63    HE   ARG   7           HE       ARG   7  -2.817 -23.216  -2.392
   64   1HH1  ARG   7          2HH1      ARG   7  -1.763 -22.334  -5.617
   65   2HH1  ARG   7          1HH1      ARG   7  -1.701 -23.971  -6.198
   66   1HH2  ARG   7          2HH2      ARG   7  -2.750 -25.373  -3.148
   67   2HH2  ARG   7          1HH2      ARG   7  -2.263 -25.699  -4.783
   68    H    VAL   8           H        VAL   8  -1.543 -19.339  -6.537
   69    HA   VAL   8           HA       VAL   8  -2.810 -16.775  -6.709
   70    HB   VAL   8           HB       VAL   8  -3.652 -18.582  -8.801
   71   1HG1  VAL   8          1HG1      VAL   8  -3.073 -16.845 -10.170
   72   2HG1  VAL   8          2HG1      VAL   8  -3.284 -15.989  -8.642
   73   3HG1  VAL   8          3HG1      VAL   8  -1.664 -16.410  -9.201
   74   1HG2  VAL   8          1HG2      VAL   8  -0.994 -19.046  -7.807
   75   2HG2  VAL   8          2HG2      VAL   8  -1.861 -19.864  -9.110
   76   3HG2  VAL   8          3HG2      VAL   8  -0.934 -18.400  -9.448
   77    H    ALA   9           H        ALA   9  -5.100 -16.593  -7.496
   78    HA   ALA   9           HA       ALA   9  -6.918 -18.667  -6.618
   79   1HB   ALA   9          1HB       ALA   9  -7.982 -17.517  -4.906
   80   2HB   ALA   9          2HB       ALA   9  -6.278 -17.164  -4.614
   81   3HB   ALA   9          3HB       ALA   9  -7.305 -15.963  -5.395
   82    H    GLY  10           H        GLY  10  -9.243 -17.102  -6.554
   83   1HA   GLY  10          1HA       GLY  10  -9.759 -16.897  -9.339
   84   2HA   GLY  10          2HA       GLY  10 -10.861 -16.439  -8.047
   85    H    ASP  11           H        ASP  11 -10.149 -14.330  -6.894
   86    HA   ASP  11           HA       ASP  11 -10.017 -12.328  -8.964
   87   1HB   ASP  11          2HB       ASP  11 -11.162 -12.464  -6.420
   88   2HB   ASP  11          1HB       ASP  11  -9.865 -11.285  -6.259
   89    H    LEU  12           H        LEU  12  -8.369 -11.949  -5.860
   90    HA   LEU  12           HA       LEU  12  -5.829 -11.640  -7.317
   91   1HB   LEU  12          2HB       LEU  12  -6.833 -10.580  -4.716
   92   2HB   LEU  12          1HB       LEU  12  -5.135 -10.953  -4.836
   93    HG   LEU  12           HG       LEU  12  -4.838  -8.898  -5.593
   94   1HD1  LEU  12          1HD1      LEU  12  -4.500  -9.295  -7.755
   95   2HD1  LEU  12          2HD1      LEU  12  -5.957 -10.282  -7.908
   96   3HD1  LEU  12          3HD1      LEU  12  -6.072  -8.518  -7.987
   97   1HD2  LEU  12          1HD2      LEU  12  -6.472  -7.549  -5.052
   98   2HD2  LEU  12          2HD2      LEU  12  -7.291  -7.939  -6.565
   99   3HD2  LEU  12          3HD2      LEU  12  -7.624  -8.884  -5.113
  100    HA   PRO  13           HA       PRO  13  -4.130 -15.392  -5.543
  101   1HB   PRO  13          2HB       PRO  13  -1.753 -13.719  -4.930
  102   2HB   PRO  13          1HB       PRO  13  -1.859 -15.232  -5.838
  103   1HG   PRO  13          2HG       PRO  13  -1.473 -12.886  -7.071
  104   2HG   PRO  13          1HG       PRO  13  -2.455 -14.170  -7.798
  105   1HD   PRO  13          2HD       PRO  13  -3.323 -11.637  -6.463
  106   2HD   PRO  13          1HD       PRO  13  -4.040 -12.502  -7.842
  107    H    TYR  14           H        TYR  14  -3.112 -16.074  -3.449
  108    HA   TYR  14           HA       TYR  14  -4.761 -15.303  -1.348
  109   1HB   TYR  14          2HB       TYR  14  -3.978 -17.377  -0.929
  110   2HB   TYR  14          1HB       TYR  14  -2.443 -17.069  -1.727
  111    HD1  TYR  14           1HD      TYR  14  -4.298 -16.699   1.448
  112    HD2  TYR  14           2HD      TYR  14  -0.521 -16.478  -0.488
  113    HE1  TYR  14           1HE      TYR  14  -3.191 -16.576   3.636
  114    HE2  TYR  14           2HE      TYR  14   0.599 -16.357   1.691
  115    HH   TYR  14           HH       TYR  14  -1.116 -15.835   4.623
  116    H    GLY  15           H        GLY  15  -1.494 -14.199  -2.120
  117   1HA   GLY  15          1HA       GLY  15  -1.200 -12.759   0.351
  118   2HA   GLY  15          2HA       GLY  15  -0.123 -12.682  -1.041
  119    H    TRP  16           H        TRP  16  -2.594 -12.043  -2.717
  120    HA   TRP  16           HA       TRP  16  -2.198  -9.188  -2.476
  121   1HB   TRP  16          2HB       TRP  16  -3.467 -10.902  -4.596
  122   2HB   TRP  16          1HB       TRP  16  -3.390  -9.141  -4.683
  123    HD1  TRP  16           HD       TRP  16  -1.190 -12.236  -4.890
  124    HE1  TRP  16           1HE      TRP  16   1.109 -11.607  -5.822
  125    HE3  TRP  16           3HE      TRP  16  -1.813  -7.197  -4.892
  126    HZ2  TRP  16           2HZ      TRP  16   2.480  -9.169  -6.486
  127    HZ3  TRP  16           3HZ      TRP  16   0.032  -5.768  -5.670
  128    HH2  TRP  16           HH       TRP  16   2.133  -6.737  -6.457
  129    H    GLU  17           H        GLU  17  -3.688  -7.663  -2.205
  130    HA   GLU  17           HA       GLU  17  -6.463  -8.474  -1.677
  131   1HB   GLU  17          2HB       GLU  17  -4.574  -6.930   0.007
  132   2HB   GLU  17          1HB       GLU  17  -6.220  -6.319  -0.080
  133   1HG   GLU  17          2HG       GLU  17  -5.929  -9.206   0.434
  134   2HG   GLU  17          1HG       GLU  17  -5.404  -8.119   1.722
  135    H    GLN  18           H        GLN  18  -8.029  -7.017  -2.356
  136    HA   GLN  18           HA       GLN  18  -7.085  -4.969  -4.227
  137   1HB   GLN  18          2HB       GLN  18  -8.705  -6.612  -5.063
  138   2HB   GLN  18          1HB       GLN  18  -9.844  -6.135  -3.810
  139   1HG   GLN  18          2HG       GLN  18  -9.980  -3.904  -4.779
  140   2HG   GLN  18          1HG       GLN  18  -8.827  -4.371  -6.026
  141   1HE2  GLN  18          1HE2      GLN  18 -10.376  -3.866  -7.631
  142   2HE2  GLN  18          2HE2      GLN  18 -11.699  -4.924  -7.961
  143    H    GLU  19           H        GLU  19  -6.708  -3.099  -3.234
  144    HA   GLU  19           HA       GLU  19  -8.694  -2.110  -1.289
  145   1HB   GLU  19          2HB       GLU  19  -5.931  -0.986  -1.453
  146   2HB   GLU  19          1HB       GLU  19  -7.007  -1.074  -0.076
  147   1HG   GLU  19          2HG       GLU  19  -6.462  -3.726  -0.729
  148   2HG   GLU  19          1HG       GLU  19  -4.932  -2.871  -0.917
  149    H    THR  20           H        THR  20  -8.868   0.301  -1.250
  150    HA   THR  20           HA       THR  20  -8.533   1.409  -3.958
  151    HB   THR  20           HB       THR  20 -10.532   2.685  -2.201
  152    HG1  THR  20           1HG      THR  20 -11.444   0.804  -1.754
  153   1HG2  THR  20          1HG2      THR  20  -9.876   2.456  -4.974
  154   2HG2  THR  20          2HG2      THR  20 -11.012   3.557  -4.192
  155   3HG2  THR  20          3HG2      THR  20 -11.551   1.964  -4.725
  156    H    ASP  21           H        ASP  21  -7.773   3.505  -4.155
  157    HA   ASP  21           HA       ASP  21  -6.231   4.447  -1.922
  158   1HB   ASP  21          2HB       ASP  21  -4.978   5.527  -3.467
  159   2HB   ASP  21          1HB       ASP  21  -5.840   4.523  -4.618
  160    H    GLU  22           H        GLU  22  -6.261   7.067  -1.966
  161    HA   GLU  22           HA       GLU  22  -8.562   7.668  -0.428
  162   1HB   GLU  22          2HB       GLU  22  -7.497  10.116  -0.822
  163   2HB   GLU  22          1HB       GLU  22  -6.896   8.969   0.369
  164   1HG   GLU  22          2HG       GLU  22  -4.927   8.900  -0.623
  165   2HG   GLU  22          1HG       GLU  22  -5.667   8.447  -2.156
  166    H    ASN  23           H        ASN  23  -7.773   8.162  -3.780
  167    HA   ASN  23           HA       ASN  23  -9.894  10.106  -4.180
  168   1HB   ASN  23          2HB       ASN  23  -7.756   8.900  -5.880
  169   2HB   ASN  23          1HB       ASN  23  -9.182   9.544  -6.683
  170   1HD2  ASN  23          1HD2      ASN  23  -6.695  10.373  -4.340
  171   2HD2  ASN  23          2HD2      ASN  23  -6.617  12.049  -4.752
  172    H    GLY  24           H        GLY  24  -9.185   6.755  -5.065
  173   1HA   GLY  24          1HA       GLY  24 -11.361   5.379  -4.821
  174   2HA   GLY  24          2HA       GLY  24 -11.941   6.466  -6.074
  175    H    GLN  25           H        GLN  25  -8.653   5.837  -6.367
  176    HA   GLN  25           HA       GLN  25  -9.063   4.120  -8.636
  177   1HB   GLN  25          2HB       GLN  25  -7.163   6.034  -7.935
  178   2HB   GLN  25          1HB       GLN  25  -6.301   4.505  -7.819
  179   1HG   GLN  25          2HG       GLN  25  -7.582   4.204 -10.186
  180   2HG   GLN  25          1HG       GLN  25  -7.294   5.944 -10.171
  181   1HE2  GLN  25          1HE2      GLN  25  -5.083   6.649  -9.768
  182   2HE2  GLN  25          2HE2      GLN  25  -3.769   5.666 -10.341
  183    H    VAL  26           H        VAL  26  -8.676   1.948  -8.676
  184    HA   VAL  26           HA       VAL  26  -8.242   0.708  -6.090
  185    HB   VAL  26           HB       VAL  26  -9.966  -0.051  -7.874
  186   1HG1  VAL  26          1HG1      VAL  26  -8.057  -2.061  -8.786
  187   2HG1  VAL  26          2HG1      VAL  26  -9.311  -1.199  -9.679
  188   3HG1  VAL  26          3HG1      VAL  26  -7.743  -0.439  -9.406
  189   1HG2  VAL  26          1HG2      VAL  26  -9.048  -1.155  -5.652
  190   2HG2  VAL  26          2HG2      VAL  26 -10.189  -1.989  -6.709
  191   3HG2  VAL  26          3HG2      VAL  26  -8.468  -2.366  -6.798
  192    H    PHE  27           H        PHE  27  -6.735  -0.904  -5.720
  193    HA   PHE  27           HA       PHE  27  -4.554  -1.330  -7.555
  194   1HB   PHE  27          2HB       PHE  27  -2.799  -0.541  -6.014
  195   2HB   PHE  27          1HB       PHE  27  -3.859   0.779  -6.489
  196    HD1  PHE  27           1HD      PHE  27  -2.791  -1.382  -3.738
  197    HD2  PHE  27           2HD      PHE  27  -5.338   1.823  -4.887
  198    HE1  PHE  27           1HE      PHE  27  -3.190  -0.868  -1.381
  199    HE2  PHE  27           2HE      PHE  27  -5.743   2.351  -2.524
  200    HZ   PHE  27           HZ       PHE  27  -4.687   0.996  -0.770
  201    H    PHE  28           H        PHE  28  -3.005  -2.892  -6.643
  202    HA   PHE  28           HA       PHE  28  -4.364  -4.668  -4.728
  203   1HB   PHE  28          2HB       PHE  28  -2.504  -5.626  -6.891
  204   2HB   PHE  28          1HB       PHE  28  -3.688  -6.550  -5.974
  205    HD1  PHE  28           1HD      PHE  28  -6.177  -5.859  -6.314
  206    HD2  PHE  28           2HD      PHE  28  -3.039  -4.884  -9.012
  207    HE1  PHE  28           1HE      PHE  28  -7.816  -5.579  -8.108
  208    HE2  PHE  28           2HE      PHE  28  -4.671  -4.588 -10.814
  209    HZ   PHE  28           HZ       PHE  28  -7.069  -4.933 -10.368
  210    H    VAL  29           H        VAL  29  -3.156  -5.505  -3.090
  211    HA   VAL  29           HA       VAL  29  -0.309  -4.794  -3.092
  212    HB   VAL  29           HB       VAL  29  -0.859  -3.156  -1.651
  213   1HG1  VAL  29          1HG1      VAL  29  -2.923  -2.742  -0.922
  214   2HG1  VAL  29          2HG1      VAL  29  -3.376  -4.149  -1.885
  215   3HG1  VAL  29          3HG1      VAL  29  -3.078  -4.324  -0.157
  216   1HG2  VAL  29          1HG2      VAL  29   0.447  -4.647  -0.258
  217   2HG2  VAL  29          2HG2      VAL  29  -0.775  -3.828   0.720
  218   3HG2  VAL  29          3HG2      VAL  29  -1.016  -5.509   0.231
  219    H    ASP  30           H        ASP  30   0.941  -6.419  -2.737
  220    HA   ASP  30           HA       ASP  30   0.010  -8.946  -1.728
  221   1HB   ASP  30          2HB       ASP  30   1.857  -8.611  -3.446
  222   2HB   ASP  30          1HB       ASP  30   2.867  -8.022  -2.131
  223    H    HIS  31           H        HIS  31  -0.589  -8.892   0.386
  224    HA   HIS  31           HA       HIS  31   0.646  -7.045   2.210
  225   1HB   HIS  31          2HB       HIS  31  -1.629  -8.972   2.354
  226   2HB   HIS  31          1HB       HIS  31  -0.905  -8.419   3.862
  227    HD1  HIS  31           1HD      HIS  31  -0.871  -5.731   4.187
  228    HD2  HIS  31           2HD      HIS  31  -3.419  -7.228   1.261
  229    HE1  HIS  31           1HE      HIS  31  -2.436  -3.845   3.616
  230    HE2  HIS  31           2HE      HIS  31  -4.117  -4.850   2.027
  231    H    ILE  32           H        ILE  32   1.468 -10.101   1.162
  232    HA   ILE  32           HA       ILE  32   2.525 -11.274   3.492
  233    HB   ILE  32           HB       ILE  32   3.446 -11.504   0.620
  234   1HG1  ILE  32          1HG1      ILE  32   1.144 -12.199   0.897
  235   2HG1  ILE  32          2HG1      ILE  32   2.174 -13.629   0.648
  236   1HG2  ILE  32          1HG2      ILE  32   4.346 -12.863   3.105
  237   2HG2  ILE  32          2HG2      ILE  32   4.244 -13.816   1.622
  238   3HG2  ILE  32          3HG2      ILE  32   5.265 -12.378   1.681
  239   1HD1  ILE  32          1HD1      ILE  32   2.138 -14.029   3.086
  240   2HD1  ILE  32          2HD1      ILE  32   1.037 -12.664   3.278
  241   3HD1  ILE  32          3HD1      ILE  32   0.529 -14.084   2.362
  242    H    ASN  33           H        ASN  33   4.014  -9.192   1.030
  243    HA   ASN  33           HA       ASN  33   6.227  -8.660   2.904
  244   1HB   ASN  33          2HB       ASN  33   7.240  -7.828   0.543
  245   2HB   ASN  33          1HB       ASN  33   7.422  -9.472   1.145
  246   1HD2  ASN  33          1HD2      ASN  33   7.320 -10.726  -0.583
  247   2HD2  ASN  33          2HD2      ASN  33   6.065 -10.688  -1.771
  248    H    LYS  34           H        LYS  34   3.453  -7.394   1.841
  249    HA   LYS  34           HA       LYS  34   2.484  -5.366   1.942
  250   1HB   LYS  34          2HB       LYS  34   4.686  -5.240   3.830
  251   2HB   LYS  34          1HB       LYS  34   4.275  -3.654   3.187
  252   1HG   LYS  34          2HG       LYS  34   2.650  -3.570   4.684
  253   2HG   LYS  34          1HG       LYS  34   1.824  -4.820   3.757
  254   1HD   LYS  34          2HD       LYS  34   3.228  -4.991   6.341
  255   2HD   LYS  34          1HD       LYS  34   1.865  -5.913   5.725
  256   1HE   LYS  34          2HE       LYS  34   3.291  -7.619   5.557
  257   2HE   LYS  34          1HE       LYS  34   3.939  -6.777   4.149
  258   1HZ   LYS  34          1HZ       LYS  34   5.520  -7.504   6.032
  259   2HZ   LYS  34          2HZ       LYS  34   4.939  -6.132   6.844
  260   3HZ   LYS  34          3HZ       LYS  34   5.713  -5.962   5.346
  261    H    ARG  35           H        ARG  35   3.211  -5.609  -0.495
  262    HA   ARG  35           HA       ARG  35   4.423  -3.000  -1.145
  263   1HB   ARG  35          2HB       ARG  35   4.705  -4.322  -3.486
  264   2HB   ARG  35          1HB       ARG  35   5.963  -4.207  -2.267
  265   1HG   ARG  35          2HG       ARG  35   5.653  -6.370  -1.550
  266   2HG   ARG  35          1HG       ARG  35   4.005  -6.452  -2.170
  267   1HD   ARG  35          2HD       ARG  35   5.102  -6.212  -4.487
  268   2HD   ARG  35          1HD       ARG  35   6.596  -6.648  -3.659
  269    HE   ARG  35           HE       ARG  35   4.535  -8.492  -3.031
  270   1HH1  ARG  35          2HH1      ARG  35   6.759  -7.619  -5.595
  271   2HH1  ARG  35          1HH1      ARG  35   6.783  -9.212  -6.292
  272   1HH2  ARG  35          2HH2      ARG  35   4.555 -10.573  -3.933
  273   2HH2  ARG  35          1HH2      ARG  35   5.544 -10.896  -5.332
  274    H    THR  36           H        THR  36   3.128  -1.630  -2.103
  275    HA   THR  36           HA       THR  36   0.505  -2.542  -3.027
  276    HB   THR  36           HB       THR  36   0.486   0.200  -3.188
  277    HG1  THR  36           1HG      THR  36   1.445   0.470  -0.828
  278   1HG2  THR  36          1HG2      THR  36  -0.349  -1.787  -1.135
  279   2HG2  THR  36          2HG2      THR  36  -1.327  -0.709  -2.132
  280   3HG2  THR  36          3HG2      THR  36  -0.459  -0.074  -0.734
  281    H    THR  37           H        THR  37   0.187  -2.816  -5.162
  282    HA   THR  37           HA       THR  37   1.607  -1.003  -6.987
  283    HB   THR  37           HB       THR  37   2.562  -3.310  -7.085
  284    HG1  THR  37           1HG      THR  37   2.247  -3.451  -9.461
  285   1HG2  THR  37          1HG2      THR  37   1.359  -5.169  -7.496
  286   2HG2  THR  37          2HG2      THR  37   0.295  -4.347  -8.640
  287   3HG2  THR  37          3HG2      THR  37   0.003  -4.205  -6.907
  288    H    TYR  38           H        TYR  38   0.409  -0.086  -8.577
  289    HA   TYR  38           HA       TYR  38  -2.469  -0.410  -8.417
  290   1HB   TYR  38          2HB       TYR  38  -0.658   1.468  -9.929
  291   2HB   TYR  38          1HB       TYR  38  -2.395   1.420 -10.214
  292    HD1  TYR  38           1HD      TYR  38  -3.780   2.786  -8.944
  293    HD2  TYR  38           2HD      TYR  38   0.075   1.795  -7.438
  294    HE1  TYR  38           1HE      TYR  38  -4.124   4.321  -7.054
  295    HE2  TYR  38           2HE      TYR  38  -0.263   3.323  -5.549
  296    HH   TYR  38           HH       TYR  38  -2.470   5.684  -5.474
  297    H    LEU  39           H        LEU  39   0.067  -1.768 -10.120
  298    HA   LEU  39           HA       LEU  39  -1.382  -2.274 -12.565
  299   1HB   LEU  39          2HB       LEU  39   1.314  -2.261 -11.841
  300   2HB   LEU  39          1HB       LEU  39   0.942  -3.943 -12.167
  301    HG   LEU  39           HG       LEU  39   1.785  -2.924 -14.174
  302   1HD1  LEU  39          1HD1      LEU  39  -0.221  -4.520 -14.233
  303   2HD1  LEU  39          2HD1      LEU  39  -1.157  -3.088 -14.661
  304   3HD1  LEU  39          3HD1      LEU  39   0.175  -3.612 -15.692
  305   1HD2  LEU  39          1HD2      LEU  39   0.823  -0.599 -13.321
  306   2HD2  LEU  39          2HD2      LEU  39   1.175  -0.907 -15.023
  307   3HD2  LEU  39          3HD2      LEU  39  -0.480  -1.040 -14.425
  308    H    ASP  40           H        ASP  40  -1.992  -4.325 -13.284
  309    HA   ASP  40           HA       ASP  40  -3.238  -5.876 -11.247
  310   1HB   ASP  40          2HB       ASP  40  -3.223  -5.749 -14.229
  311   2HB   ASP  40          1HB       ASP  40  -3.859  -7.157 -13.428
  312    HA   PRO  41           HA       PRO  41   0.175  -8.817 -11.310
  313   1HB   PRO  41          2HB       PRO  41  -0.866 -10.063  -8.977
  314   2HB   PRO  41          1HB       PRO  41   0.433  -8.876  -9.064
  315   1HG   PRO  41          2HG       PRO  41  -2.039  -8.452  -7.884
  316   2HG   PRO  41          1HG       PRO  41  -0.925  -7.181  -8.414
  317   1HD   PRO  41          2HD       PRO  41  -3.338  -8.280  -9.794
  318   2HD   PRO  41          1HD       PRO  41  -2.752  -6.606  -9.705
  319    H    ARG  42           H        ARG  42  -2.149  -9.307 -12.934
  320    HA   ARG  42           HA       ARG  42  -2.614 -12.177 -12.434
  321   1HB   ARG  42          2HB       ARG  42  -4.381 -10.007 -13.232
  322   2HB   ARG  42          1HB       ARG  42  -4.439 -11.341 -14.376
  323   1HG   ARG  42          2HG       ARG  42  -6.094 -11.922 -12.899
  324   2HG   ARG  42          1HG       ARG  42  -4.713 -12.800 -12.238
  325   1HD   ARG  42          2HD       ARG  42  -5.170 -11.799 -10.293
  326   2HD   ARG  42          1HD       ARG  42  -4.547 -10.322 -11.026
  327    HE   ARG  42           HE       ARG  42  -7.323 -11.003 -10.524
  328   1HH1  ARG  42          2HH1      ARG  42  -5.055  -8.863 -12.104
  329   2HH1  ARG  42          1HH1      ARG  42  -6.213  -7.597 -12.379
  330   1HH2  ARG  42          2HH2      ARG  42  -8.879  -9.340 -10.891
  331   2HH2  ARG  42          1HH2      ARG  42  -8.395  -7.880 -11.710
  332    H    LEU  43           H        LEU  43  -0.257 -11.199 -13.620
  333    HA   LEU  43           HA       LEU  43  -0.593 -11.933 -16.442
  334   1HB   LEU  43          2HB       LEU  43   1.731 -10.399 -15.302
  335   2HB   LEU  43          1HB       LEU  43   1.251 -10.547 -16.986
  336    HG   LEU  43           HG       LEU  43  -0.682  -9.280 -15.112
  337   1HD1  LEU  43          1HD1      LEU  43   0.385  -7.258 -14.934
  338   2HD1  LEU  43          2HD1      LEU  43   1.740  -8.377 -14.754
  339   3HD1  LEU  43          3HD1      LEU  43   1.457  -7.576 -16.300
  340   1HD2  LEU  43          1HD2      LEU  43  -1.544  -9.359 -17.223
  341   2HD2  LEU  43          2HD2      LEU  43  -0.758  -7.777 -17.257
  342   3HD2  LEU  43          3HD2      LEU  43   0.031  -9.172 -17.996
  343    H    ALA  44           H        ALA  44   2.351 -11.820 -14.458
  344    HA   ALA  44           HA       ALA  44   3.127 -14.392 -15.519
  345   1HB   ALA  44          1HB       ALA  44   5.223 -13.873 -14.083
  346   2HB   ALA  44          2HB       ALA  44   4.914 -12.921 -15.536
  347   3HB   ALA  44          3HB       ALA  44   4.514 -12.263 -13.952
  348    H    PHE  45           H        PHE  45   1.181 -13.605 -13.113
  349    HA   PHE  45           HA       PHE  45   2.251 -15.409 -11.094
  350   1HB   PHE  45          2HB       PHE  45  -0.146 -13.575 -11.147
  351   2HB   PHE  45          1HB       PHE  45   0.131 -14.727  -9.846
  352    HD1  PHE  45           1HD      PHE  45   1.625 -14.242  -8.098
  353    HD2  PHE  45           2HD      PHE  45   1.572 -11.793 -11.580
  354    HE1  PHE  45           1HE      PHE  45   3.084 -12.611  -6.973
  355    HE2  PHE  45           2HE      PHE  45   3.029 -10.162 -10.460
  356    HZ   PHE  45           HZ       PHE  45   3.786 -10.569  -8.152
  357    H    THR  46           H        THR  46   2.111 -17.269 -12.468
  358    HA   THR  46           HA       THR  46  -0.551 -18.491 -12.416
  359    HB   THR  46           HB       THR  46   0.605 -19.485 -14.756
  360    HG1  THR  46           1HG      THR  46   1.287 -16.815 -14.307
  361   1HG2  THR  46          1HG2      THR  46  -1.429 -18.981 -15.579
  362   2HG2  THR  46          2HG2      THR  46  -1.258 -17.268 -15.188
  363   3HG2  THR  46          3HG2      THR  46  -1.801 -18.405 -13.952
  364    H    VAL  47           H        VAL  47   0.083 -20.958 -13.509
  365    HA   VAL  47           HA       VAL  47   1.764 -21.994 -11.384
  366    HB   VAL  47           HB       VAL  47   0.417 -23.649 -13.520
  367   1HG1  VAL  47          1HG1      VAL  47   0.837 -24.486 -10.687
  368   2HG1  VAL  47          2HG1      VAL  47   0.767 -25.465 -12.152
  369   3HG1  VAL  47          3HG1      VAL  47   2.205 -24.507 -11.798
  370   1HG2  VAL  47          1HG2      VAL  47  -0.963 -21.949 -11.896
  371   2HG2  VAL  47          2HG2      VAL  47  -1.606 -23.455 -12.551
  372   3HG2  VAL  47          3HG2      VAL  47  -0.930 -23.420 -10.923
  373    H    ASP  48           H        ASP  48   3.508 -20.665 -12.627
  374    HA   ASP  48           HA       ASP  48   5.019 -22.596 -14.266
  375   1HB   ASP  48          2HB       ASP  48   4.698 -20.318 -15.279
  376   2HB   ASP  48          1HB       ASP  48   5.561 -19.630 -13.908
  377    H    ASP  49           H        ASP  49   6.765 -23.525 -13.338
  378    HA   ASP  49           HA       ASP  49   6.945 -23.491 -10.550
  379   1HB   ASP  49          2HB       ASP  49   7.822 -25.182 -12.472
  380   2HB   ASP  49          1HB       ASP  49   9.344 -24.440 -11.984
  381    H    ASN  50           H        ASN  50   9.772 -22.830 -12.559
  382    HA   ASN  50           HA       ASN  50  11.708 -21.735 -11.988
  383   1HB   ASN  50          2HB       ASN  50   9.952 -20.037 -12.978
  384   2HB   ASN  50          1HB       ASN  50  10.033 -19.340 -11.362
  385   1HD2  ASN  50          1HD2      ASN  50  11.169 -17.529 -11.634
  386   2HD2  ASN  50          2HD2      ASN  50  12.745 -17.451 -12.347
  387    HA   PRO  51           HA       PRO  51  10.973 -21.931  -7.399
  388   1HB   PRO  51          2HB       PRO  51  12.467 -24.070  -6.808
  389   2HB   PRO  51          1HB       PRO  51  10.836 -24.236  -7.471
  390   1HG   PRO  51          2HG       PRO  51  13.477 -24.490  -8.848
  391   2HG   PRO  51          1HG       PRO  51  12.013 -25.467  -9.044
  392   1HD   PRO  51          2HD       PRO  51  12.773 -23.424 -10.737
  393   2HD   PRO  51          1HD       PRO  51  11.110 -24.012 -10.551
  394    H    THR  52           H        THR  52  12.655 -20.067  -8.540
  395    HA   THR  52           HA       THR  52  15.351 -20.386  -7.622
  396    HB   THR  52           HB       THR  52  14.806 -17.639  -7.941
  397    HG1  THR  52           1HG      THR  52  13.442 -17.494  -9.605
  398   1HG2  THR  52          1HG2      THR  52  16.841 -18.796  -8.659
  399   2HG2  THR  52          2HG2      THR  52  16.128 -17.891  -9.996
  400   3HG2  THR  52          3HG2      THR  52  15.927 -19.643  -9.907
  401    H    LYS  53           H        LYS  53  16.340 -18.911  -6.028
  402    HA   LYS  53           HA       LYS  53  14.952 -18.869  -3.565
  403   1HB   LYS  53          2HB       LYS  53  17.404 -17.252  -4.283
  404   2HB   LYS  53          1HB       LYS  53  16.892 -17.750  -2.678
  405   1HG   LYS  53          2HG       LYS  53  17.366 -19.913  -4.631
  406   2HG   LYS  53          1HG       LYS  53  18.783 -19.017  -4.086
  407   1HD   LYS  53          2HD       LYS  53  18.360 -19.565  -1.815
  408   2HD   LYS  53          1HD       LYS  53  16.756 -20.190  -2.195
  409   1HE   LYS  53          2HE       LYS  53  17.564 -22.161  -3.012
  410   2HE   LYS  53          1HE       LYS  53  19.079 -21.439  -3.557
  411   1HZ   LYS  53          1HZ       LYS  53  19.810 -21.337  -1.248
  412   2HZ   LYS  53          2HZ       LYS  53  19.438 -22.931  -1.695
  413   3HZ   LYS  53          3HZ       LYS  53  18.354 -22.048  -0.736
  414    HA   PRO  54           HA       PRO  54  12.507 -15.213  -3.644
  415   1HB   PRO  54          2HB       PRO  54  13.812 -14.449  -1.077
  416   2HB   PRO  54          1HB       PRO  54  12.094 -14.603  -1.465
  417   1HG   PRO  54          2HG       PRO  54  13.325 -16.467  -0.019
  418   2HG   PRO  54          1HG       PRO  54  12.114 -16.913  -1.234
  419   1HD   PRO  54          2HD       PRO  54  15.094 -17.108  -1.367
  420   2HD   PRO  54          1HD       PRO  54  13.861 -18.206  -2.020
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -21.016  -5.532 -14.796
    2   2H    GLY   1          2H        GLY   1 -20.910  -4.962 -13.208
    3   3H    GLY   1          3H        GLY   1 -21.951  -4.208 -14.316
    4   1HA   GLY   1          2HA       GLY   1 -23.488  -5.898 -14.276
    5   2HA   GLY   1          1HA       GLY   1 -22.301  -7.059 -13.705
    6    H    SER   2           H        SER   2 -24.509  -7.205 -12.360
    7    HA   SER   2           HA       SER   2 -24.675  -5.357 -10.168
    8   1HB   SER   2          2HB       SER   2 -25.922  -8.066 -10.028
    9   2HB   SER   2          1HB       SER   2 -26.577  -6.498  -9.553
   10    HG   SER   2           HG       SER   2 -26.965  -7.823 -11.827
   11    H    ALA   3           H        ALA   3 -22.496  -5.463  -9.407
   12    HA   ALA   3           HA       ALA   3 -22.155  -7.633  -7.474
   13   1HB   ALA   3          1HB       ALA   3 -20.173  -8.367  -8.243
   14   2HB   ALA   3          2HB       ALA   3 -20.730  -7.691  -9.773
   15   3HB   ALA   3          3HB       ALA   3 -19.651  -6.756  -8.738
   16    H    LYS   4           H        LYS   4 -22.120  -6.676  -5.572
   17    HA   LYS   4           HA       LYS   4 -21.684  -3.937  -5.151
   18   1HB   LYS   4          2HB       LYS   4 -21.292  -4.775  -2.696
   19   2HB   LYS   4          1HB       LYS   4 -22.883  -4.884  -3.430
   20   1HG   LYS   4          2HG       LYS   4 -21.780  -7.287  -4.121
   21   2HG   LYS   4          1HG       LYS   4 -21.074  -6.994  -2.531
   22   1HD   LYS   4          2HD       LYS   4 -23.236  -6.771  -1.537
   23   2HD   LYS   4          1HD       LYS   4 -24.023  -6.792  -3.117
   24   1HE   LYS   4          2HE       LYS   4 -22.980  -9.114  -3.392
   25   2HE   LYS   4          1HE       LYS   4 -22.679  -9.047  -1.655
   26   1HZ   LYS   4          1HZ       LYS   4 -25.377  -8.464  -2.663
   27   2HZ   LYS   4          2HZ       LYS   4 -24.905  -9.126  -1.174
   28   3HZ   LYS   4          3HZ       LYS   4 -24.868 -10.078  -2.580
   29    H    ARG   5           H        ARG   5 -19.526  -6.698  -4.888
   30    HA   ARG   5           HA       ARG   5 -17.272  -6.906  -4.733
   31   1HB   ARG   5          2HB       ARG   5 -17.699  -4.470  -6.375
   32   2HB   ARG   5          1HB       ARG   5 -16.067  -4.776  -5.803
   33   1HG   ARG   5          2HG       ARG   5 -15.838  -6.692  -7.056
   34   2HG   ARG   5          1HG       ARG   5 -17.580  -6.962  -7.149
   35   1HD   ARG   5          2HD       ARG   5 -17.868  -5.373  -8.817
   36   2HD   ARG   5          1HD       ARG   5 -16.358  -4.550  -8.430
   37    HE   ARG   5           HE       ARG   5 -15.201  -6.503  -9.422
   38   1HH1  ARG   5          2HH1      ARG   5 -18.528  -5.846 -10.295
   39   2HH1  ARG   5          1HH1      ARG   5 -18.455  -6.736 -11.781
   40   1HH2  ARG   5          2HH2      ARG   5 -15.072  -7.642 -11.370
   41   2HH2  ARG   5          1HH2      ARG   5 -16.462  -7.749 -12.416
   42    H    LYS   6           H        LYS   6 -18.386  -6.036  -2.370
   43    HA   LYS   6           HA       LYS   6 -16.855  -3.813  -1.346
   44   1HB   LYS   6          2HB       LYS   6 -18.338  -5.766   0.393
   45   2HB   LYS   6          1HB       LYS   6 -18.061  -4.050   0.649
   46   1HG   LYS   6          2HG       LYS   6 -19.596  -4.535  -1.752
   47   2HG   LYS   6          1HG       LYS   6 -20.366  -5.231  -0.326
   48   1HD   LYS   6          2HD       LYS   6 -20.195  -3.059   0.809
   49   2HD   LYS   6          1HD       LYS   6 -19.449  -2.373  -0.637
   50   1HE   LYS   6          2HE       LYS   6 -21.558  -3.171  -1.858
   51   2HE   LYS   6          1HE       LYS   6 -22.259  -3.355  -0.254
   52   1HZ   LYS   6          1HZ       LYS   6 -21.831  -1.016   0.165
   53   2HZ   LYS   6          2HZ       LYS   6 -22.792  -1.208  -1.222
   54   3HZ   LYS   6          3HZ       LYS   6 -21.145  -0.839  -1.376
   55    H    ARG   7           H        ARG   7 -14.792  -4.675  -1.924
   56    HA   ARG   7           HA       ARG   7 -12.754  -5.516  -1.380
   57   1HB   ARG   7          2HB       ARG   7 -14.164  -6.494   1.103
   58   2HB   ARG   7          1HB       ARG   7 -12.449  -6.743   0.803
   59   1HG   ARG   7          2HG       ARG   7 -13.478  -3.972   0.619
   60   2HG   ARG   7          1HG       ARG   7 -13.369  -4.702   2.222
   61   1HD   ARG   7          2HD       ARG   7 -11.051  -4.998   2.050
   62   2HD   ARG   7          1HD       ARG   7 -11.066  -4.774   0.300
   63    HE   ARG   7           HE       ARG   7 -11.993  -2.410   1.412
   64   1HH1  ARG   7          2HH1      ARG   7  -9.050  -4.318   1.496
   65   2HH1  ARG   7          1HH1      ARG   7  -8.015  -2.927   1.705
   66   1HH2  ARG   7          2HH2      ARG   7 -10.631  -0.599   1.708
   67   2HH2  ARG   7          1HH2      ARG   7  -8.911  -0.827   1.819
   68    H    VAL   8           H        VAL   8 -15.377  -7.779  -0.677
   69    HA   VAL   8           HA       VAL   8 -13.902 -10.084  -1.513
   70    HB   VAL   8           HB       VAL   8 -16.895  -9.838  -1.179
   71   1HG1  VAL   8          1HG1      VAL   8 -15.205 -11.964  -1.986
   72   2HG1  VAL   8          2HG1      VAL   8 -15.825 -12.350  -0.381
   73   3HG1  VAL   8          3HG1      VAL   8 -16.945 -11.993  -1.699
   74   1HG2  VAL   8          1HG2      VAL   8 -16.626 -10.499   1.118
   75   2HG2  VAL   8          2HG2      VAL   8 -14.879 -10.626   0.920
   76   3HG2  VAL   8          3HG2      VAL   8 -15.660  -9.051   0.832
   77    H    ALA   9           H        ALA   9 -13.509 -10.621  -3.526
   78    HA   ALA   9           HA       ALA   9 -15.607 -10.290  -5.541
   79   1HB   ALA   9          1HB       ALA   9 -14.119  -9.387  -7.185
   80   2HB   ALA   9          2HB       ALA   9 -14.024  -8.373  -5.745
   81   3HB   ALA   9          3HB       ALA   9 -12.742  -9.535  -6.092
   82    H    GLY  10           H        GLY  10 -12.853 -11.931  -4.242
   83   1HA   GLY  10          1HA       GLY  10 -12.103 -14.083  -4.551
   84   2HA   GLY  10          2HA       GLY  10 -13.508 -14.371  -5.569
   85    H    ASP  11           H        ASP  11 -10.903 -12.012  -5.909
   86    HA   ASP  11           HA       ASP  11 -10.496 -13.044  -8.636
   87   1HB   ASP  11          2HB       ASP  11 -11.332 -10.633  -8.174
   88   2HB   ASP  11          1HB       ASP  11  -9.663 -10.309  -7.713
   89    H    LEU  12           H        LEU  12  -8.808 -11.798  -5.787
   90    HA   LEU  12           HA       LEU  12  -6.233 -12.300  -7.064
   91   1HB   LEU  12          2HB       LEU  12  -6.736 -11.024  -4.388
   92   2HB   LEU  12          1HB       LEU  12  -5.289 -10.929  -5.369
   93    HG   LEU  12           HG       LEU  12  -7.863  -9.826  -6.416
   94   1HD1  LEU  12          1HD1      LEU  12  -5.941  -8.262  -4.714
   95   2HD1  LEU  12          2HD1      LEU  12  -7.494  -7.738  -5.364
   96   3HD1  LEU  12          3HD1      LEU  12  -7.437  -8.956  -4.093
   97   1HD2  LEU  12          1HD2      LEU  12  -6.379  -9.618  -8.103
   98   2HD2  LEU  12          2HD2      LEU  12  -5.891  -8.181  -7.198
   99   3HD2  LEU  12          3HD2      LEU  12  -4.983  -9.682  -7.021
  100    HA   PRO  13           HA       PRO  13  -4.952 -15.789  -4.527
  101   1HB   PRO  13          2HB       PRO  13  -2.529 -14.141  -4.000
  102   2HB   PRO  13          1HB       PRO  13  -2.646 -15.791  -4.607
  103   1HG   PRO  13          2HG       PRO  13  -2.023 -13.829  -6.258
  104   2HG   PRO  13          1HG       PRO  13  -3.149 -15.100  -6.775
  105   1HD   PRO  13          2HD       PRO  13  -3.730 -12.309  -5.858
  106   2HD   PRO  13          1HD       PRO  13  -4.459 -13.230  -7.194
  107    H    TYR  14           H        TYR  14  -3.923 -16.149  -2.288
  108    HA   TYR  14           HA       TYR  14  -5.650 -14.956  -0.399
  109   1HB   TYR  14          2HB       TYR  14  -5.097 -17.054   0.291
  110   2HB   TYR  14          1HB       TYR  14  -3.477 -16.966  -0.387
  111    HD1  TYR  14           1HD      TYR  14  -5.559 -16.103   2.527
  112    HD2  TYR  14           2HD      TYR  14  -1.615 -16.290   0.952
  113    HE1  TYR  14           1HE      TYR  14  -4.649 -15.750   4.783
  114    HE2  TYR  14           2HE      TYR  14  -0.691 -15.945   3.202
  115    HH   TYR  14           HH       TYR  14  -2.270 -16.412   5.934
  116    H    GLY  15           H        GLY  15  -2.219 -14.450  -1.128
  117   1HA   GLY  15          1HA       GLY  15  -1.697 -12.791   1.116
  118   2HA   GLY  15          2HA       GLY  15  -0.699 -12.930  -0.328
  119    H    TRP  16           H        TRP  16  -3.107 -12.135  -1.966
  120    HA   TRP  16           HA       TRP  16  -2.479  -9.314  -1.877
  121   1HB   TRP  16          2HB       TRP  16  -4.004 -11.012  -3.842
  122   2HB   TRP  16          1HB       TRP  16  -3.762  -9.274  -4.028
  123    HD1  TRP  16           HD       TRP  16  -1.883 -12.585  -4.172
  124    HE1  TRP  16           1HE      TRP  16   0.395 -12.232  -5.277
  125    HE3  TRP  16           3HE      TRP  16  -1.997  -7.502  -4.386
  126    HZ2  TRP  16           2HZ      TRP  16   1.965  -9.966  -6.129
  127    HZ3  TRP  16           3HZ      TRP  16  -0.087  -6.308  -5.344
  128    HH2  TRP  16           HH       TRP  16   1.863  -7.514  -6.196
  129    H    GLU  17           H        GLU  17  -3.817  -7.671  -1.539
  130    HA   GLU  17           HA       GLU  17  -6.609  -8.283  -0.823
  131   1HB   GLU  17          2HB       GLU  17  -4.581  -6.907   0.645
  132   2HB   GLU  17          1HB       GLU  17  -5.822  -5.748   0.199
  133   1HG   GLU  17          2HG       GLU  17  -6.463  -8.370   1.507
  134   2HG   GLU  17          1HG       GLU  17  -6.110  -6.902   2.418
  135    H    GLN  18           H        GLN  18  -8.171  -6.713  -1.419
  136    HA   GLN  18           HA       GLN  18  -7.351  -5.082  -3.724
  137   1HB   GLN  18          2HB       GLN  18  -9.001  -6.578  -4.468
  138   2HB   GLN  18          1HB       GLN  18  -9.938  -6.428  -2.986
  139   1HG   GLN  18          2HG       GLN  18 -11.008  -4.568  -3.693
  140   2HG   GLN  18          1HG       GLN  18  -9.626  -3.993  -4.626
  141   1HE2  GLN  18          1HE2      GLN  18 -11.642  -3.598  -6.002
  142   2HE2  GLN  18          2HE2      GLN  18 -11.993  -4.811  -7.181
  143    H    GLU  19           H        GLU  19  -6.834  -3.143  -3.004
  144    HA   GLU  19           HA       GLU  19  -8.548  -1.892  -0.958
  145   1HB   GLU  19          2HB       GLU  19  -5.754  -0.986  -1.524
  146   2HB   GLU  19          1HB       GLU  19  -6.686  -0.823  -0.050
  147   1HG   GLU  19          2HG       GLU  19  -6.230  -3.598  -0.706
  148   2HG   GLU  19          1HG       GLU  19  -4.720  -2.699  -0.600
  149    H    THR  20           H        THR  20  -8.578   0.516  -1.074
  150    HA   THR  20           HA       THR  20  -8.595   1.406  -3.879
  151    HB   THR  20           HB       THR  20 -10.284   2.661  -1.737
  152    HG1  THR  20           1HG      THR  20 -10.762   0.288  -3.207
  153   1HG2  THR  20          1HG2      THR  20 -11.105   2.418  -4.569
  154   2HG2  THR  20          2HG2      THR  20  -9.744   3.485  -4.215
  155   3HG2  THR  20          3HG2      THR  20 -11.308   3.758  -3.441
  156    H    ASP  21           H        ASP  21  -7.590   3.295  -4.383
  157    HA   ASP  21           HA       ASP  21  -5.759   4.361  -2.464
  158   1HB   ASP  21          2HB       ASP  21  -4.611   5.099  -4.251
  159   2HB   ASP  21          1HB       ASP  21  -5.718   4.110  -5.184
  160    H    GLU  22           H        GLU  22  -5.541   6.882  -2.713
  161    HA   GLU  22           HA       GLU  22  -7.556   7.943  -1.070
  162   1HB   GLU  22          2HB       GLU  22  -5.992   9.920  -2.590
  163   2HB   GLU  22          1HB       GLU  22  -6.199   9.737  -0.854
  164   1HG   GLU  22          2HG       GLU  22  -4.491   7.823  -2.384
  165   2HG   GLU  22          1HG       GLU  22  -3.867   9.402  -1.900
  166    H    ASN  23           H        ASN  23  -6.990   8.197  -4.531
  167    HA   ASN  23           HA       ASN  23  -9.040  10.137  -4.995
  168   1HB   ASN  23          2HB       ASN  23  -7.625   8.250  -6.889
  169   2HB   ASN  23          1HB       ASN  23  -8.702   9.548  -7.391
  170   1HD2  ASN  23          1HD2      ASN  23  -5.602   8.751  -6.028
  171   2HD2  ASN  23          2HD2      ASN  23  -4.884  10.313  -6.273
  172    H    GLY  24           H        GLY  24  -8.786   6.636  -5.520
  173   1HA   GLY  24          1HA       GLY  24 -11.017   5.550  -4.776
  174   2HA   GLY  24          2HA       GLY  24 -11.679   6.548  -6.064
  175    H    GLN  25           H        GLN  25  -8.563   5.546  -6.785
  176    HA   GLN  25           HA       GLN  25  -9.519   3.610  -8.687
  177   1HB   GLN  25          2HB       GLN  25  -6.618   4.201  -8.218
  178   2HB   GLN  25          1HB       GLN  25  -7.425   3.742  -9.710
  179   1HG   GLN  25          2HG       GLN  25  -8.153   5.872 -10.137
  180   2HG   GLN  25          1HG       GLN  25  -8.097   6.344  -8.438
  181   1HE2  GLN  25          1HE2      GLN  25  -6.058   6.794  -7.488
  182   2HE2  GLN  25          2HE2      GLN  25  -4.730   7.309  -8.477
  183    H    VAL  26           H        VAL  26  -9.014   1.418  -8.651
  184    HA   VAL  26           HA       VAL  26  -8.425   0.420  -5.999
  185    HB   VAL  26           HB       VAL  26 -10.232  -0.478  -7.635
  186   1HG1  VAL  26          1HG1      VAL  26  -7.788  -1.380  -8.902
  187   2HG1  VAL  26          2HG1      VAL  26  -8.902  -2.703  -8.549
  188   3HG1  VAL  26          3HG1      VAL  26  -9.437  -1.336  -9.529
  189   1HG2  VAL  26          1HG2      VAL  26 -10.437  -2.283  -6.283
  190   2HG2  VAL  26          2HG2      VAL  26  -8.728  -2.701  -6.394
  191   3HG2  VAL  26          3HG2      VAL  26  -9.247  -1.375  -5.350
  192    H    PHE  27           H        PHE  27  -6.906  -1.224  -5.608
  193    HA   PHE  27           HA       PHE  27  -4.849  -1.814  -7.516
  194   1HB   PHE  27          2HB       PHE  27  -2.981  -0.872  -6.279
  195   2HB   PHE  27          1HB       PHE  27  -4.105   0.409  -6.712
  196    HD1  PHE  27           1HD      PHE  27  -2.496  -1.380  -4.011
  197    HD2  PHE  27           2HD      PHE  27  -5.566   1.397  -4.984
  198    HE1  PHE  27           1HE      PHE  27  -2.590  -0.676  -1.666
  199    HE2  PHE  27           2HE      PHE  27  -5.662   2.118  -2.643
  200    HZ   PHE  27           HZ       PHE  27  -4.195   1.080  -0.982
  201    H    PHE  28           H        PHE  28  -3.218  -3.279  -6.568
  202    HA   PHE  28           HA       PHE  28  -4.498  -4.910  -4.479
  203   1HB   PHE  28          2HB       PHE  28  -2.711  -5.990  -6.644
  204   2HB   PHE  28          1HB       PHE  28  -3.859  -6.865  -5.633
  205    HD1  PHE  28           1HD      PHE  28  -6.360  -5.922  -5.852
  206    HD2  PHE  28           2HD      PHE  28  -3.338  -5.608  -8.830
  207    HE1  PHE  28           1HE      PHE  28  -8.093  -5.668  -7.569
  208    HE2  PHE  28           2HE      PHE  28  -5.065  -5.346 -10.560
  209    HZ   PHE  28           HZ       PHE  28  -7.450  -5.375  -9.933
  210    H    VAL  29           H        VAL  29  -3.315  -5.439  -2.764
  211    HA   VAL  29           HA       VAL  29  -0.413  -5.056  -2.923
  212    HB   VAL  29           HB       VAL  29  -0.664  -3.255  -1.623
  213   1HG1  VAL  29          1HG1      VAL  29  -2.666  -2.791  -0.232
  214   2HG1  VAL  29          2HG1      VAL  29  -2.985  -3.008  -1.953
  215   3HG1  VAL  29          3HG1      VAL  29  -3.351  -4.307  -0.816
  216   1HG2  VAL  29          1HG2      VAL  29  -1.500  -4.599   0.830
  217   2HG2  VAL  29          2HG2      VAL  29  -0.174  -5.418  -0.005
  218   3HG2  VAL  29          3HG2      VAL  29  -0.012  -3.722   0.458
  219    H    ASP  30           H        ASP  30   0.724  -6.695  -2.259
  220    HA   ASP  30           HA       ASP  30  -0.522  -8.956  -0.967
  221   1HB   ASP  30          2HB       ASP  30   1.224 -10.082  -1.831
  222   2HB   ASP  30          1HB       ASP  30   1.751  -8.580  -2.580
  223    H    HIS  31           H        HIS  31  -0.421  -9.427   1.202
  224    HA   HIS  31           HA       HIS  31   0.612  -7.206   2.813
  225   1HB   HIS  31          2HB       HIS  31  -1.663  -9.096   3.140
  226   2HB   HIS  31          1HB       HIS  31  -0.916  -8.429   4.593
  227    HD1  HIS  31           1HD      HIS  31  -0.876  -5.744   4.736
  228    HD2  HIS  31           2HD      HIS  31  -3.358  -7.396   1.833
  229    HE1  HIS  31           1HE      HIS  31  -2.372  -3.867   3.964
  230    HE2  HIS  31           2HE      HIS  31  -3.953  -4.909   2.299
  231    H    ILE  32           H        ILE  32   1.946  -9.820   1.794
  232    HA   ILE  32           HA       ILE  32   3.095 -10.656   4.352
  233    HB   ILE  32           HB       ILE  32   3.869 -11.716   1.647
  234   1HG1  ILE  32          1HG1      ILE  32   1.923 -13.348   3.058
  235   2HG1  ILE  32          2HG1      ILE  32   1.266 -11.743   2.659
  236   1HG2  ILE  32          1HG2      ILE  32   4.171 -13.806   3.074
  237   2HG2  ILE  32          2HG2      ILE  32   5.316 -12.490   3.322
  238   3HG2  ILE  32          3HG2      ILE  32   3.999 -12.739   4.467
  239   1HD1  ILE  32          1HD1      ILE  32   0.963 -12.351   0.553
  240   2HD1  ILE  32          2HD1      ILE  32   2.658 -12.816   0.393
  241   3HD1  ILE  32          3HD1      ILE  32   1.474 -13.984   0.981
  242    H    ASN  33           H        ASN  33   4.164  -9.545   1.139
  243    HA   ASN  33           HA       ASN  33   6.720  -8.673   2.291
  244   1HB   ASN  33          2HB       ASN  33   5.943  -8.449  -0.615
  245   2HB   ASN  33          1HB       ASN  33   7.549  -8.528   0.081
  246   1HD2  ASN  33          1HD2      ASN  33   4.707 -10.325  -0.732
  247   2HD2  ASN  33          2HD2      ASN  33   5.465 -11.879  -0.721
  248    H    LYS  34           H        LYS  34   3.686  -7.480   1.380
  249    HA   LYS  34           HA       LYS  34   2.709  -5.457   1.655
  250   1HB   LYS  34          2HB       LYS  34   5.367  -4.917   2.837
  251   2HB   LYS  34          1HB       LYS  34   4.439  -3.519   2.314
  252   1HG   LYS  34          2HG       LYS  34   3.389  -3.607   4.262
  253   2HG   LYS  34          1HG       LYS  34   2.621  -5.096   3.704
  254   1HD   LYS  34          2HD       LYS  34   5.195  -5.812   4.549
  255   2HD   LYS  34          1HD       LYS  34   4.559  -4.721   5.784
  256   1HE   LYS  34          2HE       LYS  34   2.846  -6.134   6.346
  257   2HE   LYS  34          1HE       LYS  34   2.795  -6.884   4.749
  258   1HZ   LYS  34          1HZ       LYS  34   4.516  -8.295   5.258
  259   2HZ   LYS  34          2HZ       LYS  34   3.747  -8.187   6.761
  260   3HZ   LYS  34          3HZ       LYS  34   5.153  -7.290   6.460
  261    H    ARG  35           H        ARG  35   3.570  -6.344  -0.852
  262    HA   ARG  35           HA       ARG  35   4.689  -4.002  -2.181
  263   1HB   ARG  35          2HB       ARG  35   3.723  -6.564  -3.434
  264   2HB   ARG  35          1HB       ARG  35   4.713  -5.329  -4.190
  265   1HG   ARG  35          2HG       ARG  35   6.576  -5.856  -2.809
  266   2HG   ARG  35          1HG       ARG  35   5.602  -6.930  -1.805
  267   1HD   ARG  35          2HD       ARG  35   6.863  -8.315  -3.258
  268   2HD   ARG  35          1HD       ARG  35   5.208  -8.321  -3.862
  269    HE   ARG  35           HE       ARG  35   6.505  -6.308  -5.234
  270   1HH1  ARG  35          2HH1      ARG  35   6.891  -9.770  -4.837
  271   2HH1  ARG  35          1HH1      ARG  35   7.571 -10.011  -6.424
  272   1HH2  ARG  35          2HH2      ARG  35   7.394  -6.610  -7.321
  273   2HH2  ARG  35          1HH2      ARG  35   7.846  -8.212  -7.842
  274    H    THR  36           H        THR  36   3.583  -2.632  -3.424
  275    HA   THR  36           HA       THR  36   0.649  -2.986  -3.571
  276    HB   THR  36           HB       THR  36   0.983  -0.325  -3.933
  277    HG1  THR  36           1HG      THR  36   3.114  -0.126  -3.482
  278   1HG2  THR  36          1HG2      THR  36  -0.619  -1.117  -2.405
  279   2HG2  THR  36          2HG2      THR  36   0.491  -0.149  -1.431
  280   3HG2  THR  36          3HG2      THR  36   0.600  -1.912  -1.407
  281    H    THR  37           H        THR  37  -0.001  -3.379  -5.606
  282    HA   THR  37           HA       THR  37   1.358  -1.910  -7.763
  283    HB   THR  37           HB       THR  37   2.048  -4.156  -8.111
  284    HG1  THR  37           1HG      THR  37   0.021  -4.448  -9.901
  285   1HG2  THR  37          1HG2      THR  37   0.907  -5.965  -7.474
  286   2HG2  THR  37          2HG2      THR  37  -0.493  -5.496  -8.442
  287   3HG2  THR  37          3HG2      THR  37  -0.304  -4.869  -6.802
  288    H    TYR  38           H        TYR  38   0.083  -0.755  -9.060
  289    HA   TYR  38           HA       TYR  38  -2.778  -0.769  -8.514
  290   1HB   TYR  38          2HB       TYR  38  -0.910   1.104  -9.938
  291   2HB   TYR  38          1HB       TYR  38  -2.643   1.208 -10.230
  292    HD1  TYR  38           1HD      TYR  38  -3.875   2.643  -8.892
  293    HD2  TYR  38           2HD      TYR  38  -0.245   1.033  -7.367
  294    HE1  TYR  38           1HE      TYR  38  -4.141   3.996  -6.853
  295    HE2  TYR  38           2HE      TYR  38  -0.500   2.375  -5.325
  296    HH   TYR  38           HH       TYR  38  -2.681   4.930  -5.049
  297    H    LEU  39           H        LEU  39  -0.776  -2.447 -10.433
  298    HA   LEU  39           HA       LEU  39  -2.804  -2.770 -12.539
  299   1HB   LEU  39          2HB       LEU  39  -0.001  -2.376 -12.731
  300   2HB   LEU  39          1HB       LEU  39  -0.324  -4.029 -13.225
  301    HG   LEU  39           HG       LEU  39  -0.292  -2.429 -15.111
  302   1HD1  LEU  39          1HD1      LEU  39  -1.626  -4.541 -15.125
  303   2HD1  LEU  39          2HD1      LEU  39  -3.042  -3.570 -14.717
  304   3HD1  LEU  39          3HD1      LEU  39  -2.186  -3.290 -16.235
  305   1HD2  LEU  39          1HD2      LEU  39  -1.479  -0.651 -13.564
  306   2HD2  LEU  39          2HD2      LEU  39  -1.685  -0.637 -15.316
  307   3HD2  LEU  39          3HD2      LEU  39  -2.930  -1.346 -14.287
  308    H    ASP  40           H        ASP  40  -2.922  -5.011 -13.401
  309    HA   ASP  40           HA       ASP  40  -3.511  -6.804 -11.287
  310   1HB   ASP  40          2HB       ASP  40  -4.833  -6.854 -13.287
  311   2HB   ASP  40          1HB       ASP  40  -3.417  -7.136 -14.286
  312    HA   PRO  41           HA       PRO  41   0.626  -8.334 -10.765
  313   1HB   PRO  41          2HB       PRO  41  -0.532 -10.315  -8.964
  314   2HB   PRO  41          1HB       PRO  41   0.543  -8.962  -8.599
  315   1HG   PRO  41          2HG       PRO  41  -2.057  -9.017  -7.845
  316   2HG   PRO  41          1HG       PRO  41  -1.192  -7.517  -8.212
  317   1HD   PRO  41          2HD       PRO  41  -3.123  -9.057  -9.894
  318   2HD   PRO  41          1HD       PRO  41  -2.945  -7.301  -9.695
  319    H    ARG  42           H        ARG  42  -2.046 -10.257 -11.885
  320    HA   ARG  42           HA       ARG  42  -0.353 -12.606 -12.228
  321   1HB   ARG  42          2HB       ARG  42  -2.298 -13.815 -12.787
  322   2HB   ARG  42          1HB       ARG  42  -2.794 -12.717 -11.508
  323   1HG   ARG  42          2HG       ARG  42  -3.903 -11.291 -13.046
  324   2HG   ARG  42          1HG       ARG  42  -3.206 -12.138 -14.427
  325   1HD   ARG  42          2HD       ARG  42  -5.405 -12.932 -14.285
  326   2HD   ARG  42          1HD       ARG  42  -4.421 -14.203 -13.564
  327    HE   ARG  42           HE       ARG  42  -5.579 -13.915 -11.631
  328   1HH1  ARG  42          2HH1      ARG  42  -5.747 -10.872 -13.387
  329   2HH1  ARG  42          1HH1      ARG  42  -6.933 -10.187 -12.317
  330   1HH2  ARG  42          2HH2      ARG  42  -7.129 -12.998 -10.242
  331   2HH2  ARG  42          1HH2      ARG  42  -7.718 -11.384 -10.533
  332    H    LEU  43           H        LEU  43  -0.524  -9.831 -13.812
  333    HA   LEU  43           HA       LEU  43  -0.603 -10.892 -16.511
  334   1HB   LEU  43          2HB       LEU  43  -0.050  -8.114 -15.487
  335   2HB   LEU  43          1HB       LEU  43  -0.130  -8.549 -17.178
  336    HG   LEU  43           HG       LEU  43  -2.429  -8.869 -15.254
  337   1HD1  LEU  43          1HD1      LEU  43  -3.360  -6.879 -16.369
  338   2HD1  LEU  43          2HD1      LEU  43  -1.894  -6.531 -15.452
  339   3HD1  LEU  43          3HD1      LEU  43  -1.824  -6.661 -17.211
  340   1HD2  LEU  43          1HD2      LEU  43  -3.003  -8.611 -18.089
  341   2HD2  LEU  43          2HD2      LEU  43  -1.992 -10.012 -17.734
  342   3HD2  LEU  43          3HD2      LEU  43  -3.550  -9.822 -16.931
  343    H    ALA  44           H        ALA  44   1.722  -8.462 -15.551
  344    HA   ALA  44           HA       ALA  44   3.730  -9.901 -17.058
  345   1HB   ALA  44          1HB       ALA  44   3.647  -7.133 -15.890
  346   2HB   ALA  44          2HB       ALA  44   5.081  -7.797 -16.672
  347   3HB   ALA  44          3HB       ALA  44   3.585  -7.605 -17.587
  348    H    PHE  45           H        PHE  45   2.794 -10.174 -14.010
  349    HA   PHE  45           HA       PHE  45   5.511 -10.416 -12.905
  350   1HB   PHE  45          2HB       PHE  45   2.895 -10.432 -11.382
  351   2HB   PHE  45          1HB       PHE  45   4.512 -10.379 -10.693
  352    HD1  PHE  45           1HD      PHE  45   5.701  -8.340 -10.495
  353    HD2  PHE  45           2HD      PHE  45   1.985  -8.462 -12.564
  354    HE1  PHE  45           1HE      PHE  45   5.614  -5.881 -10.480
  355    HE2  PHE  45           2HE      PHE  45   1.888  -6.001 -12.545
  356    HZ   PHE  45           HZ       PHE  45   3.704  -4.709 -11.501
  357    H    THR  46           H        THR  46   3.470 -12.225 -14.544
  358    HA   THR  46           HA       THR  46   4.397 -14.688 -13.303
  359    HB   THR  46           HB       THR  46   1.537 -14.706 -14.119
  360    HG1  THR  46           1HG      THR  46   2.568 -13.348 -11.888
  361   1HG2  THR  46          1HG2      THR  46   1.580 -16.189 -11.966
  362   2HG2  THR  46          2HG2      THR  46   3.320 -16.173 -12.225
  363   3HG2  THR  46          3HG2      THR  46   2.252 -16.805 -13.474
  364    H    VAL  47           H        VAL  47   5.641 -15.171 -15.030
  365    HA   VAL  47           HA       VAL  47   6.091 -16.375 -16.892
  366    HB   VAL  47           HB       VAL  47   3.363 -16.926 -16.562
  367   1HG1  VAL  47          1HG1      VAL  47   3.659 -16.925 -19.490
  368   2HG1  VAL  47          2HG1      VAL  47   2.228 -16.661 -18.492
  369   3HG1  VAL  47          3HG1      VAL  47   3.374 -15.346 -18.757
  370   1HG2  VAL  47          1HG2      VAL  47   4.604 -18.796 -16.700
  371   2HG2  VAL  47          2HG2      VAL  47   4.140 -18.727 -18.399
  372   3HG2  VAL  47          3HG2      VAL  47   5.709 -18.108 -17.888
  373    H    ASP  48           H        ASP  48   6.529 -16.037 -19.085
  374    HA   ASP  48           HA       ASP  48   6.908 -14.890 -20.995
  375   1HB   ASP  48          2HB       ASP  48   4.367 -14.538 -20.906
  376   2HB   ASP  48          1HB       ASP  48   4.733 -12.932 -20.288
  377    H    ASP  49           H        ASP  49   8.902 -14.292 -20.245
  378    HA   ASP  49           HA       ASP  49   9.337 -11.974 -18.632
  379   1HB   ASP  49          2HB       ASP  49  10.818 -14.191 -19.245
  380   2HB   ASP  49          1HB       ASP  49  11.593 -12.970 -20.245
  381    H    ASN  50           H        ASN  50   9.776  -9.928 -19.236
  382    HA   ASN  50           HA       ASN  50  10.741  -9.198 -21.799
  383   1HB   ASN  50          2HB       ASN  50   8.435  -9.701 -22.490
  384   2HB   ASN  50          1HB       ASN  50   7.830  -8.552 -21.299
  385   1HD2  ASN  50          1HD2      ASN  50   6.954  -7.040 -22.585
  386   2HD2  ASN  50          2HD2      ASN  50   7.828  -6.129 -23.772
  387    HA   PRO  51           HA       PRO  51   9.926  -5.234 -19.201
  388   1HB   PRO  51          2HB       PRO  51   8.747  -5.445 -16.775
  389   2HB   PRO  51          1HB       PRO  51   7.816  -5.238 -18.263
  390   1HG   PRO  51          2HG       PRO  51   8.369  -7.730 -16.707
  391   2HG   PRO  51          1HG       PRO  51   6.857  -7.191 -17.462
  392   1HD   PRO  51          2HD       PRO  51   8.514  -9.032 -18.592
  393   2HD   PRO  51          1HD       PRO  51   7.482  -7.947 -19.539
  394    H    THR  52           H        THR  52  12.095  -6.846 -19.192
  395    HA   THR  52           HA       THR  52  13.098  -6.939 -16.442
  396    HB   THR  52           HB       THR  52  14.985  -7.875 -18.411
  397    HG1  THR  52           1HG      THR  52  13.011  -9.709 -18.562
  398   1HG2  THR  52          1HG2      THR  52  15.388  -9.156 -16.627
  399   2HG2  THR  52          2HG2      THR  52  13.872 -10.006 -16.924
  400   3HG2  THR  52          3HG2      THR  52  13.899  -8.598 -15.864
  401    H    LYS  53           H        LYS  53  12.706  -4.421 -17.717
  402    HA   LYS  53           HA       LYS  53  15.294  -3.266 -17.284
  403   1HB   LYS  53          2HB       LYS  53  14.374  -3.775 -19.996
  404   2HB   LYS  53          1HB       LYS  53  14.634  -2.059 -19.716
  405   1HG   LYS  53          2HG       LYS  53  16.643  -4.260 -19.301
  406   2HG   LYS  53          1HG       LYS  53  16.623  -3.094 -20.622
  407   1HD   LYS  53          2HD       LYS  53  17.000  -1.277 -19.066
  408   2HD   LYS  53          1HD       LYS  53  16.915  -2.392 -17.701
  409   1HE   LYS  53          2HE       LYS  53  18.834  -3.521 -19.327
  410   2HE   LYS  53          1HE       LYS  53  19.131  -1.790 -19.491
  411   1HZ   LYS  53          1HZ       LYS  53  19.370  -3.504 -17.128
  412   2HZ   LYS  53          2HZ       LYS  53  18.882  -1.894 -16.892
  413   3HZ   LYS  53          3HZ       LYS  53  20.363  -2.226 -17.649
  414    HA   PRO  54           HA       PRO  54  11.916  -0.599 -15.899
  415   1HB   PRO  54          2HB       PRO  54  13.774   0.432 -13.935
  416   2HB   PRO  54          1HB       PRO  54  12.362  -0.594 -13.679
  417   1HG   PRO  54          2HG       PRO  54  14.937  -1.434 -13.303
  418   2HG   PRO  54          1HG       PRO  54  13.598  -2.520 -13.715
  419   1HD   PRO  54          2HD       PRO  54  15.712  -1.356 -15.489
  420   2HD   PRO  54          1HD       PRO  54  15.028  -2.996 -15.477
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -8.158   1.309   1.363
    2   2H    GLY   1          2H        GLY   1  -8.413   2.729   0.468
    3   3H    GLY   1          3H        GLY   1  -9.485   2.309   1.715
    4   1HA   GLY   1          2HA       GLY   1  -6.618   2.931   2.133
    5   2HA   GLY   1          1HA       GLY   1  -7.909   4.112   2.311
    6    H    SER   2           H        SER   2  -6.023   1.866   3.880
    7    HA   SER   2           HA       SER   2  -5.928   1.057   5.981
    8   1HB   SER   2          2HB       SER   2  -8.224   2.691   6.947
    9   2HB   SER   2          1HB       SER   2  -6.658   2.390   7.698
   10    HG   SER   2           HG       SER   2  -7.204   4.577   6.691
   11    H    ALA   3           H        ALA   3  -9.418   1.714   6.062
   12    HA   ALA   3           HA       ALA   3  -9.823  -1.179   6.432
   13   1HB   ALA   3          1HB       ALA   3 -11.331  -0.792   8.085
   14   2HB   ALA   3          2HB       ALA   3 -10.370   0.676   8.271
   15   3HB   ALA   3          3HB       ALA   3 -11.888   0.723   7.375
   16    H    LYS   4           H        LYS   4 -10.870  -2.165   4.866
   17    HA   LYS   4           HA       LYS   4 -12.936  -0.686   3.389
   18   1HB   LYS   4          2HB       LYS   4 -10.720  -1.186   2.124
   19   2HB   LYS   4          1HB       LYS   4 -11.301  -2.847   2.088
   20   1HG   LYS   4          2HG       LYS   4 -13.482  -1.457   1.211
   21   2HG   LYS   4          1HG       LYS   4 -12.144  -0.520   0.538
   22   1HD   LYS   4          2HD       LYS   4 -11.857  -2.052  -1.050
   23   2HD   LYS   4          1HD       LYS   4 -11.581  -3.292   0.175
   24   1HE   LYS   4          2HE       LYS   4 -13.387  -4.112  -1.061
   25   2HE   LYS   4          1HE       LYS   4 -14.138  -3.398   0.363
   26   1HZ   LYS   4          1HZ       LYS   4 -15.270  -2.829  -1.733
   27   2HZ   LYS   4          2HZ       LYS   4 -13.873  -2.021  -2.256
   28   3HZ   LYS   4          3HZ       LYS   4 -14.714  -1.463  -0.895
   29    H    ARG   5           H        ARG   5 -14.714  -1.509   4.327
   30    HA   ARG   5           HA       ARG   5 -14.941  -4.250   5.123
   31   1HB   ARG   5          2HB       ARG   5 -17.534  -3.376   4.978
   32   2HB   ARG   5          1HB       ARG   5 -16.491  -3.209   6.382
   33   1HG   ARG   5          2HG       ARG   5 -16.712  -1.016   6.271
   34   2HG   ARG   5          1HG       ARG   5 -15.965  -1.017   4.671
   35   1HD   ARG   5          2HD       ARG   5 -18.855  -1.721   4.973
   36   2HD   ARG   5          1HD       ARG   5 -18.358  -0.029   4.995
   37    HE   ARG   5           HE       ARG   5 -17.169  -0.790   2.775
   38   1HH1  ARG   5          2HH1      ARG   5 -20.394  -1.626   3.906
   39   2HH1  ARG   5          1HH1      ARG   5 -21.029  -1.819   2.297
   40   1HH2  ARG   5          2HH2      ARG   5 -18.015  -1.056   0.687
   41   2HH2  ARG   5          1HH2      ARG   5 -19.682  -1.510   0.471
   42    H    LYS   6           H        LYS   6 -16.425  -5.806   4.246
   43    HA   LYS   6           HA       LYS   6 -17.190  -7.117   2.570
   44   1HB   LYS   6          2HB       LYS   6 -18.486  -4.746   2.197
   45   2HB   LYS   6          1HB       LYS   6 -17.688  -4.940   0.640
   46   1HG   LYS   6          2HG       LYS   6 -18.723  -7.424   1.025
   47   2HG   LYS   6          1HG       LYS   6 -19.939  -6.405   1.800
   48   1HD   LYS   6          2HD       LYS   6 -20.612  -5.501  -0.154
   49   2HD   LYS   6          1HD       LYS   6 -18.971  -5.431  -0.801
   50   1HE   LYS   6          2HE       LYS   6 -19.035  -7.717  -1.440
   51   2HE   LYS   6          1HE       LYS   6 -20.520  -7.996  -0.531
   52   1HZ   LYS   6          1HZ       LYS   6 -21.138  -7.829  -2.779
   53   2HZ   LYS   6          2HZ       LYS   6 -20.180  -6.447  -3.034
   54   3HZ   LYS   6          3HZ       LYS   6 -21.581  -6.345  -2.081
   55    H    ARG   7           H        ARG   7 -14.605  -7.154   2.696
   56    HA   ARG   7           HA       ARG   7 -13.574  -6.654  -0.016
   57   1HB   ARG   7          2HB       ARG   7 -11.331  -6.761   0.973
   58   2HB   ARG   7          1HB       ARG   7 -12.318  -5.532   1.750
   59   1HG   ARG   7          2HG       ARG   7 -12.219  -6.540   3.742
   60   2HG   ARG   7          1HG       ARG   7 -12.425  -8.149   3.050
   61   1HD   ARG   7          2HD       ARG   7 -10.024  -7.965   2.262
   62   2HD   ARG   7          1HD       ARG   7  -9.896  -6.535   3.287
   63    HE   ARG   7           HE       ARG   7 -10.425  -9.272   4.248
   64   1HH1  ARG   7          2HH1      ARG   7  -9.234  -6.022   4.772
   65   2HH1  ARG   7          1HH1      ARG   7  -8.643  -6.358   6.365
   66   1HH2  ARG   7          2HH2      ARG   7  -9.667  -9.715   6.354
   67   2HH2  ARG   7          1HH2      ARG   7  -8.893  -8.456   7.274
   68    H    VAL   8           H        VAL   8 -15.216  -8.942   0.929
   69    HA   VAL   8           HA       VAL   8 -13.395 -11.200   0.912
   70    HB   VAL   8           HB       VAL   8 -15.760 -12.419   0.808
   71   1HG1  VAL   8          1HG1      VAL   8 -15.620 -11.540   3.480
   72   2HG1  VAL   8          2HG1      VAL   8 -14.976 -13.030   2.791
   73   3HG1  VAL   8          3HG1      VAL   8 -13.966 -11.585   2.874
   74   1HG2  VAL   8          1HG2      VAL   8 -16.414  -9.721   1.997
   75   2HG2  VAL   8          2HG2      VAL   8 -17.046 -10.369   0.483
   76   3HG2  VAL   8          3HG2      VAL   8 -17.464 -11.140   2.016
   77    H    ALA   9           H        ALA   9 -12.880 -10.067  -1.356
   78    HA   ALA   9           HA       ALA   9 -14.576 -11.270  -3.430
   79   1HB   ALA   9          1HB       ALA   9 -14.446  -9.074  -4.044
   80   2HB   ALA   9          2HB       ALA   9 -12.842  -8.861  -3.344
   81   3HB   ALA   9          3HB       ALA   9 -13.026  -9.701  -4.882
   82    H    GLY  10           H        GLY  10 -13.894 -13.086  -4.330
   83   1HA   GLY  10          1HA       GLY  10 -11.164 -13.987  -3.939
   84   2HA   GLY  10          2HA       GLY  10 -12.471 -14.890  -4.697
   85    H    ASP  11           H        ASP  11 -10.525 -11.980  -5.268
   86    HA   ASP  11           HA       ASP  11 -10.587 -12.547  -8.150
   87   1HB   ASP  11          2HB       ASP  11 -10.870 -10.174  -6.686
   88   2HB   ASP  11          1HB       ASP  11  -9.267 -10.068  -7.405
   89    H    LEU  12           H        LEU  12  -8.340 -11.606  -5.592
   90    HA   LEU  12           HA       LEU  12  -6.070 -12.453  -7.232
   91   1HB   LEU  12          2HB       LEU  12  -5.820 -11.035  -4.618
   92   2HB   LEU  12          1HB       LEU  12  -4.779 -10.961  -6.025
   93    HG   LEU  12           HG       LEU  12  -7.455  -9.900  -6.508
   94   1HD1  LEU  12          1HD1      LEU  12  -7.458  -9.042  -4.340
   95   2HD1  LEU  12          2HD1      LEU  12  -5.714  -8.773  -4.343
   96   3HD1  LEU  12          3HD1      LEU  12  -6.769  -7.731  -5.301
   97   1HD2  LEU  12          1HD2      LEU  12  -5.891  -7.994  -7.280
   98   2HD2  LEU  12          2HD2      LEU  12  -4.608  -9.181  -7.022
   99   3HD2  LEU  12          3HD2      LEU  12  -5.909  -9.519  -8.169
  100    HA   PRO  13           HA       PRO  13  -4.698 -15.773  -4.452
  101   1HB   PRO  13          2HB       PRO  13  -2.334 -14.020  -3.928
  102   2HB   PRO  13          1HB       PRO  13  -2.387 -15.731  -4.354
  103   1HG   PRO  13          2HG       PRO  13  -1.724 -13.929  -6.179
  104   2HG   PRO  13          1HG       PRO  13  -2.771 -15.299  -6.601
  105   1HD   PRO  13          2HD       PRO  13  -3.486 -12.440  -6.143
  106   2HD   PRO  13          1HD       PRO  13  -4.164 -13.604  -7.298
  107    H    TYR  14           H        TYR  14  -3.951 -16.054  -2.148
  108    HA   TYR  14           HA       TYR  14  -5.816 -14.699  -0.511
  109   1HB   TYR  14          2HB       TYR  14  -5.479 -16.799   0.317
  110   2HB   TYR  14          1HB       TYR  14  -3.787 -16.833  -0.164
  111    HD1  TYR  14           1HD      TYR  14  -6.148 -15.729   2.449
  112    HD2  TYR  14           2HD      TYR  14  -2.057 -16.167   1.351
  113    HE1  TYR  14           1HE      TYR  14  -5.479 -15.286   4.771
  114    HE2  TYR  14           2HE      TYR  14  -1.380 -15.722   3.668
  115    HH   TYR  14           HH       TYR  14  -3.364 -14.351   5.920
  116    H    GLY  15           H        GLY  15  -2.326 -14.381  -0.919
  117   1HA   GLY  15          1HA       GLY  15  -1.841 -12.712   1.300
  118   2HA   GLY  15          2HA       GLY  15  -0.824 -12.841  -0.137
  119    H    TRP  16           H        TRP  16  -3.131 -12.038  -1.832
  120    HA   TRP  16           HA       TRP  16  -2.553  -9.218  -1.710
  121   1HB   TRP  16          2HB       TRP  16  -4.034 -10.941  -3.681
  122   2HB   TRP  16          1HB       TRP  16  -3.835  -9.198  -3.867
  123    HD1  TRP  16           HD       TRP  16  -1.893 -12.462  -4.071
  124    HE1  TRP  16           1HE      TRP  16   0.399 -12.021  -5.138
  125    HE3  TRP  16           3HE      TRP  16  -2.110  -7.381  -4.124
  126    HZ2  TRP  16           2HZ      TRP  16   1.922  -9.703  -5.897
  127    HZ3  TRP  16           3HZ      TRP  16  -0.213  -6.110  -5.009
  128    HH2  TRP  16           HH       TRP  16   1.770  -7.252  -5.887
  129    H    GLU  17           H        GLU  17  -3.927  -7.594  -1.332
  130    HA   GLU  17           HA       GLU  17  -6.743  -8.246  -0.787
  131   1HB   GLU  17          2HB       GLU  17  -4.781  -6.917   0.896
  132   2HB   GLU  17          1HB       GLU  17  -6.190  -5.898   0.615
  133   1HG   GLU  17          2HG       GLU  17  -7.644  -7.457   1.569
  134   2HG   GLU  17          1HG       GLU  17  -6.452  -8.754   1.473
  135    H    GLN  18           H        GLN  18  -8.251  -6.937  -1.693
  136    HA   GLN  18           HA       GLN  18  -7.309  -5.114  -3.751
  137   1HB   GLN  18          2HB       GLN  18  -8.992  -6.624  -4.496
  138   2HB   GLN  18          1HB       GLN  18 -10.004  -6.306  -3.095
  139   1HG   GLN  18          2HG       GLN  18 -10.817  -4.354  -3.954
  140   2HG   GLN  18          1HG       GLN  18  -9.384  -4.066  -4.944
  141   1HE2  GLN  18          1HE2      GLN  18  -9.208  -5.062  -6.934
  142   2HE2  GLN  18          2HE2      GLN  18 -10.545  -5.824  -7.728
  143    H    GLU  19           H        GLU  19  -6.730  -3.220  -2.933
  144    HA   GLU  19           HA       GLU  19  -8.402  -1.883  -0.938
  145   1HB   GLU  19          2HB       GLU  19  -5.550  -1.775  -1.743
  146   2HB   GLU  19          1HB       GLU  19  -6.272  -0.284  -1.157
  147   1HG   GLU  19          2HG       GLU  19  -6.653  -2.752   0.430
  148   2HG   GLU  19          1HG       GLU  19  -5.070  -1.963   0.445
  149    H    THR  20           H        THR  20  -8.447   0.541  -1.164
  150    HA   THR  20           HA       THR  20  -8.469   1.435  -3.960
  151    HB   THR  20           HB       THR  20 -10.621   2.151  -1.955
  152    HG1  THR  20           1HG      THR  20 -10.338   0.042  -3.661
  153   1HG2  THR  20          1HG2      THR  20  -9.795   3.689  -3.975
  154   2HG2  THR  20          2HG2      THR  20 -11.495   3.578  -3.512
  155   3HG2  THR  20          3HG2      THR  20 -10.887   2.636  -4.876
  156    H    ASP  21           H        ASP  21  -7.615   3.419  -4.292
  157    HA   ASP  21           HA       ASP  21  -6.149   4.533  -2.060
  158   1HB   ASP  21          2HB       ASP  21  -4.680   5.291  -3.612
  159   2HB   ASP  21          1HB       ASP  21  -5.505   4.158  -4.667
  160    H    GLU  22           H        GLU  22  -5.894   7.130  -2.569
  161    HA   GLU  22           HA       GLU  22  -8.248   8.215  -1.381
  162   1HB   GLU  22          2HB       GLU  22  -6.665  10.367  -2.197
  163   2HB   GLU  22          1HB       GLU  22  -6.693   9.617  -0.611
  164   1HG   GLU  22          2HG       GLU  22  -5.023   7.942  -1.900
  165   2HG   GLU  22          1HG       GLU  22  -4.681   9.453  -2.746
  166    H    ASN  23           H        ASN  23  -6.914   8.185  -4.618
  167    HA   ASN  23           HA       ASN  23  -8.706  10.183  -5.656
  168   1HB   ASN  23          2HB       ASN  23  -6.952   8.122  -7.016
  169   2HB   ASN  23          1HB       ASN  23  -7.899   9.321  -7.886
  170   1HD2  ASN  23          1HD2      ASN  23  -5.179   8.742  -5.835
  171   2HD2  ASN  23          2HD2      ASN  23  -4.423  10.287  -6.069
  172    H    GLY  24           H        GLY  24  -8.756   6.781  -5.116
  173   1HA   GLY  24          1HA       GLY  24 -10.880   5.663  -4.899
  174   2HA   GLY  24          2HA       GLY  24 -11.498   6.674  -6.191
  175    H    GLN  25           H        GLN  25  -8.364   5.660  -6.793
  176    HA   GLN  25           HA       GLN  25  -9.218   3.760  -8.772
  177   1HB   GLN  25          2HB       GLN  25  -7.044   5.483  -8.533
  178   2HB   GLN  25          1HB       GLN  25  -6.349   3.888  -8.287
  179   1HG   GLN  25          2HG       GLN  25  -8.037   4.686 -10.649
  180   2HG   GLN  25          1HG       GLN  25  -6.275   4.649 -10.632
  181   1HE2  GLN  25          1HE2      GLN  25  -5.245   2.746 -10.930
  182   2HE2  GLN  25          2HE2      GLN  25  -6.039   1.233 -11.176
  183    H    VAL  26           H        VAL  26  -8.751   1.559  -8.723
  184    HA   VAL  26           HA       VAL  26  -8.447   0.510  -6.038
  185    HB   VAL  26           HB       VAL  26 -10.123  -0.299  -7.863
  186   1HG1  VAL  26          1HG1      VAL  26  -9.053  -2.519  -8.800
  187   2HG1  VAL  26          2HG1      VAL  26  -8.944  -0.995  -9.685
  188   3HG1  VAL  26          3HG1      VAL  26  -7.578  -1.554  -8.714
  189   1HG2  VAL  26          1HG2      VAL  26 -10.556  -2.038  -6.513
  190   2HG2  VAL  26          2HG2      VAL  26  -8.886  -2.607  -6.538
  191   3HG2  VAL  26          3HG2      VAL  26  -9.338  -1.252  -5.502
  192    H    PHE  27           H        PHE  27  -6.968  -1.102  -5.509
  193    HA   PHE  27           HA       PHE  27  -4.808  -1.761  -7.270
  194   1HB   PHE  27          2HB       PHE  27  -2.987  -0.765  -6.023
  195   2HB   PHE  27          1HB       PHE  27  -4.104   0.496  -6.516
  196    HD1  PHE  27           1HD      PHE  27  -2.755  -1.389  -3.673
  197    HD2  PHE  27           2HD      PHE  27  -5.389   1.728  -4.894
  198    HE1  PHE  27           1HE      PHE  27  -2.874  -0.595  -1.354
  199    HE2  PHE  27           2HE      PHE  27  -5.517   2.527  -2.573
  200    HZ   PHE  27           HZ       PHE  27  -4.271   1.373  -0.804
  201    H    PHE  28           H        PHE  28  -3.317  -3.236  -6.319
  202    HA   PHE  28           HA       PHE  28  -4.651  -4.833  -4.241
  203   1HB   PHE  28          2HB       PHE  28  -2.784  -5.928  -6.337
  204   2HB   PHE  28          1HB       PHE  28  -3.990  -6.788  -5.384
  205    HD1  PHE  28           1HD      PHE  28  -6.460  -5.759  -5.723
  206    HD2  PHE  28           2HD      PHE  28  -3.282  -5.597  -8.550
  207    HE1  PHE  28           1HE      PHE  28  -8.097  -5.490  -7.532
  208    HE2  PHE  28           2HE      PHE  28  -4.914  -5.325 -10.371
  209    HZ   PHE  28           HZ       PHE  28  -7.326  -5.273  -9.867
  210    H    VAL  29           H        VAL  29  -3.503  -5.385  -2.481
  211    HA   VAL  29           HA       VAL  29  -0.623  -4.823  -2.561
  212    HB   VAL  29           HB       VAL  29  -1.044  -3.117  -1.202
  213   1HG1  VAL  29          1HG1      VAL  29  -3.159  -3.119   0.324
  214   2HG1  VAL  29          2HG1      VAL  29  -3.286  -2.803  -1.406
  215   3HG1  VAL  29          3HG1      VAL  29  -3.689  -4.400  -0.769
  216   1HG2  VAL  29          1HG2      VAL  29  -1.774  -4.568   1.201
  217   2HG2  VAL  29          2HG2      VAL  29  -0.437  -5.332   0.335
  218   3HG2  VAL  29          3HG2      VAL  29  -0.315  -3.646   0.833
  219    H    ASP  30           H        ASP  30   0.560  -6.481  -2.166
  220    HA   ASP  30           HA       ASP  30  -0.422  -8.871  -0.901
  221   1HB   ASP  30          2HB       ASP  30   1.397  -8.703  -2.707
  222   2HB   ASP  30          1HB       ASP  30   2.467  -8.159  -1.416
  223    H    HIS  31           H        HIS  31  -0.167  -9.450   1.208
  224    HA   HIS  31           HA       HIS  31   0.824  -7.302   2.940
  225   1HB   HIS  31          2HB       HIS  31  -1.214  -9.471   3.316
  226   2HB   HIS  31          1HB       HIS  31  -0.487  -8.676   4.712
  227    HD1  HIS  31           1HD      HIS  31  -1.020  -6.130   5.042
  228    HD2  HIS  31           2HD      HIS  31  -3.045  -7.935   1.889
  229    HE1  HIS  31           1HE      HIS  31  -2.805  -4.501   4.351
  230    HE2  HIS  31           2HE      HIS  31  -4.211  -5.781   2.708
  231    H    ILE  32           H        ILE  32   1.880 -10.164   1.685
  232    HA   ILE  32           HA       ILE  32   3.314 -11.043   4.053
  233    HB   ILE  32           HB       ILE  32   3.624 -12.046   1.227
  234   1HG1  ILE  32          1HG1      ILE  32   1.979 -13.563   3.166
  235   2HG1  ILE  32          2HG1      ILE  32   1.266 -12.050   2.557
  236   1HG2  ILE  32          1HG2      ILE  32   3.981 -14.115   3.068
  237   2HG2  ILE  32          2HG2      ILE  32   5.230 -13.291   2.135
  238   3HG2  ILE  32          3HG2      ILE  32   4.827 -12.730   3.759
  239   1HD1  ILE  32          1HD1      ILE  32   2.253 -14.346   0.860
  240   2HD1  ILE  32          2HD1      ILE  32   0.567 -13.976   1.228
  241   3HD1  ILE  32          3HD1      ILE  32   1.524 -12.852   0.265
  242    H    ASN  33           H        ASN  33   4.290 -10.099   0.744
  243    HA   ASN  33           HA       ASN  33   6.785  -9.057   1.909
  244   1HB   ASN  33          2HB       ASN  33   7.488  -9.105  -0.623
  245   2HB   ASN  33          1HB       ASN  33   7.503 -10.582   0.328
  246   1HD2  ASN  33          1HD2      ASN  33   7.031 -12.114  -1.078
  247   2HD2  ASN  33          2HD2      ASN  33   5.647 -12.113  -2.112
  248    H    LYS  34           H        LYS  34   4.089  -7.827   1.674
  249    HA   LYS  34           HA       LYS  34   3.100  -5.832   1.182
  250   1HB   LYS  34          2HB       LYS  34   5.069  -3.979   1.743
  251   2HB   LYS  34          1HB       LYS  34   3.960  -4.704   2.893
  252   1HG   LYS  34          2HG       LYS  34   6.337  -6.322   2.366
  253   2HG   LYS  34          1HG       LYS  34   6.679  -4.742   3.068
  254   1HD   LYS  34          2HD       LYS  34   5.305  -5.192   4.954
  255   2HD   LYS  34          1HD       LYS  34   4.631  -6.639   4.200
  256   1HE   LYS  34          2HE       LYS  34   6.242  -7.857   5.119
  257   2HE   LYS  34          1HE       LYS  34   7.452  -6.917   4.244
  258   1HZ   LYS  34          1HZ       LYS  34   6.391  -5.619   6.599
  259   2HZ   LYS  34          2HZ       LYS  34   7.997  -5.777   6.071
  260   3HZ   LYS  34          3HZ       LYS  34   7.254  -7.048   6.920
  261    H    ARG  35           H        ARG  35   3.037  -6.280  -1.176
  262    HA   ARG  35           HA       ARG  35   4.445  -4.073  -2.524
  263   1HB   ARG  35          2HB       ARG  35   3.445  -6.018  -4.410
  264   2HB   ARG  35          1HB       ARG  35   5.060  -5.351  -4.243
  265   1HG   ARG  35          2HG       ARG  35   5.806  -7.274  -3.451
  266   2HG   ARG  35          1HG       ARG  35   4.608  -7.244  -2.154
  267   1HD   ARG  35          2HD       ARG  35   3.634  -8.989  -3.124
  268   2HD   ARG  35          1HD       ARG  35   3.174  -7.919  -4.444
  269    HE   ARG  35           HE       ARG  35   5.570  -8.607  -5.270
  270   1HH1  ARG  35          2HH1      ARG  35   3.181 -10.661  -3.705
  271   2HH1  ARG  35          1HH1      ARG  35   3.626 -12.072  -4.616
  272   1HH2  ARG  35          2HH2      ARG  35   6.198 -10.476  -6.409
  273   2HH2  ARG  35          1HH2      ARG  35   5.371 -11.985  -6.128
  274    H    THR  36           H        THR  36   3.150  -2.491  -3.053
  275    HA   THR  36           HA       THR  36   0.263  -2.973  -3.384
  276    HB   THR  36           HB       THR  36   0.699  -0.250  -3.597
  277    HG1  THR  36           1HG      THR  36   2.691  -0.051  -2.804
  278   1HG2  THR  36          1HG2      THR  36  -1.095  -1.101  -2.318
  279   2HG2  THR  36          2HG2      THR  36  -0.068  -0.236  -1.178
  280   3HG2  THR  36          3HG2      THR  36  -0.013  -1.995  -1.252
  281    H    THR  37           H        THR  37  -0.357  -3.303  -5.445
  282    HA   THR  37           HA       THR  37   0.915  -1.692  -7.562
  283    HB   THR  37           HB       THR  37   1.781  -3.857  -7.966
  284    HG1  THR  37           1HG      THR  37  -0.394  -4.155  -9.677
  285   1HG2  THR  37          1HG2      THR  37  -0.661  -5.395  -8.246
  286   2HG2  THR  37          2HG2      THR  37  -0.435  -4.799  -6.602
  287   3HG2  THR  37          3HG2      THR  37   0.819  -5.780  -7.366
  288    H    TYR  38           H        TYR  38  -0.447  -0.637  -8.900
  289    HA   TYR  38           HA       TYR  38  -3.256  -0.618  -8.268
  290   1HB   TYR  38          2HB       TYR  38  -1.498   0.872 -10.192
  291   2HB   TYR  38          1HB       TYR  38  -3.249   0.961 -10.351
  292    HD1  TYR  38           1HD      TYR  38  -4.347   2.666  -9.267
  293    HD2  TYR  38           2HD      TYR  38  -0.607   1.346  -7.732
  294    HE1  TYR  38           1HE      TYR  38  -4.411   4.460  -7.588
  295    HE2  TYR  38           2HE      TYR  38  -0.664   3.128  -6.042
  296    HH   TYR  38           HH       TYR  38  -2.810   5.749  -6.220
  297    H    LEU  39           H        LEU  39  -1.209  -2.103 -10.613
  298    HA   LEU  39           HA       LEU  39  -3.524  -2.909 -12.218
  299   1HB   LEU  39          2HB       LEU  39  -0.868  -2.132 -12.887
  300   2HB   LEU  39          1HB       LEU  39  -1.075  -3.807 -13.361
  301    HG   LEU  39           HG       LEU  39  -1.574  -2.108 -15.145
  302   1HD1  LEU  39          1HD1      LEU  39  -2.430  -4.461 -15.120
  303   2HD1  LEU  39          2HD1      LEU  39  -3.930  -3.837 -14.431
  304   3HD1  LEU  39          3HD1      LEU  39  -3.414  -3.319 -16.038
  305   1HD2  LEU  39          1HD2      LEU  39  -2.900  -0.402 -14.672
  306   2HD2  LEU  39          2HD2      LEU  39  -4.242  -1.532 -14.476
  307   3HD2  LEU  39          3HD2      LEU  39  -3.259  -1.080 -13.084
  308    H    ASP  40           H        ASP  40  -3.273  -5.179 -13.165
  309    HA   ASP  40           HA       ASP  40  -3.468  -6.987 -11.011
  310   1HB   ASP  40          2HB       ASP  40  -4.787  -7.425 -12.939
  311   2HB   ASP  40          1HB       ASP  40  -3.380  -7.390 -13.997
  312    HA   PRO  41           HA       PRO  41   0.847  -8.043 -10.807
  313   1HB   PRO  41          2HB       PRO  41   0.744  -9.374  -8.488
  314   2HB   PRO  41          1HB       PRO  41   0.517  -7.625  -8.560
  315   1HG   PRO  41          2HG       PRO  41  -1.485  -9.773  -8.160
  316   2HG   PRO  41          1HG       PRO  41  -1.479  -8.112  -7.550
  317   1HD   PRO  41          2HD       PRO  41  -2.890  -9.103  -9.797
  318   2HD   PRO  41          1HD       PRO  41  -2.716  -7.404  -9.308
  319    H    ARG  42           H        ARG  42  -0.947  -9.707 -12.453
  320    HA   ARG  42           HA       ARG  42   0.415 -12.284 -12.019
  321   1HB   ARG  42          2HB       ARG  42  -2.215 -12.029 -11.639
  322   2HB   ARG  42          1HB       ARG  42  -2.228 -12.245 -13.385
  323   1HG   ARG  42          2HG       ARG  42  -1.127 -14.372 -13.184
  324   2HG   ARG  42          1HG       ARG  42  -0.927 -14.141 -11.443
  325   1HD   ARG  42          2HD       ARG  42  -2.790 -15.602 -11.793
  326   2HD   ARG  42          1HD       ARG  42  -3.404 -14.050 -11.229
  327    HE   ARG  42           HE       ARG  42  -3.607 -13.747 -13.875
  328   1HH1  ARG  42          2HH1      ARG  42  -4.582 -16.360 -11.757
  329   2HH1  ARG  42          1HH1      ARG  42  -5.845 -16.916 -12.819
  330   1HH2  ARG  42          2HH2      ARG  42  -5.277 -14.481 -15.263
  331   2HH2  ARG  42          1HH2      ARG  42  -6.245 -15.841 -14.790
  332    H    LEU  43           H        LEU  43  -0.777  -9.882 -14.245
  333    HA   LEU  43           HA       LEU  43  -0.559 -11.106 -16.692
  334   1HB   LEU  43          2HB       LEU  43   0.233  -8.271 -16.039
  335   2HB   LEU  43          1HB       LEU  43  -0.153  -8.879 -17.634
  336    HG   LEU  43           HG       LEU  43  -2.189  -9.073 -15.450
  337   1HD1  LEU  43          1HD1      LEU  43  -1.994  -6.656 -17.210
  338   2HD1  LEU  43          2HD1      LEU  43  -2.935  -6.890 -15.737
  339   3HD1  LEU  43          3HD1      LEU  43  -1.184  -6.712 -15.644
  340   1HD2  LEU  43          1HD2      LEU  43  -2.331 -10.117 -17.798
  341   2HD2  LEU  43          2HD2      LEU  43  -3.715  -9.209 -17.195
  342   3HD2  LEU  43          3HD2      LEU  43  -2.610  -8.465 -18.348
  343    H    ALA  44           H        ALA  44   1.996  -8.908 -15.547
  344    HA   ALA  44           HA       ALA  44   3.923 -10.524 -17.054
  345   1HB   ALA  44          1HB       ALA  44   4.470  -7.771 -16.015
  346   2HB   ALA  44          2HB       ALA  44   5.221  -8.617 -17.368
  347   3HB   ALA  44          3HB       ALA  44   3.567  -8.022 -17.508
  348    H    PHE  45           H        PHE  45   2.814 -10.565 -14.118
  349    HA   PHE  45           HA       PHE  45   5.397 -10.541 -12.728
  350   1HB   PHE  45          2HB       PHE  45   2.563 -10.476 -11.693
  351   2HB   PHE  45          1HB       PHE  45   3.967 -10.667 -10.651
  352    HD1  PHE  45           1HD      PHE  45   5.269  -8.821 -10.004
  353    HD2  PHE  45           2HD      PHE  45   2.272  -8.369 -12.990
  354    HE1  PHE  45           1HE      PHE  45   5.501  -6.378  -9.863
  355    HE2  PHE  45           2HE      PHE  45   2.492  -5.921 -12.848
  356    HZ   PHE  45           HZ       PHE  45   4.111  -4.925 -11.284
  357    H    THR  46           H        THR  46   4.321 -12.657 -14.533
  358    HA   THR  46           HA       THR  46   4.276 -14.906 -12.638
  359    HB   THR  46           HB       THR  46   3.668 -16.012 -15.061
  360    HG1  THR  46           1HG      THR  46   2.054 -13.715 -15.098
  361   1HG2  THR  46          1HG2      THR  46   2.451 -15.702 -12.629
  362   2HG2  THR  46          2HG2      THR  46   1.771 -16.585 -13.996
  363   3HG2  THR  46          3HG2      THR  46   1.316 -14.905 -13.715
  364    H    VAL  47           H        VAL  47   4.957 -15.576 -15.924
  365    HA   VAL  47           HA       VAL  47   7.848 -15.374 -15.623
  366    HB   VAL  47           HB       VAL  47   7.705 -17.843 -16.805
  367   1HG1  VAL  47          1HG1      VAL  47   9.150 -16.859 -14.904
  368   2HG1  VAL  47          2HG1      VAL  47   7.966 -17.610 -13.832
  369   3HG1  VAL  47          3HG1      VAL  47   8.888 -18.603 -14.961
  370   1HG2  VAL  47          1HG2      VAL  47   5.512 -18.450 -16.387
  371   2HG2  VAL  47          2HG2      VAL  47   6.353 -19.141 -14.998
  372   3HG2  VAL  47          3HG2      VAL  47   5.470 -17.623 -14.830
  373    H    ASP  48           H        ASP  48   5.134 -16.404 -17.644
  374    HA   ASP  48           HA       ASP  48   4.611 -16.076 -19.813
  375   1HB   ASP  48          2HB       ASP  48   5.571 -13.645 -18.932
  376   2HB   ASP  48          1HB       ASP  48   6.495 -13.927 -20.406
  377    H    ASP  49           H        ASP  49   6.789 -17.837 -19.101
  378    HA   ASP  49           HA       ASP  49   7.729 -18.340 -21.780
  379   1HB   ASP  49          2HB       ASP  49   9.412 -16.856 -20.163
  380   2HB   ASP  49          1HB       ASP  49   9.989 -18.503 -19.918
  381    H    ASN  50           H        ASN  50   5.958 -19.607 -19.979
  382    HA   ASN  50           HA       ASN  50   7.416 -22.097 -19.426
  383   1HB   ASN  50          2HB       ASN  50   6.666 -20.731 -17.373
  384   2HB   ASN  50          1HB       ASN  50   5.038 -21.260 -17.789
  385   1HD2  ASN  50          1HD2      ASN  50   8.301 -22.493 -17.172
  386   2HD2  ASN  50          2HD2      ASN  50   7.785 -23.972 -16.435
  387    HA   PRO  51           HA       PRO  51   2.900 -23.332 -20.795
  388   1HB   PRO  51          2HB       PRO  51   1.958 -20.854 -22.108
  389   2HB   PRO  51          1HB       PRO  51   1.090 -21.960 -21.038
  390   1HG   PRO  51          2HG       PRO  51   1.849 -19.537 -20.201
  391   2HG   PRO  51          1HG       PRO  51   1.883 -20.943 -19.120
  392   1HD   PRO  51          2HD       PRO  51   4.141 -19.620 -20.574
  393   2HD   PRO  51          1HD       PRO  51   4.086 -20.244 -18.913
  394    H    THR  52           H        THR  52   2.885 -20.854 -23.230
  395    HA   THR  52           HA       THR  52   4.639 -22.414 -24.976
  396    HB   THR  52           HB       THR  52   2.040 -21.397 -26.085
  397    HG1  THR  52           1HG      THR  52   2.471 -24.002 -24.979
  398   1HG2  THR  52          1HG2      THR  52   4.327 -22.788 -27.096
  399   2HG2  THR  52          2HG2      THR  52   2.905 -22.212 -27.969
  400   3HG2  THR  52          3HG2      THR  52   2.906 -23.823 -27.254
  401    H    LYS  53           H        LYS  53   6.190 -20.885 -25.077
  402    HA   LYS  53           HA       LYS  53   5.580 -18.122 -25.616
  403   1HB   LYS  53          2HB       LYS  53   7.868 -19.599 -24.756
  404   2HB   LYS  53          1HB       LYS  53   8.309 -18.663 -26.179
  405   1HG   LYS  53          2HG       LYS  53   6.903 -17.458 -23.817
  406   2HG   LYS  53          1HG       LYS  53   8.661 -17.559 -23.938
  407   1HD   LYS  53          2HD       LYS  53   7.244 -16.435 -26.274
  408   2HD   LYS  53          1HD       LYS  53   7.240 -15.452 -24.809
  409   1HE   LYS  53          2HE       LYS  53   9.749 -16.643 -25.959
  410   2HE   LYS  53          1HE       LYS  53   9.148 -15.055 -26.438
  411   1HZ   LYS  53          1HZ       LYS  53  10.695 -14.670 -24.738
  412   2HZ   LYS  53          2HZ       LYS  53  10.097 -15.922 -23.763
  413   3HZ   LYS  53          3HZ       LYS  53   9.185 -14.507 -23.986
  414    HA   PRO  54           HA       PRO  54   7.281 -19.384 -30.035
  415   1HB   PRO  54          2HB       PRO  54   6.568 -22.252 -30.070
  416   2HB   PRO  54          1HB       PRO  54   8.011 -21.443 -30.689
  417   1HG   PRO  54          2HG       PRO  54   8.106 -22.953 -28.484
  418   2HG   PRO  54          1HG       PRO  54   9.070 -21.473 -28.632
  419   1HD   PRO  54          2HD       PRO  54   6.519 -21.932 -27.140
  420   2HD   PRO  54          1HD       PRO  54   7.952 -20.995 -26.669
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   6.983  -8.465 -13.131
    2   2H    GLY   1          2H        GLY   1   8.138  -7.378 -12.532
    3   3H    GLY   1          3H        GLY   1   6.820  -7.827 -11.569
    4   1HA   GLY   1          2HA       GLY   1   9.210  -9.390 -12.287
    5   2HA   GLY   1          1HA       GLY   1   8.514  -9.108 -10.696
    6    H    SER   2           H        SER   2   8.933 -11.389 -13.029
    7    HA   SER   2           HA       SER   2   6.338 -12.671 -12.722
    8   1HB   SER   2          2HB       SER   2   8.018 -14.365 -14.181
    9   2HB   SER   2          1HB       SER   2   6.822 -13.246 -14.836
   10    HG   SER   2           HG       SER   2   9.476 -13.155 -15.067
   11    H    ALA   3           H        ALA   3   8.927 -12.545 -10.782
   12    HA   ALA   3           HA       ALA   3   9.273 -15.401 -10.342
   13   1HB   ALA   3          1HB       ALA   3  10.544 -13.183  -8.764
   14   2HB   ALA   3          2HB       ALA   3  11.089 -14.851  -8.945
   15   3HB   ALA   3          3HB       ALA   3  11.175 -13.742 -10.313
   16    H    LYS   4           H        LYS   4   6.703 -14.038  -9.721
   17    HA   LYS   4           HA       LYS   4   6.588 -14.483  -6.820
   18   1HB   LYS   4          2HB       LYS   4   5.591 -12.398  -8.190
   19   2HB   LYS   4          1HB       LYS   4   4.207 -13.479  -8.283
   20   1HG   LYS   4          2HG       LYS   4   3.898 -12.078  -6.393
   21   2HG   LYS   4          1HG       LYS   4   4.303 -13.686  -5.792
   22   1HD   LYS   4          2HD       LYS   4   6.748 -12.359  -6.112
   23   2HD   LYS   4          1HD       LYS   4   5.663 -11.181  -5.375
   24   1HE   LYS   4          2HE       LYS   4   5.439 -12.390  -3.449
   25   2HE   LYS   4          1HE       LYS   4   5.666 -13.935  -4.263
   26   1HZ   LYS   4          1HZ       LYS   4   7.967 -13.693  -4.250
   27   2HZ   LYS   4          2HZ       LYS   4   7.512 -13.106  -2.727
   28   3HZ   LYS   4          3HZ       LYS   4   7.899 -12.021  -3.972
   29    H    ARG   5           H        ARG   5   6.410 -16.277  -9.423
   30    HA   ARG   5           HA       ARG   5   5.633 -18.361  -9.870
   31   1HB   ARG   5          2HB       ARG   5   5.029 -18.067  -7.049
   32   2HB   ARG   5          1HB       ARG   5   3.818 -19.045  -7.862
   33   1HG   ARG   5          2HG       ARG   5   5.781 -20.359  -8.828
   34   2HG   ARG   5          1HG       ARG   5   6.760 -19.542  -7.612
   35   1HD   ARG   5          2HD       ARG   5   5.458 -20.468  -5.837
   36   2HD   ARG   5          1HD       ARG   5   4.271 -21.109  -6.970
   37    HE   ARG   5           HE       ARG   5   5.744 -22.829  -7.534
   38   1HH1  ARG   5          2HH1      ARG   5   7.157 -20.632  -5.200
   39   2HH1  ARG   5          1HH1      ARG   5   8.470 -21.696  -4.794
   40   1HH2  ARG   5          2HH2      ARG   5   7.472 -24.238  -6.981
   41   2HH2  ARG   5          1HH2      ARG   5   8.641 -23.733  -5.803
   42    H    LYS   6           H        LYS   6   3.516 -19.558 -10.306
   43    HA   LYS   6           HA       LYS   6   1.723 -17.610 -11.521
   44   1HB   LYS   6          2HB       LYS   6   1.381 -20.568 -11.828
   45   2HB   LYS   6          1HB       LYS   6   1.054 -19.285 -12.983
   46   1HG   LYS   6          2HG       LYS   6   3.227 -19.176 -13.689
   47   2HG   LYS   6          1HG       LYS   6   3.870 -19.785 -12.162
   48   1HD   LYS   6          2HD       LYS   6   2.778 -21.995 -12.753
   49   2HD   LYS   6          1HD       LYS   6   2.532 -21.333 -14.369
   50   1HE   LYS   6          2HE       LYS   6   5.058 -20.830 -14.303
   51   2HE   LYS   6          1HE       LYS   6   5.096 -21.971 -12.959
   52   1HZ   LYS   6          1HZ       LYS   6   4.875 -23.694 -14.331
   53   2HZ   LYS   6          2HZ       LYS   6   5.295 -22.624 -15.574
   54   3HZ   LYS   6          3HZ       LYS   6   3.661 -22.947 -15.253
   55    H    ARG   7           H        ARG   7   1.374 -17.426  -8.907
   56    HA   ARG   7           HA       ARG   7  -0.651 -19.271  -7.958
   57   1HB   ARG   7          2HB       ARG   7   1.250 -18.184  -6.573
   58   2HB   ARG   7          1HB       ARG   7   0.210 -16.768  -6.535
   59   1HG   ARG   7          2HG       ARG   7  -0.995 -17.629  -4.897
   60   2HG   ARG   7          1HG       ARG   7  -1.296 -19.097  -5.828
   61   1HD   ARG   7          2HD       ARG   7   1.282 -18.628  -4.361
   62   2HD   ARG   7          1HD       ARG   7  -0.120 -19.359  -3.581
   63    HE   ARG   7           HE       ARG   7   0.190 -20.874  -5.802
   64   1HH1  ARG   7          2HH1      ARG   7   2.406 -19.851  -3.286
   65   2HH1  ARG   7          1HH1      ARG   7   3.365 -21.299  -3.376
   66   1HH2  ARG   7          2HH2      ARG   7   1.476 -22.749  -5.956
   67   2HH2  ARG   7          1HH2      ARG   7   2.846 -22.949  -4.902
   68    H    VAL   8           H        VAL   8  -1.901 -18.411  -9.974
   69    HA   VAL   8           HA       VAL   8  -3.669 -16.267  -9.007
   70    HB   VAL   8           HB       VAL   8  -2.494 -15.289 -10.814
   71   1HG1  VAL   8          1HG1      VAL   8  -2.997 -17.846 -12.311
   72   2HG1  VAL   8          2HG1      VAL   8  -2.442 -16.362 -13.088
   73   3HG1  VAL   8          3HG1      VAL   8  -1.448 -17.138 -11.854
   74   1HG2  VAL   8          1HG2      VAL   8  -4.564 -15.744 -12.664
   75   2HG2  VAL   8          2HG2      VAL   8  -5.287 -15.868 -11.059
   76   3HG2  VAL   8          3HG2      VAL   8  -4.405 -14.412 -11.517
   77    H    ALA   9           H        ALA   9  -5.193 -17.579  -8.151
   78    HA   ALA   9           HA       ALA   9  -6.456 -19.584  -9.879
   79   1HB   ALA   9          1HB       ALA   9  -5.910 -19.443  -7.081
   80   2HB   ALA   9          2HB       ALA   9  -7.655 -19.554  -7.317
   81   3HB   ALA   9          3HB       ALA   9  -6.591 -20.779  -8.010
   82    H    GLY  10           H        GLY  10  -7.139 -17.487 -11.043
   83   1HA   GLY  10          1HA       GLY  10  -9.035 -16.335 -11.743
   84   2HA   GLY  10          2HA       GLY  10  -9.870 -16.888 -10.298
   85    H    ASP  11           H        ASP  11  -8.560 -15.990  -8.244
   86    HA   ASP  11           HA       ASP  11  -8.647 -13.085  -8.479
   87   1HB   ASP  11          2HB       ASP  11  -9.684 -14.665  -6.582
   88   2HB   ASP  11          1HB       ASP  11  -8.077 -14.467  -5.891
   89    H    LEU  12           H        LEU  12  -6.948 -12.333  -6.507
   90    HA   LEU  12           HA       LEU  12  -4.341 -12.666  -7.694
   91   1HB   LEU  12          2HB       LEU  12  -4.908 -11.375  -5.038
   92   2HB   LEU  12          1HB       LEU  12  -3.619 -11.016  -6.168
   93    HG   LEU  12           HG       LEU  12  -6.312 -10.528  -7.226
   94   1HD1  LEU  12          1HD1      LEU  12  -5.642  -9.602  -4.592
   95   2HD1  LEU  12          2HD1      LEU  12  -5.774  -8.239  -5.702
   96   3HD1  LEU  12          3HD1      LEU  12  -7.123  -9.359  -5.518
   97   1HD2  LEU  12          1HD2      LEU  12  -4.681  -9.697  -8.584
   98   2HD2  LEU  12          2HD2      LEU  12  -4.987  -8.275  -7.586
   99   3HD2  LEU  12          3HD2      LEU  12  -3.605  -9.316  -7.238
  100    HA   PRO  13           HA       PRO  13  -2.588 -15.704  -4.850
  101   1HB   PRO  13          2HB       PRO  13  -0.620 -13.638  -4.019
  102   2HB   PRO  13          1HB       PRO  13  -0.345 -15.278  -4.614
  103   1HG   PRO  13          2HG       PRO  13   0.122 -13.155  -6.168
  104   2HG   PRO  13          1HG       PRO  13  -0.554 -14.656  -6.831
  105   1HD   PRO  13          2HD       PRO  13  -1.921 -12.069  -6.212
  106   2HD   PRO  13          1HD       PRO  13  -2.207 -13.213  -7.541
  107    H    TYR  14           H        TYR  14  -2.316 -16.041  -2.546
  108    HA   TYR  14           HA       TYR  14  -4.522 -15.064  -1.175
  109   1HB   TYR  14          2HB       TYR  14  -3.935 -17.102  -0.377
  110   2HB   TYR  14          1HB       TYR  14  -2.216 -16.811  -0.583
  111    HD1  TYR  14           1HD      TYR  14  -5.095 -16.300   1.650
  112    HD2  TYR  14           2HD      TYR  14  -0.878 -16.026   1.204
  113    HE1  TYR  14           1HE      TYR  14  -4.866 -16.008   4.076
  114    HE2  TYR  14           2HE      TYR  14  -0.632 -15.728   3.626
  115    HH   TYR  14           HH       TYR  14  -2.218 -14.825   5.557
  116    H    GLY  15           H        GLY  15  -1.150 -14.048  -0.989
  117   1HA   GLY  15          1HA       GLY  15  -1.425 -12.357   1.255
  118   2HA   GLY  15          2HA       GLY  15  -0.149 -12.271   0.045
  119    H    TRP  16           H        TRP  16  -2.160 -11.872  -2.126
  120    HA   TRP  16           HA       TRP  16  -2.056  -9.003  -1.950
  121   1HB   TRP  16          2HB       TRP  16  -2.915 -10.880  -4.142
  122   2HB   TRP  16          1HB       TRP  16  -2.937  -9.125  -4.301
  123    HD1  TRP  16           HD       TRP  16  -0.519 -12.057  -3.977
  124    HE1  TRP  16           1HE      TRP  16   1.816 -11.322  -4.747
  125    HE3  TRP  16           3HE      TRP  16  -1.501  -7.101  -4.562
  126    HZ2  TRP  16           2HZ      TRP  16   3.061  -8.851  -5.520
  127    HZ3  TRP  16           3HZ      TRP  16   0.292  -5.611  -5.312
  128    HH2  TRP  16           HH       TRP  16   2.534  -6.470  -5.782
  129    H    GLU  17           H        GLU  17  -3.612  -7.666  -1.483
  130    HA   GLU  17           HA       GLU  17  -6.394  -8.623  -1.572
  131   1HB   GLU  17          2HB       GLU  17  -4.943  -6.827   0.307
  132   2HB   GLU  17          1HB       GLU  17  -6.613  -6.421  -0.069
  133   1HG   GLU  17          2HG       GLU  17  -5.523  -8.823   1.327
  134   2HG   GLU  17          1HG       GLU  17  -6.796  -7.716   1.834
  135    H    GLN  18           H        GLN  18  -7.974  -7.222  -2.408
  136    HA   GLN  18           HA       GLN  18  -6.929  -5.310  -4.365
  137   1HB   GLN  18          2HB       GLN  18  -8.440  -7.045  -5.201
  138   2HB   GLN  18          1HB       GLN  18  -9.675  -6.547  -4.058
  139   1HG   GLN  18          2HG       GLN  18 -10.367  -4.873  -5.358
  140   2HG   GLN  18          1HG       GLN  18  -8.725  -4.404  -5.801
  141   1HE2  GLN  18          1HE2      GLN  18 -10.325  -4.190  -7.788
  142   2HE2  GLN  18          2HE2      GLN  18 -10.208  -5.505  -8.903
  143    H    GLU  19           H        GLU  19  -6.689  -3.328  -3.508
  144    HA   GLU  19           HA       GLU  19  -8.823  -2.333  -1.731
  145   1HB   GLU  19          2HB       GLU  19  -6.084  -1.140  -1.750
  146   2HB   GLU  19          1HB       GLU  19  -7.268  -1.169  -0.461
  147   1HG   GLU  19          2HG       GLU  19  -6.513  -3.846  -1.050
  148   2HG   GLU  19          1HG       GLU  19  -5.058  -2.865  -0.870
  149    H    THR  20           H        THR  20  -9.078   0.048  -1.773
  150    HA   THR  20           HA       THR  20  -8.355   1.188  -4.386
  151    HB   THR  20           HB       THR  20 -10.789   2.221  -3.033
  152    HG1  THR  20           1HG      THR  20 -10.490  -0.380  -4.013
  153   1HG2  THR  20          1HG2      THR  20 -10.970   3.223  -5.016
  154   2HG2  THR  20          2HG2      THR  20 -11.012   1.653  -5.825
  155   3HG2  THR  20          3HG2      THR  20  -9.464   2.444  -5.512
  156    H    ASP  21           H        ASP  21  -7.576   3.234  -4.400
  157    HA   ASP  21           HA       ASP  21  -6.682   4.246  -1.863
  158   1HB   ASP  21          2HB       ASP  21  -5.053   5.267  -3.037
  159   2HB   ASP  21          1HB       ASP  21  -5.590   4.247  -4.357
  160    H    GLU  22           H        GLU  22  -6.667   6.839  -1.974
  161    HA   GLU  22           HA       GLU  22  -9.322   7.447  -1.110
  162   1HB   GLU  22          2HB       GLU  22  -7.937   9.847  -1.098
  163   2HB   GLU  22          1HB       GLU  22  -8.063   8.712   0.238
  164   1HG   GLU  22          2HG       GLU  22  -5.980   7.766  -0.212
  165   2HG   GLU  22          1HG       GLU  22  -5.920   8.448  -1.836
  166    H    ASN  23           H        ASN  23  -7.825   7.671  -4.125
  167    HA   ASN  23           HA       ASN  23  -9.569   9.864  -4.994
  168   1HB   ASN  23          2HB       ASN  23  -7.261   8.512  -6.408
  169   2HB   ASN  23          1HB       ASN  23  -8.206   9.836  -7.060
  170   1HD2  ASN  23          1HD2      ASN  23  -5.872   8.889  -4.673
  171   2HD2  ASN  23          2HD2      ASN  23  -5.342  10.493  -4.271
  172    H    GLY  24           H        GLY  24  -9.530   6.571  -4.772
  173   1HA   GLY  24          1HA       GLY  24 -11.251   5.150  -5.494
  174   2HA   GLY  24          2HA       GLY  24 -11.683   6.324  -6.725
  175    H    GLN  25           H        GLN  25  -8.358   5.696  -6.521
  176    HA   GLN  25           HA       GLN  25  -8.423   4.145  -8.957
  177   1HB   GLN  25          2HB       GLN  25  -6.379   5.688  -7.455
  178   2HB   GLN  25          1HB       GLN  25  -5.802   4.323  -8.401
  179   1HG   GLN  25          2HG       GLN  25  -7.647   6.067  -9.843
  180   2HG   GLN  25          1HG       GLN  25  -6.157   6.857  -9.329
  181   1HE2  GLN  25          1HE2      GLN  25  -7.574   4.436 -11.350
  182   2HE2  GLN  25          2HE2      GLN  25  -6.156   4.100 -12.291
  183    H    VAL  26           H        VAL  26  -8.264   1.964  -8.960
  184    HA   VAL  26           HA       VAL  26  -7.993   0.605  -6.460
  185    HB   VAL  26           HB       VAL  26  -9.454  -0.200  -8.364
  186   1HG1  VAL  26          1HG1      VAL  26  -8.399  -1.687 -10.008
  187   2HG1  VAL  26          2HG1      VAL  26  -7.853  -0.015 -10.179
  188   3HG1  VAL  26          3HG1      VAL  26  -6.812  -1.209  -9.401
  189   1HG2  VAL  26          1HG2      VAL  26  -7.687  -2.439  -7.529
  190   2HG2  VAL  26          2HG2      VAL  26  -8.487  -1.482  -6.274
  191   3HG2  VAL  26          3HG2      VAL  26  -9.451  -2.310  -7.500
  192    H    PHE  27           H        PHE  27  -6.468  -0.854  -5.873
  193    HA   PHE  27           HA       PHE  27  -4.092  -1.256  -7.427
  194   1HB   PHE  27          2HB       PHE  27  -2.515  -0.371  -5.803
  195   2HB   PHE  27          1HB       PHE  27  -3.597   0.915  -6.319
  196    HD1  PHE  27           1HD      PHE  27  -2.389  -1.037  -3.546
  197    HD2  PHE  27           2HD      PHE  27  -5.431   1.652  -4.810
  198    HE1  PHE  27           1HE      PHE  27  -2.950  -0.586  -1.205
  199    HE2  PHE  27           2HE      PHE  27  -6.003   2.114  -2.469
  200    HZ   PHE  27           HZ       PHE  27  -4.785   0.986  -0.671
  201    H    PHE  28           H        PHE  28  -2.680  -2.805  -6.384
  202    HA   PHE  28           HA       PHE  28  -4.233  -4.564  -4.609
  203   1HB   PHE  28          2HB       PHE  28  -2.278  -5.462  -6.727
  204   2HB   PHE  28          1HB       PHE  28  -3.395  -6.461  -5.805
  205    HD1  PHE  28           1HD      PHE  28  -5.787  -6.429  -6.293
  206    HD2  PHE  28           2HD      PHE  28  -3.038  -4.186  -8.630
  207    HE1  PHE  28           1HE      PHE  28  -7.485  -6.177  -8.042
  208    HE2  PHE  28           2HE      PHE  28  -4.734  -3.927 -10.385
  209    HZ   PHE  28           HZ       PHE  28  -6.965  -4.922 -10.093
  210    H    VAL  29           H        VAL  29  -3.180  -5.416  -2.875
  211    HA   VAL  29           HA       VAL  29  -0.327  -4.791  -2.653
  212    HB   VAL  29           HB       VAL  29  -0.874  -3.090  -1.322
  213   1HG1  VAL  29          1HG1      VAL  29  -3.022  -2.877  -0.095
  214   2HG1  VAL  29          2HG1      VAL  29  -3.189  -3.045  -1.842
  215   3HG1  VAL  29          3HG1      VAL  29  -3.511  -4.425  -0.792
  216   1HG2  VAL  29          1HG2      VAL  29  -0.508  -3.578   0.854
  217   2HG2  VAL  29          2HG2      VAL  29  -1.757  -4.826   0.901
  218   3HG2  VAL  29          3HG2      VAL  29  -0.178  -5.177   0.189
  219    H    ASP  30           H        ASP  30   0.799  -6.453  -2.170
  220    HA   ASP  30           HA       ASP  30  -0.234  -8.860  -1.017
  221   1HB   ASP  30          2HB       ASP  30   1.723  -8.793  -2.573
  222   2HB   ASP  30          1HB       ASP  30   2.639  -7.936  -1.336
  223    H    HIS  31           H        HIS  31  -0.860  -8.880   1.062
  224    HA   HIS  31           HA       HIS  31   0.201  -6.915   2.901
  225   1HB   HIS  31          2HB       HIS  31  -2.032  -8.903   2.980
  226   2HB   HIS  31          1HB       HIS  31  -1.428  -8.233   4.493
  227    HD1  HIS  31           1HD      HIS  31  -1.437  -5.493   4.569
  228    HD2  HIS  31           2HD      HIS  31  -3.855  -7.331   1.719
  229    HE1  HIS  31           1HE      HIS  31  -3.071  -3.731   3.816
  230    HE2  HIS  31           2HE      HIS  31  -4.550  -4.860   2.113
  231    H    ILE  32           H        ILE  32   1.275  -9.838   1.888
  232    HA   ILE  32           HA       ILE  32   2.384 -10.619   4.487
  233    HB   ILE  32           HB       ILE  32   2.845 -12.016   1.857
  234   1HG1  ILE  32          1HG1      ILE  32   0.396 -11.745   2.323
  235   2HG1  ILE  32          2HG1      ILE  32   0.960 -13.431   2.239
  236   1HG2  ILE  32          1HG2      ILE  32   2.851 -13.944   3.720
  237   2HG2  ILE  32          2HG2      ILE  32   4.290 -13.044   3.244
  238   3HG2  ILE  32          3HG2      ILE  32   3.404 -12.581   4.696
  239   1HD1  ILE  32          1HD1      ILE  32   1.170 -13.071   4.869
  240   2HD1  ILE  32          2HD1      ILE  32  -0.097 -11.888   4.545
  241   3HD1  ILE  32          3HD1      ILE  32  -0.335 -13.576   4.100
  242    H    ASN  33           H        ASN  33   3.453  -9.924   1.170
  243    HA   ASN  33           HA       ASN  33   6.198  -9.583   2.098
  244   1HB   ASN  33          2HB       ASN  33   4.958  -9.586  -0.657
  245   2HB   ASN  33          1HB       ASN  33   6.663  -9.270  -0.369
  246   1HD2  ASN  33          1HD2      ASN  33   4.351 -11.600  -0.928
  247   2HD2  ASN  33          2HD2      ASN  33   5.308 -12.992  -0.523
  248    H    LYS  34           H        LYS  34   3.505  -7.688   1.801
  249    HA   LYS  34           HA       LYS  34   3.108  -5.476   2.025
  250   1HB   LYS  34          2HB       LYS  34   5.928  -5.691   2.966
  251   2HB   LYS  34          1HB       LYS  34   5.254  -4.088   2.706
  252   1HG   LYS  34          2HG       LYS  34   4.486  -4.230   4.782
  253   2HG   LYS  34          1HG       LYS  34   3.292  -5.364   4.151
  254   1HD   LYS  34          2HD       LYS  34   5.338  -7.052   4.504
  255   2HD   LYS  34          1HD       LYS  34   5.741  -5.861   5.741
  256   1HE   LYS  34          2HE       LYS  34   3.922  -6.352   7.012
  257   2HE   LYS  34          1HE       LYS  34   2.930  -6.784   5.620
  258   1HZ   LYS  34          1HZ       LYS  34   3.272  -8.849   6.417
  259   2HZ   LYS  34          2HZ       LYS  34   4.699  -8.438   7.228
  260   3HZ   LYS  34          3HZ       LYS  34   4.728  -8.739   5.559
  261    H    ARG  35           H        ARG  35   3.013  -5.972  -0.464
  262    HA   ARG  35           HA       ARG  35   4.637  -3.870  -1.752
  263   1HB   ARG  35          2HB       ARG  35   3.513  -5.909  -3.537
  264   2HB   ARG  35          1HB       ARG  35   5.087  -5.137  -3.564
  265   1HG   ARG  35          2HG       ARG  35   4.751  -6.988  -1.338
  266   2HG   ARG  35          1HG       ARG  35   4.602  -7.750  -2.923
  267   1HD   ARG  35          2HD       ARG  35   6.929  -6.338  -1.698
  268   2HD   ARG  35          1HD       ARG  35   6.874  -7.892  -2.528
  269    HE   ARG  35           HE       ARG  35   6.729  -6.682  -4.626
  270   1HH1  ARG  35          2HH1      ARG  35   7.585  -4.770  -1.815
  271   2HH1  ARG  35          1HH1      ARG  35   8.333  -3.507  -2.740
  272   1HH2  ARG  35          2HH2      ARG  35   7.696  -5.034  -5.849
  273   2HH2  ARG  35          1HH2      ARG  35   8.425  -3.666  -5.044
  274    H    THR  36           H        THR  36   3.417  -2.200  -2.299
  275    HA   THR  36           HA       THR  36   0.576  -2.629  -2.957
  276    HB   THR  36           HB       THR  36   0.993   0.092  -2.915
  277    HG1  THR  36           1HG      THR  36   2.023  -0.311  -0.475
  278   1HG2  THR  36          1HG2      THR  36  -0.917  -0.471  -1.867
  279   2HG2  THR  36          2HG2      THR  36   0.082  -0.373  -0.415
  280   3HG2  THR  36          3HG2      THR  36  -0.222  -1.937  -1.175
  281    H    THR  37           H        THR  37   0.285  -2.887  -5.086
  282    HA   THR  37           HA       THR  37   1.783  -1.114  -6.900
  283    HB   THR  37           HB       THR  37   2.681  -3.384  -7.128
  284    HG1  THR  37           1HG      THR  37   2.057  -3.634  -9.464
  285   1HG2  THR  37          1HG2      THR  37   0.008  -4.186  -6.818
  286   2HG2  THR  37          2HG2      THR  37   1.417  -5.214  -7.080
  287   3HG2  THR  37          3HG2      THR  37   0.471  -4.644  -8.455
  288    H    TYR  38           H        TYR  38   0.651  -0.075  -8.417
  289    HA   TYR  38           HA       TYR  38  -2.230  -0.176  -8.261
  290   1HB   TYR  38          2HB       TYR  38  -0.233   1.617  -9.587
  291   2HB   TYR  38          1HB       TYR  38  -1.910   1.654 -10.118
  292    HD1  TYR  38           1HD      TYR  38  -3.591   2.716  -8.814
  293    HD2  TYR  38           2HD      TYR  38   0.325   2.201  -7.230
  294    HE1  TYR  38           1HE      TYR  38  -4.152   4.220  -6.954
  295    HE2  TYR  38           2HE      TYR  38  -0.228   3.706  -5.365
  296    HH   TYR  38           HH       TYR  38  -2.878   5.727  -5.363
  297    H    LEU  39           H        LEU  39  -0.183  -2.125  -9.783
  298    HA   LEU  39           HA       LEU  39  -1.854  -2.332 -12.197
  299   1HB   LEU  39          2HB       LEU  39   0.946  -2.251 -11.944
  300   2HB   LEU  39          1HB       LEU  39   0.546  -3.909 -12.356
  301    HG   LEU  39           HG       LEU  39   1.012  -2.613 -14.358
  302   1HD1  LEU  39          1HD1      LEU  39  -0.858  -4.386 -14.221
  303   2HD1  LEU  39          2HD1      LEU  39  -1.947  -3.009 -14.397
  304   3HD1  LEU  39          3HD1      LEU  39  -0.753  -3.356 -15.649
  305   1HD2  LEU  39          1HD2      LEU  39   0.375  -0.409 -13.476
  306   2HD2  LEU  39          2HD2      LEU  39  -0.374  -0.746 -15.038
  307   3HD2  LEU  39          3HD2      LEU  39  -1.321  -0.887 -13.555
  308    H    ASP  40           H        ASP  40  -2.376  -4.441 -12.941
  309    HA   ASP  40           HA       ASP  40  -3.310  -6.055 -10.749
  310   1HB   ASP  40          2HB       ASP  40  -4.554  -5.449 -12.935
  311   2HB   ASP  40          1HB       ASP  40  -3.620  -6.754 -13.656
  312    HA   PRO  41           HA       PRO  41   0.255  -8.774 -11.096
  313   1HB   PRO  41          2HB       PRO  41  -0.605  -9.998  -8.632
  314   2HB   PRO  41          1HB       PRO  41   0.748  -8.900  -8.899
  315   1HG   PRO  41          2HG       PRO  41  -1.492  -8.257  -7.454
  316   2HG   PRO  41          1HG       PRO  41  -0.448  -7.072  -8.258
  317   1HD   PRO  41          2HD       PRO  41  -3.066  -8.213  -9.162
  318   2HD   PRO  41          1HD       PRO  41  -2.461  -6.546  -9.274
  319    H    ARG  42           H        ARG  42  -2.701  -9.469 -12.001
  320    HA   ARG  42           HA       ARG  42  -2.332 -12.387 -11.825
  321   1HB   ARG  42          2HB       ARG  42  -4.647 -12.675 -12.220
  322   2HB   ARG  42          1HB       ARG  42  -4.525 -11.357 -11.060
  323   1HG   ARG  42          2HG       ARG  42  -5.183  -9.770 -12.589
  324   2HG   ARG  42          1HG       ARG  42  -4.680 -10.737 -13.971
  325   1HD   ARG  42          2HD       ARG  42  -7.174 -10.475 -13.603
  326   2HD   ARG  42          1HD       ARG  42  -6.572 -12.115 -13.835
  327    HE   ARG  42           HE       ARG  42  -7.405 -12.630 -11.790
  328   1HH1  ARG  42          2HH1      ARG  42  -6.717  -9.183 -11.754
  329   2HH1  ARG  42          1HH1      ARG  42  -7.535  -8.921 -10.245
  330   1HH2  ARG  42          2HH2      ARG  42  -8.454 -12.268  -9.808
  331   2HH2  ARG  42          1HH2      ARG  42  -8.493 -10.672  -9.117
  332    H    LEU  43           H        LEU  43  -1.559  -9.939 -13.853
  333    HA   LEU  43           HA       LEU  43  -2.442 -11.189 -16.321
  334   1HB   LEU  43          2HB       LEU  43  -0.576  -8.862 -16.259
  335   2HB   LEU  43          1HB       LEU  43  -1.819  -9.257 -17.427
  336    HG   LEU  43           HG       LEU  43  -2.568  -8.468 -14.633
  337   1HD1  LEU  43          1HD1      LEU  43  -2.809  -6.136 -15.555
  338   2HD1  LEU  43          2HD1      LEU  43  -1.155  -6.677 -15.267
  339   3HD1  LEU  43          3HD1      LEU  43  -1.801  -6.654 -16.908
  340   1HD2  LEU  43          1HD2      LEU  43  -4.637  -8.562 -15.441
  341   2HD2  LEU  43          2HD2      LEU  43  -4.212  -7.517 -16.798
  342   3HD2  LEU  43          3HD2      LEU  43  -3.967  -9.258 -16.917
  343    H    ALA  44           H        ALA  44   0.769  -9.840 -15.581
  344    HA   ALA  44           HA       ALA  44   1.931 -11.749 -17.410
  345   1HB   ALA  44          1HB       ALA  44   2.552  -9.335 -17.362
  346   2HB   ALA  44          2HB       ALA  44   3.345  -9.628 -15.813
  347   3HB   ALA  44          3HB       ALA  44   3.922 -10.445 -17.267
  348    H    PHE  45           H        PHE  45   0.992 -12.284 -14.476
  349    HA   PHE  45           HA       PHE  45   3.466 -13.440 -13.434
  350   1HB   PHE  45          2HB       PHE  45   0.742 -13.050 -12.177
  351   2HB   PHE  45          1HB       PHE  45   2.083 -13.863 -11.377
  352    HD1  PHE  45           1HD      PHE  45   3.270 -12.602  -9.878
  353    HD2  PHE  45           2HD      PHE  45   1.477 -10.658 -13.211
  354    HE1  PHE  45           1HE      PHE  45   4.075 -10.433  -9.044
  355    HE2  PHE  45           2HE      PHE  45   2.280  -8.485 -12.389
  356    HZ   PHE  45           HZ       PHE  45   3.583  -8.370 -10.298
  357    H    THR  46           H        THR  46   0.681 -14.289 -15.157
  358    HA   THR  46           HA       THR  46   0.596 -17.057 -14.353
  359    HB   THR  46           HB       THR  46  -0.643 -16.272 -16.919
  360    HG1  THR  46           1HG      THR  46  -1.947 -15.352 -14.603
  361   1HG2  THR  46          1HG2      THR  46  -1.826 -17.527 -14.448
  362   2HG2  THR  46          2HG2      THR  46  -0.994 -18.440 -15.706
  363   3HG2  THR  46          3HG2      THR  46  -2.478 -17.564 -16.089
  364    H    VAL  47           H        VAL  47   2.945 -17.355 -14.778
  365    HA   VAL  47           HA       VAL  47   3.831 -17.490 -17.508
  366    HB   VAL  47           HB       VAL  47   5.244 -19.088 -15.434
  367   1HG1  VAL  47          1HG1      VAL  47   6.606 -19.042 -17.215
  368   2HG1  VAL  47          2HG1      VAL  47   5.852 -17.598 -17.888
  369   3HG1  VAL  47          3HG1      VAL  47   7.062 -17.450 -16.614
  370   1HG2  VAL  47          1HG2      VAL  47   6.293 -16.588 -14.999
  371   2HG2  VAL  47          2HG2      VAL  47   4.557 -16.273 -15.065
  372   3HG2  VAL  47          3HG2      VAL  47   5.198 -17.444 -13.914
  373    H    ASP  48           H        ASP  48   1.663 -18.766 -17.826
  374    HA   ASP  48           HA       ASP  48   1.835 -21.591 -17.218
  375   1HB   ASP  48          2HB       ASP  48  -0.298 -20.072 -17.334
  376   2HB   ASP  48          1HB       ASP  48  -0.210 -20.404 -19.061
  377    H    ASP  49           H        ASP  49   1.875 -19.512 -20.083
  378    HA   ASP  49           HA       ASP  49   2.735 -21.744 -21.744
  379   1HB   ASP  49          2HB       ASP  49   1.151 -19.658 -22.348
  380   2HB   ASP  49          1HB       ASP  49   2.703 -18.974 -22.820
  381    H    ASN  50           H        ASN  50   4.659 -21.415 -23.149
  382    HA   ASN  50           HA       ASN  50   6.879 -20.607 -21.470
  383   1HB   ASN  50          2HB       ASN  50   7.204 -22.681 -22.581
  384   2HB   ASN  50          1HB       ASN  50   6.691 -22.015 -24.130
  385   1HD2  ASN  50          1HD2      ASN  50   8.264 -21.637 -25.494
  386   2HD2  ASN  50          2HD2      ASN  50   9.901 -21.254 -25.083
  387    HA   PRO  51           HA       PRO  51   7.034 -16.663 -23.554
  388   1HB   PRO  51          2HB       PRO  51   8.821 -15.504 -21.921
  389   2HB   PRO  51          1HB       PRO  51   7.159 -15.812 -21.406
  390   1HG   PRO  51          2HG       PRO  51   9.652 -17.330 -20.775
  391   2HG   PRO  51          1HG       PRO  51   8.280 -16.941 -19.725
  392   1HD   PRO  51          2HD       PRO  51   8.661 -19.373 -20.979
  393   2HD   PRO  51          1HD       PRO  51   7.097 -18.766 -20.408
  394    H    THR  52           H        THR  52   8.162 -18.263 -25.204
  395    HA   THR  52           HA       THR  52  10.938 -18.366 -25.467
  396    HB   THR  52           HB       THR  52   9.789 -18.105 -28.058
  397    HG1  THR  52           1HG      THR  52   7.747 -18.493 -27.500
  398   1HG2  THR  52          1HG2      THR  52  11.589 -19.688 -27.021
  399   2HG2  THR  52          2HG2      THR  52  10.582 -20.264 -28.350
  400   3HG2  THR  52          3HG2      THR  52  10.211 -20.735 -26.691
  401    H    LYS  53           H        LYS  53   8.845 -16.332 -27.478
  402    HA   LYS  53           HA       LYS  53  10.061 -13.876 -26.810
  403   1HB   LYS  53          2HB       LYS  53  11.061 -13.443 -29.113
  404   2HB   LYS  53          1HB       LYS  53  11.983 -14.493 -28.048
  405   1HG   LYS  53          2HG       LYS  53  11.677 -16.318 -29.354
  406   2HG   LYS  53          1HG       LYS  53  10.086 -15.795 -29.907
  407   1HD   LYS  53          2HD       LYS  53  11.065 -14.205 -31.416
  408   2HD   LYS  53          1HD       LYS  53  12.676 -14.507 -30.761
  409   1HE   LYS  53          2HE       LYS  53  12.612 -15.721 -32.766
  410   2HE   LYS  53          1HE       LYS  53  12.338 -16.921 -31.506
  411   1HZ   LYS  53          1HZ       LYS  53  10.562 -17.490 -32.698
  412   2HZ   LYS  53          2HZ       LYS  53  10.614 -16.077 -33.637
  413   3HZ   LYS  53          3HZ       LYS  53   9.836 -16.066 -32.132
  414    HA   PRO  54           HA       PRO  54   6.072 -12.861 -28.436
  415   1HB   PRO  54          2HB       PRO  54   7.056 -10.077 -28.392
  416   2HB   PRO  54          1HB       PRO  54   5.692 -10.799 -27.533
  417   1HG   PRO  54          2HG       PRO  54   7.931 -10.095 -26.249
  418   2HG   PRO  54          1HG       PRO  54   7.015 -11.543 -25.788
  419   1HD   PRO  54          2HD       PRO  54   9.525 -11.322 -27.413
  420   2HD   PRO  54          1HD       PRO  54   9.104 -12.496 -26.146
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -2.291 -26.229 -19.023
    2   2H    GLY   1          2H        GLY   1  -2.273 -25.592 -17.453
    3   3H    GLY   1          3H        GLY   1  -1.045 -26.643 -17.951
    4   1HA   GLY   1          2HA       GLY   1  -0.889 -24.714 -19.815
    5   2HA   GLY   1          1HA       GLY   1  -1.340 -23.813 -18.374
    6    H    SER   2           H        SER   2   0.915 -22.975 -19.043
    7    HA   SER   2           HA       SER   2   2.978 -24.600 -17.719
    8   1HB   SER   2          2HB       SER   2   3.990 -22.268 -19.115
    9   2HB   SER   2          1HB       SER   2   4.376 -23.974 -19.365
   10    HG   SER   2           HG       SER   2   3.176 -22.551 -21.072
   11    H    ALA   3           H        ALA   3   1.462 -21.426 -17.860
   12    HA   ALA   3           HA       ALA   3   3.143 -20.249 -15.859
   13   1HB   ALA   3          1HB       ALA   3   1.007 -18.626 -15.885
   14   2HB   ALA   3          2HB       ALA   3   2.283 -18.564 -17.101
   15   3HB   ALA   3          3HB       ALA   3   0.785 -19.430 -17.438
   16    H    LYS   4           H        LYS   4   2.176 -19.334 -13.824
   17    HA   LYS   4           HA       LYS   4   0.987 -21.519 -12.365
   18   1HB   LYS   4          2HB       LYS   4   2.596 -19.238 -11.748
   19   2HB   LYS   4          1HB       LYS   4   1.154 -19.188 -10.745
   20   1HG   LYS   4          2HG       LYS   4   1.824 -20.911  -9.486
   21   2HG   LYS   4          1HG       LYS   4   2.395 -21.829 -10.881
   22   1HD   LYS   4          2HD       LYS   4   4.514 -21.063 -10.681
   23   2HD   LYS   4          1HD       LYS   4   3.996 -19.453 -10.176
   24   1HE   LYS   4          2HE       LYS   4   4.570 -19.995  -8.096
   25   2HE   LYS   4          1HE       LYS   4   3.253 -21.167  -8.093
   26   1HZ   LYS   4          1HZ       LYS   4   4.671 -22.877  -8.281
   27   2HZ   LYS   4          2HZ       LYS   4   5.838 -21.778  -7.721
   28   3HZ   LYS   4          3HZ       LYS   4   5.680 -22.071  -9.381
   29    H    ARG   5           H        ARG   5  -0.971 -21.279 -13.831
   30    HA   ARG   5           HA       ARG   5  -2.845 -19.235 -12.906
   31   1HB   ARG   5          2HB       ARG   5  -2.447 -20.303 -15.382
   32   2HB   ARG   5          1HB       ARG   5  -3.790 -21.279 -14.811
   33   1HG   ARG   5          2HG       ARG   5  -5.239 -19.621 -15.116
   34   2HG   ARG   5          1HG       ARG   5  -4.204 -18.466 -14.272
   35   1HD   ARG   5          2HD       ARG   5  -2.798 -18.540 -16.459
   36   2HD   ARG   5          1HD       ARG   5  -4.279 -19.171 -17.177
   37    HE   ARG   5           HE       ARG   5  -3.840 -16.481 -16.130
   38   1HH1  ARG   5          2HH1      ARG   5  -6.047 -18.812 -17.518
   39   2HH1  ARG   5          1HH1      ARG   5  -7.246 -17.630 -17.940
   40   1HH2  ARG   5          2HH2      ARG   5  -5.425 -14.915 -16.664
   41   2HH2  ARG   5          1HH2      ARG   5  -6.887 -15.413 -17.468
   42    H    LYS   6           H        LYS   6  -2.103 -22.577 -12.547
   43    HA   LYS   6           HA       LYS   6  -2.907 -24.236 -11.239
   44   1HB   LYS   6          2HB       LYS   6  -4.303 -21.982  -9.787
   45   2HB   LYS   6          1HB       LYS   6  -4.076 -23.610  -9.167
   46   1HG   LYS   6          2HG       LYS   6  -1.773 -23.312  -8.903
   47   2HG   LYS   6          1HG       LYS   6  -1.751 -21.885  -9.945
   48   1HD   LYS   6          2HD       LYS   6  -1.541 -21.241  -7.607
   49   2HD   LYS   6          1HD       LYS   6  -3.067 -20.657  -8.271
   50   1HE   LYS   6          2HE       LYS   6  -3.857 -21.536  -6.329
   51   2HE   LYS   6          1HE       LYS   6  -3.913 -22.998  -7.313
   52   1HZ   LYS   6          1HZ       LYS   6  -2.725 -23.859  -5.644
   53   2HZ   LYS   6          2HZ       LYS   6  -2.221 -22.349  -5.062
   54   3HZ   LYS   6          3HZ       LYS   6  -1.405 -23.072  -6.362
   55    H    ARG   7           H        ARG   7  -5.809 -22.758 -10.279
   56    HA   ARG   7           HA       ARG   7  -7.481 -23.550 -12.441
   57   1HB   ARG   7          2HB       ARG   7  -7.108 -25.795 -11.697
   58   2HB   ARG   7          1HB       ARG   7  -7.300 -25.337 -10.011
   59   1HG   ARG   7          2HG       ARG   7  -9.516 -25.572 -10.085
   60   2HG   ARG   7          1HG       ARG   7  -9.645 -24.749 -11.640
   61   1HD   ARG   7          2HD       ARG   7  -8.718 -26.890 -12.662
   62   2HD   ARG   7          1HD       ARG   7  -9.040 -27.642 -11.099
   63    HE   ARG   7           HE       ARG   7 -11.251 -26.241 -12.395
   64   1HH1  ARG   7          2HH1      ARG   7  -9.712 -29.278 -11.599
   65   2HH1  ARG   7          1HH1      ARG   7 -11.125 -30.237 -11.914
   66   1HH2  ARG   7          2HH2      ARG   7 -13.116 -27.480 -12.820
   67   2HH2  ARG   7          1HH2      ARG   7 -13.082 -29.207 -12.605
   68    H    VAL   8           H        VAL   8  -7.574 -23.396  -8.888
   69    HA   VAL   8           HA       VAL   8  -9.434 -21.134  -9.108
   70    HB   VAL   8           HB       VAL   8  -9.717 -23.606  -7.414
   71   1HG1  VAL   8          1HG1      VAL   8 -10.737 -20.858  -6.759
   72   2HG1  VAL   8          2HG1      VAL   8 -11.527 -22.318  -6.164
   73   3HG1  VAL   8          3HG1      VAL   8  -9.852 -21.979  -5.724
   74   1HG2  VAL   8          1HG2      VAL   8 -12.205 -22.828  -8.140
   75   2HG2  VAL   8          2HG2      VAL   8 -11.255 -22.201  -9.487
   76   3HG2  VAL   8          3HG2      VAL   8 -11.187 -23.916  -9.088
   77    H    ALA   9           H        ALA   9  -8.497 -19.425  -8.236
   78    HA   ALA   9           HA       ALA   9  -6.744 -19.801  -5.894
   79   1HB   ALA   9          1HB       ALA   9  -6.196 -18.544  -8.434
   80   2HB   ALA   9          2HB       ALA   9  -6.005 -17.393  -7.112
   81   3HB   ALA   9          3HB       ALA   9  -5.097 -18.907  -7.105
   82    H    GLY  10           H        GLY  10  -9.679 -18.997  -6.576
   83   1HA   GLY  10          1HA       GLY  10 -11.243 -17.753  -5.420
   84   2HA   GLY  10          2HA       GLY  10  -9.934 -17.063  -4.466
   85    H    ASP  11           H        ASP  11  -9.878 -14.947  -4.662
   86    HA   ASP  11           HA       ASP  11 -10.545 -13.710  -7.244
   87   1HB   ASP  11          2HB       ASP  11 -10.951 -12.962  -4.480
   88   2HB   ASP  11          1HB       ASP  11 -10.034 -11.711  -5.318
   89    H    LEU  12           H        LEU  12  -8.511 -12.199  -4.867
   90    HA   LEU  12           HA       LEU  12  -6.182 -12.354  -6.587
   91   1HB   LEU  12          2HB       LEU  12  -6.627 -11.087  -3.874
   92   2HB   LEU  12          1HB       LEU  12  -5.133 -10.990  -4.785
   93    HG   LEU  12           HG       LEU  12  -7.730  -9.961  -5.888
   94   1HD1  LEU  12          1HD1      LEU  12  -5.946  -8.795  -3.856
   95   2HD1  LEU  12          2HD1      LEU  12  -6.419  -7.731  -5.178
   96   3HD1  LEU  12          3HD1      LEU  12  -7.654  -8.496  -4.177
   97   1HD2  LEU  12          1HD2      LEU  12  -6.113  -8.554  -7.192
   98   2HD2  LEU  12          2HD2      LEU  12  -4.824  -9.573  -6.535
   99   3HD2  LEU  12          3HD2      LEU  12  -6.084 -10.285  -7.545
  100    HA   PRO  13           HA       PRO  13  -4.218 -15.765  -4.469
  101   1HB   PRO  13          2HB       PRO  13  -1.883 -13.987  -3.981
  102   2HB   PRO  13          1HB       PRO  13  -1.946 -15.577  -4.749
  103   1HG   PRO  13          2HG       PRO  13  -1.618 -13.381  -6.217
  104   2HG   PRO  13          1HG       PRO  13  -2.643 -14.712  -6.792
  105   1HD   PRO  13          2HD       PRO  13  -3.435 -12.085  -5.594
  106   2HD   PRO  13          1HD       PRO  13  -4.179 -12.989  -6.928
  107    H    TYR  14           H        TYR  14  -3.259 -16.313  -2.327
  108    HA   TYR  14           HA       TYR  14  -5.057 -15.469  -0.395
  109   1HB   TYR  14          2HB       TYR  14  -4.268 -17.571   0.021
  110   2HB   TYR  14          1HB       TYR  14  -2.630 -17.176  -0.481
  111    HD1  TYR  14           1HD      TYR  14  -5.002 -17.190   2.307
  112    HD2  TYR  14           2HD      TYR  14  -1.036 -16.292   1.079
  113    HE1  TYR  14           1HE      TYR  14  -4.314 -17.060   4.662
  114    HE2  TYR  14           2HE      TYR  14  -0.329 -16.157   3.424
  115    HH   TYR  14           HH       TYR  14  -2.316 -17.246   6.009
  116    H    GLY  15           H        GLY  15  -1.727 -14.440  -0.962
  117   1HA   GLY  15          1HA       GLY  15  -1.545 -12.879   1.430
  118   2HA   GLY  15          2HA       GLY  15  -0.422 -12.861   0.076
  119    H    TRP  16           H        TRP  16  -2.783 -12.193  -1.746
  120    HA   TRP  16           HA       TRP  16  -2.271  -9.356  -1.563
  121   1HB   TRP  16          2HB       TRP  16  -3.641 -11.060  -3.634
  122   2HB   TRP  16          1HB       TRP  16  -3.507  -9.306  -3.766
  123    HD1  TRP  16           HD       TRP  16  -1.400 -12.479  -3.870
  124    HE1  TRP  16           1HE      TRP  16   0.884 -11.965  -4.903
  125    HE3  TRP  16           3HE      TRP  16  -1.874  -7.419  -4.133
  126    HZ2  TRP  16           2HZ      TRP  16   2.297  -9.615  -5.739
  127    HZ3  TRP  16           3HZ      TRP  16  -0.018  -6.103  -5.051
  128    HH2  TRP  16           HH       TRP  16   2.028  -7.179  -5.841
  129    H    GLU  17           H        GLU  17  -3.643  -7.741  -1.276
  130    HA   GLU  17           HA       GLU  17  -6.483  -8.338  -0.750
  131   1HB   GLU  17          2HB       GLU  17  -4.518  -6.942   0.829
  132   2HB   GLU  17          1HB       GLU  17  -5.814  -5.845   0.388
  133   1HG   GLU  17          2HG       GLU  17  -7.283  -7.915   1.189
  134   2HG   GLU  17          1HG       GLU  17  -5.838  -8.205   2.159
  135    H    GLN  18           H        GLN  18  -8.003  -6.819  -1.561
  136    HA   GLN  18           HA       GLN  18  -6.976  -5.222  -3.798
  137   1HB   GLN  18          2HB       GLN  18  -8.722  -6.831  -4.356
  138   2HB   GLN  18          1HB       GLN  18  -9.784  -6.136  -3.137
  139   1HG   GLN  18          2HG       GLN  18 -10.410  -4.445  -4.472
  140   2HG   GLN  18          1HG       GLN  18  -8.796  -4.249  -5.158
  141   1HE2  GLN  18          1HE2      GLN  18 -11.133  -4.141  -6.687
  142   2HE2  GLN  18          2HE2      GLN  18 -11.160  -5.502  -7.760
  143    H    GLU  19           H        GLU  19  -6.420  -3.260  -3.114
  144    HA   GLU  19           HA       GLU  19  -8.149  -1.883  -1.179
  145   1HB   GLU  19          2HB       GLU  19  -5.249  -1.670  -1.897
  146   2HB   GLU  19          1HB       GLU  19  -6.073  -0.308  -1.163
  147   1HG   GLU  19          2HG       GLU  19  -6.373  -2.913   0.177
  148   2HG   GLU  19          1HG       GLU  19  -4.772  -2.170   0.215
  149    H    THR  20           H        THR  20  -8.321   0.497  -1.531
  150    HA   THR  20           HA       THR  20  -7.986   1.299  -4.327
  151    HB   THR  20           HB       THR  20 -10.408   2.116  -2.723
  152    HG1  THR  20           1HG      THR  20  -9.881  -0.263  -3.919
  153   1HG2  THR  20          1HG2      THR  20  -9.273   3.105  -5.048
  154   2HG2  THR  20          2HG2      THR  20 -10.935   3.372  -4.509
  155   3HG2  THR  20          3HG2      THR  20 -10.569   2.056  -5.628
  156    H    ASP  21           H        ASP  21  -7.209   3.342  -4.599
  157    HA   ASP  21           HA       ASP  21  -6.236   4.676  -2.262
  158   1HB   ASP  21          2HB       ASP  21  -4.725   5.559  -3.670
  159   2HB   ASP  21          1HB       ASP  21  -5.425   4.548  -4.915
  160    H    GLU  22           H        GLU  22  -6.486   7.155  -2.385
  161    HA   GLU  22           HA       GLU  22  -9.204   7.513  -1.560
  162   1HB   GLU  22          2HB       GLU  22  -8.285   9.979  -1.272
  163   2HB   GLU  22          1HB       GLU  22  -7.867   8.695  -0.147
  164   1HG   GLU  22          2HG       GLU  22  -5.769   8.336  -1.372
  165   2HG   GLU  22          1HG       GLU  22  -6.187   9.674  -2.443
  166    H    ASN  23           H        ASN  23  -7.674   7.890  -4.520
  167    HA   ASN  23           HA       ASN  23  -9.596   9.896  -5.450
  168   1HB   ASN  23          2HB       ASN  23  -7.149   8.705  -6.779
  169   2HB   ASN  23          1HB       ASN  23  -8.210   9.893  -7.520
  170   1HD2  ASN  23          1HD2      ASN  23  -5.848   9.331  -5.014
  171   2HD2  ASN  23          2HD2      ASN  23  -5.502  11.011  -4.711
  172    H    GLY  24           H        GLY  24  -9.393   6.653  -5.059
  173   1HA   GLY  24          1HA       GLY  24 -11.096   5.156  -5.647
  174   2HA   GLY  24          2HA       GLY  24 -11.569   6.233  -6.951
  175    H    GLN  25           H        GLN  25  -8.224   5.634  -6.860
  176    HA   GLN  25           HA       GLN  25  -8.430   3.850  -9.118
  177   1HB   GLN  25          2HB       GLN  25  -6.378   5.602  -7.983
  178   2HB   GLN  25          1HB       GLN  25  -5.751   4.058  -8.539
  179   1HG   GLN  25          2HG       GLN  25  -7.352   6.002 -10.183
  180   2HG   GLN  25          1HG       GLN  25  -5.607   5.758 -10.267
  181   1HE2  GLN  25          1HE2      GLN  25  -8.619   4.798 -11.425
  182   2HE2  GLN  25          2HE2      GLN  25  -8.105   3.420 -12.343
  183    H    VAL  26           H        VAL  26  -8.435   1.691  -8.883
  184    HA   VAL  26           HA       VAL  26  -8.026   0.558  -6.288
  185    HB   VAL  26           HB       VAL  26  -9.602  -0.264  -8.220
  186   1HG1  VAL  26          1HG1      VAL  26  -8.177  -0.868  -9.945
  187   2HG1  VAL  26          2HG1      VAL  26  -6.995  -1.582  -8.847
  188   3HG1  VAL  26          3HG1      VAL  26  -8.518  -2.413  -9.165
  189   1HG2  VAL  26          1HG2      VAL  26  -9.015  -1.195  -5.815
  190   2HG2  VAL  26          2HG2      VAL  26 -10.053  -2.077  -6.936
  191   3HG2  VAL  26          3HG2      VAL  26  -8.350  -2.523  -6.773
  192    H    PHE  27           H        PHE  27  -6.560  -1.033  -5.732
  193    HA   PHE  27           HA       PHE  27  -4.354  -1.698  -7.418
  194   1HB   PHE  27          2HB       PHE  27  -2.567  -0.736  -6.075
  195   2HB   PHE  27          1HB       PHE  27  -3.627   0.541  -6.649
  196    HD1  PHE  27           1HD      PHE  27  -2.436  -1.306  -3.735
  197    HD2  PHE  27           2HD      PHE  27  -5.017   1.801  -5.097
  198    HE1  PHE  27           1HE      PHE  27  -2.684  -0.511  -1.432
  199    HE2  PHE  27           2HE      PHE  27  -5.269   2.599  -2.794
  200    HZ   PHE  27           HZ       PHE  27  -4.121   1.445  -0.959
  201    H    PHE  28           H        PHE  28  -2.968  -3.259  -6.418
  202    HA   PHE  28           HA       PHE  28  -4.419  -4.727  -4.317
  203   1HB   PHE  28          2HB       PHE  28  -2.601  -5.959  -6.386
  204   2HB   PHE  28          1HB       PHE  28  -3.785  -6.764  -5.360
  205    HD1  PHE  28           1HD      PHE  28  -6.260  -5.980  -5.686
  206    HD2  PHE  28           2HD      PHE  28  -3.169  -5.434  -8.558
  207    HE1  PHE  28           1HE      PHE  28  -7.945  -5.760  -7.445
  208    HE2  PHE  28           2HE      PHE  28  -4.857  -5.187 -10.325
  209    HZ   PHE  28           HZ       PHE  28  -7.251  -5.357  -9.775
  210    H    VAL  29           H        VAL  29  -3.308  -5.443  -2.569
  211    HA   VAL  29           HA       VAL  29  -0.417  -4.958  -2.540
  212    HB   VAL  29           HB       VAL  29  -0.832  -3.138  -1.300
  213   1HG1  VAL  29          1HG1      VAL  29  -3.353  -3.593  -1.725
  214   2HG1  VAL  29          2HG1      VAL  29  -3.348  -4.085  -0.032
  215   3HG1  VAL  29          3HG1      VAL  29  -2.850  -2.453  -0.477
  216   1HG2  VAL  29          1HG2      VAL  29   0.192  -4.042   0.495
  217   2HG2  VAL  29          2HG2      VAL  29  -1.410  -3.865   1.218
  218   3HG2  VAL  29          3HG2      VAL  29  -0.903  -5.422   0.565
  219    H    ASP  30           H        ASP  30   0.635  -6.689  -2.034
  220    HA   ASP  30           HA       ASP  30  -0.561  -8.928  -0.686
  221   1HB   ASP  30          2HB       ASP  30   1.117  -9.559  -2.213
  222   2HB   ASP  30          1HB       ASP  30   2.208  -8.279  -1.685
  223    H    HIS  31           H        HIS  31  -0.592  -9.299   1.463
  224    HA   HIS  31           HA       HIS  31   0.619  -7.214   3.132
  225   1HB   HIS  31          2HB       HIS  31  -1.689  -9.090   3.530
  226   2HB   HIS  31          1HB       HIS  31  -0.921  -8.313   4.913
  227    HD1  HIS  31           1HD      HIS  31  -1.104  -5.697   5.050
  228    HD2  HIS  31           2HD      HIS  31  -3.349  -7.474   2.042
  229    HE1  HIS  31           1HE      HIS  31  -2.699  -3.922   4.255
  230    HE2  HIS  31           2HE      HIS  31  -4.262  -5.142   2.693
  231    H    ILE  32           H        ILE  32   1.819  -9.832   1.994
  232    HA   ILE  32           HA       ILE  32   2.673 -11.110   4.469
  233    HB   ILE  32           HB       ILE  32   3.505 -11.758   1.639
  234   1HG1  ILE  32          1HG1      ILE  32   1.046 -11.911   1.970
  235   2HG1  ILE  32          2HG1      ILE  32   1.817 -13.473   1.605
  236   1HG2  ILE  32          1HG2      ILE  32   4.673 -13.494   2.440
  237   2HG2  ILE  32          2HG2      ILE  32   4.663 -12.578   3.944
  238   3HG2  ILE  32          3HG2      ILE  32   3.479 -13.859   3.684
  239   1HD1  ILE  32          1HD1      ILE  32   0.604 -14.219   3.327
  240   2HD1  ILE  32          2HD1      ILE  32   1.846 -13.462   4.327
  241   3HD1  ILE  32          3HD1      ILE  32   0.345 -12.603   3.983
  242    H    ASN  33           H        ASN  33   4.211  -9.641   1.601
  243    HA   ASN  33           HA       ASN  33   6.413  -8.780   3.373
  244   1HB   ASN  33          2HB       ASN  33   7.766  -8.793   1.146
  245   2HB   ASN  33          1HB       ASN  33   7.488 -10.308   1.990
  246   1HD2  ASN  33          1HD2      ASN  33   6.753 -11.914   0.823
  247   2HD2  ASN  33          2HD2      ASN  33   5.934 -11.766  -0.694
  248    H    LYS  34           H        LYS  34   3.817  -7.760   1.711
  249    HA   LYS  34           HA       LYS  34   2.961  -5.676   1.561
  250   1HB   LYS  34          2HB       LYS  34   5.642  -4.916   2.672
  251   2HB   LYS  34          1HB       LYS  34   4.469  -3.703   2.192
  252   1HG   LYS  34          2HG       LYS  34   3.785  -3.861   4.317
  253   2HG   LYS  34          1HG       LYS  34   2.936  -5.299   3.747
  254   1HD   LYS  34          2HD       LYS  34   5.565  -6.103   4.301
  255   2HD   LYS  34          1HD       LYS  34   5.067  -5.085   5.655
  256   1HE   LYS  34          2HE       LYS  34   2.973  -6.924   4.852
  257   2HE   LYS  34          1HE       LYS  34   4.461  -7.771   5.273
  258   1HZ   LYS  34          1HZ       LYS  34   4.455  -6.372   7.356
  259   2HZ   LYS  34          2HZ       LYS  34   3.255  -7.568   7.253
  260   3HZ   LYS  34          3HZ       LYS  34   2.863  -5.944   6.964
  261    H    ARG  35           H        ARG  35   2.894  -6.224  -0.717
  262    HA   ARG  35           HA       ARG  35   4.527  -4.307  -2.252
  263   1HB   ARG  35          2HB       ARG  35   3.316  -6.413  -3.864
  264   2HB   ARG  35          1HB       ARG  35   4.957  -5.792  -3.881
  265   1HG   ARG  35          2HG       ARG  35   5.698  -7.326  -2.335
  266   2HG   ARG  35          1HG       ARG  35   4.085  -7.598  -1.676
  267   1HD   ARG  35          2HD       ARG  35   4.546  -9.547  -2.876
  268   2HD   ARG  35          1HD       ARG  35   3.529  -8.604  -3.964
  269    HE   ARG  35           HE       ARG  35   5.238  -8.607  -5.456
  270   1HH1  ARG  35          2HH1      ARG  35   6.605  -9.140  -2.262
  271   2HH1  ARG  35          1HH1      ARG  35   8.240  -9.284  -2.855
  272   1HH2  ARG  35          2HH2      ARG  35   7.365  -8.825  -6.233
  273   2HH2  ARG  35          1HH2      ARG  35   8.660  -9.114  -5.101
  274    H    THR  36           H        THR  36   3.366  -2.673  -2.941
  275    HA   THR  36           HA       THR  36   0.458  -3.002  -3.329
  276    HB   THR  36           HB       THR  36   1.074  -0.296  -3.502
  277    HG1  THR  36           1HG      THR  36   2.973  -0.198  -2.495
  278   1HG2  THR  36          1HG2      THR  36   0.037  -0.211  -1.224
  279   2HG2  THR  36          2HG2      THR  36   0.075  -1.975  -1.218
  280   3HG2  THR  36          3HG2      THR  36  -0.886  -1.119  -2.424
  281    H    THR  37           H        THR  37  -0.101  -3.268  -5.412
  282    HA   THR  37           HA       THR  37   1.386  -1.779  -7.472
  283    HB   THR  37           HB       THR  37   2.108  -4.023  -7.785
  284    HG1  THR  37           1HG      THR  37   0.137  -4.252  -9.686
  285   1HG2  THR  37          1HG2      THR  37  -0.472  -5.307  -8.241
  286   2HG2  THR  37          2HG2      THR  37  -0.244  -4.772  -6.573
  287   3HG2  THR  37          3HG2      THR  37   0.925  -5.866  -7.319
  288    H    TYR  38           H        TYR  38   0.185  -0.662  -8.910
  289    HA   TYR  38           HA       TYR  38  -2.656  -0.461  -8.441
  290   1HB   TYR  38          2HB       TYR  38  -0.647   0.986 -10.104
  291   2HB   TYR  38          1HB       TYR  38  -2.343   1.113 -10.558
  292    HD1  TYR  38           1HD      TYR  38  -3.569   2.848  -9.652
  293    HD2  TYR  38           2HD      TYR  38  -0.194   1.395  -7.509
  294    HE1  TYR  38           1HE      TYR  38  -3.891   4.606  -7.964
  295    HE2  TYR  38           2HE      TYR  38  -0.507   3.148  -5.816
  296    HH   TYR  38           HH       TYR  38  -2.779   5.751  -6.260
  297    H    LEU  39           H        LEU  39  -0.643  -2.266 -10.523
  298    HA   LEU  39           HA       LEU  39  -2.871  -2.807 -12.350
  299   1HB   LEU  39          2HB       LEU  39  -0.554  -2.036 -13.155
  300   2HB   LEU  39          1HB       LEU  39  -0.042  -3.668 -12.763
  301    HG   LEU  39           HG       LEU  39  -2.429  -3.747 -14.348
  302   1HD1  LEU  39          1HD1      LEU  39  -1.148  -2.960 -16.444
  303   2HD1  LEU  39          2HD1      LEU  39  -1.941  -1.763 -15.418
  304   3HD1  LEU  39          3HD1      LEU  39  -0.198  -2.009 -15.303
  305   1HD2  LEU  39          1HD2      LEU  39  -0.192  -5.221 -13.862
  306   2HD2  LEU  39          2HD2      LEU  39  -1.389  -5.552 -15.115
  307   3HD2  LEU  39          3HD2      LEU  39   0.077  -4.651 -15.511
  308    H    ASP  40           H        ASP  40  -3.136  -5.025 -13.051
  309    HA   ASP  40           HA       ASP  40  -3.439  -6.722 -10.784
  310   1HB   ASP  40          2HB       ASP  40  -5.139  -6.952 -12.367
  311   2HB   ASP  40          1HB       ASP  40  -4.012  -7.001 -13.716
  312    HA   PRO  41           HA       PRO  41   0.590  -8.559 -10.988
  313   1HB   PRO  41          2HB       PRO  41  -0.266 -10.492  -9.003
  314   2HB   PRO  41          1HB       PRO  41   0.809  -9.107  -8.812
  315   1HG   PRO  41          2HG       PRO  41  -1.670  -9.242  -7.691
  316   2HG   PRO  41          1HG       PRO  41  -0.881  -7.721  -8.142
  317   1HD   PRO  41          2HD       PRO  41  -2.984  -9.270  -9.607
  318   2HD   PRO  41          1HD       PRO  41  -2.839  -7.516  -9.366
  319    H    ARG  42           H        ARG  42  -1.956  -9.837 -12.458
  320    HA   ARG  42           HA       ARG  42  -0.641 -12.440 -12.884
  321   1HB   ARG  42          2HB       ARG  42  -3.436 -11.719 -12.444
  322   2HB   ARG  42          1HB       ARG  42  -3.210 -12.698 -13.886
  323   1HG   ARG  42          2HG       ARG  42  -1.781 -13.649 -11.507
  324   2HG   ARG  42          1HG       ARG  42  -3.542 -13.692 -11.399
  325   1HD   ARG  42          2HD       ARG  42  -3.670 -15.424 -12.791
  326   2HD   ARG  42          1HD       ARG  42  -2.596 -14.657 -13.960
  327    HE   ARG  42           HE       ARG  42  -1.859 -16.533 -11.864
  328   1HH1  ARG  42          2HH1      ARG  42  -0.805 -14.327 -14.369
  329   2HH1  ARG  42          1HH1      ARG  42   0.815 -14.962 -14.423
  330   1HH2  ARG  42          2HH2      ARG  42   0.248 -17.395 -11.956
  331   2HH2  ARG  42          1HH2      ARG  42   1.406 -16.729 -13.070
  332    H    LEU  43           H        LEU  43  -1.212  -9.464 -14.234
  333    HA   LEU  43           HA       LEU  43  -1.626 -10.331 -16.957
  334   1HB   LEU  43          2HB       LEU  43  -1.152  -7.644 -15.686
  335   2HB   LEU  43          1HB       LEU  43  -1.248  -7.853 -17.420
  336    HG   LEU  43           HG       LEU  43  -3.461  -8.663 -15.549
  337   1HD1  LEU  43          1HD1      LEU  43  -3.499  -6.172 -17.200
  338   2HD1  LEU  43          2HD1      LEU  43  -4.473  -6.597 -15.792
  339   3HD1  LEU  43          3HD1      LEU  43  -2.776  -6.163 -15.592
  340   1HD2  LEU  43          1HD2      LEU  43  -3.148  -8.406 -18.513
  341   2HD2  LEU  43          2HD2      LEU  43  -3.734  -9.778 -17.573
  342   3HD2  LEU  43          3HD2      LEU  43  -4.737  -8.338 -17.749
  343    H    ALA  44           H        ALA  44   0.734  -7.889 -16.061
  344    HA   ALA  44           HA       ALA  44   2.638  -9.149 -17.878
  345   1HB   ALA  44          1HB       ALA  44   3.235  -6.517 -16.657
  346   2HB   ALA  44          2HB       ALA  44   3.469  -7.079 -18.314
  347   3HB   ALA  44          3HB       ALA  44   1.864  -6.598 -17.764
  348    H    PHE  45           H        PHE  45   2.002  -9.655 -14.858
  349    HA   PHE  45           HA       PHE  45   4.734  -9.454 -13.829
  350   1HB   PHE  45          2HB       PHE  45   2.125 -10.163 -12.468
  351   2HB   PHE  45          1HB       PHE  45   3.688 -10.213 -11.669
  352    HD1  PHE  45           1HD      PHE  45   4.559  -8.310 -10.662
  353    HD2  PHE  45           2HD      PHE  45   1.375  -7.927 -13.456
  354    HE1  PHE  45           1HE      PHE  45   4.337  -5.928 -10.078
  355    HE2  PHE  45           2HE      PHE  45   1.144  -5.546 -12.886
  356    HZ   PHE  45           HZ       PHE  45   2.630  -4.544 -11.193
  357    H    THR  46           H        THR  46   5.696 -11.050 -15.064
  358    HA   THR  46           HA       THR  46   4.714 -13.653 -15.422
  359    HB   THR  46           HB       THR  46   7.486 -13.864 -15.512
  360    HG1  THR  46           1HG      THR  46   8.093 -11.893 -16.582
  361   1HG2  THR  46          1HG2      THR  46   6.766 -13.012 -18.037
  362   2HG2  THR  46          2HG2      THR  46   5.249 -13.616 -17.367
  363   3HG2  THR  46          3HG2      THR  46   6.663 -14.666 -17.435
  364    H    VAL  47           H        VAL  47   7.281 -12.482 -13.248
  365    HA   VAL  47           HA       VAL  47   6.441 -14.429 -11.233
  366    HB   VAL  47           HB       VAL  47   9.301 -14.145 -12.200
  367   1HG1  VAL  47          1HG1      VAL  47   9.928 -15.702 -10.468
  368   2HG1  VAL  47          2HG1      VAL  47   9.139 -14.305  -9.738
  369   3HG1  VAL  47          3HG1      VAL  47   8.257 -15.821  -9.922
  370   1HG2  VAL  47          1HG2      VAL  47   8.067 -16.805 -11.999
  371   2HG2  VAL  47          2HG2      VAL  47   7.376 -15.752 -13.236
  372   3HG2  VAL  47          3HG2      VAL  47   9.100 -16.121 -13.256
  373    H    ASP  48           H        ASP  48   5.666 -12.755  -9.943
  374    HA   ASP  48           HA       ASP  48   7.444 -10.587  -9.207
  375   1HB   ASP  48          2HB       ASP  48   4.903 -10.356  -9.414
  376   2HB   ASP  48          1HB       ASP  48   4.803 -11.232  -7.889
  377    H    ASP  49           H        ASP  49   9.041 -12.190  -8.531
  378    HA   ASP  49           HA       ASP  49   9.033 -12.548  -5.679
  379   1HB   ASP  49          2HB       ASP  49   8.117 -14.633  -5.750
  380   2HB   ASP  49          1HB       ASP  49   8.413 -14.810  -7.473
  381    H    ASN  50           H        ASN  50  10.510 -13.301  -8.786
  382    HA   ASN  50           HA       ASN  50  13.162 -12.911  -7.573
  383   1HB   ASN  50          2HB       ASN  50  12.128 -14.890  -9.429
  384   2HB   ASN  50          1HB       ASN  50  13.508 -14.035 -10.114
  385   1HD2  ASN  50          1HD2      ASN  50  12.387 -16.106  -7.561
  386   2HD2  ASN  50          2HD2      ASN  50  13.952 -16.622  -7.023
  387    HA   PRO  51           HA       PRO  51  13.648  -9.108  -9.713
  388   1HB   PRO  51          2HB       PRO  51  16.389 -10.084 -10.365
  389   2HB   PRO  51          1HB       PRO  51  15.886  -8.581  -9.585
  390   1HG   PRO  51          2HG       PRO  51  16.947 -10.552  -8.157
  391   2HG   PRO  51          1HG       PRO  51  15.598  -9.592  -7.519
  392   1HD   PRO  51          2HD       PRO  51  15.592 -12.354  -8.651
  393   2HD   PRO  51          1HD       PRO  51  14.650 -11.682  -7.305
  394    H    THR  52           H        THR  52  15.007 -11.965 -11.358
  395    HA   THR  52           HA       THR  52  15.169 -12.543 -13.555
  396    HB   THR  52           HB       THR  52  12.909 -10.718 -14.286
  397    HG1  THR  52           1HG      THR  52  12.165 -11.533 -12.339
  398   1HG2  THR  52          1HG2      THR  52  12.600 -12.165 -15.980
  399   2HG2  THR  52          2HG2      THR  52  12.806 -13.572 -14.935
  400   3HG2  THR  52          3HG2      THR  52  14.220 -12.744 -15.587
  401    H    LYS  53           H        LYS  53  16.902 -10.651 -12.787
  402    HA   LYS  53           HA       LYS  53  17.265  -8.982 -15.140
  403   1HB   LYS  53          2HB       LYS  53  16.001  -7.906 -12.957
  404   2HB   LYS  53          1HB       LYS  53  17.681  -7.525 -12.612
  405   1HG   LYS  53          2HG       LYS  53  17.489  -6.779 -15.216
  406   2HG   LYS  53          1HG       LYS  53  15.867  -6.411 -14.622
  407   1HD   LYS  53          2HD       LYS  53  16.654  -4.554 -13.680
  408   2HD   LYS  53          1HD       LYS  53  17.702  -5.536 -12.655
  409   1HE   LYS  53          2HE       LYS  53  18.889  -5.429 -15.220
  410   2HE   LYS  53          1HE       LYS  53  18.417  -3.787 -14.791
  411   1HZ   LYS  53          1HZ       LYS  53  20.666  -4.344 -14.051
  412   2HZ   LYS  53          2HZ       LYS  53  20.045  -5.589 -13.078
  413   3HZ   LYS  53          3HZ       LYS  53  19.645  -3.971 -12.742
  414    HA   PRO  54           HA       PRO  54  21.559  -9.929 -14.211
  415   1HB   PRO  54          2HB       PRO  54  22.731  -7.724 -15.335
  416   2HB   PRO  54          1HB       PRO  54  22.184  -9.124 -16.262
  417   1HG   PRO  54          2HG       PRO  54  20.818  -6.499 -15.821
  418   2HG   PRO  54          1HG       PRO  54  20.954  -7.457 -17.306
  419   1HD   PRO  54          2HD       PRO  54  18.713  -7.465 -15.818
  420   2HD   PRO  54          1HD       PRO  54  19.278  -8.916 -16.672
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   7.510 -27.984   0.747
    2   2H    GLY   1          2H        GLY   1   8.671 -28.278   1.945
    3   3H    GLY   1          3H        GLY   1   8.787 -29.058   0.440
    4   1HA   GLY   1          2HA       GLY   1   9.960 -26.668   1.193
    5   2HA   GLY   1          1HA       GLY   1   9.962 -27.410  -0.401
    6    H    SER   2           H        SER   2   9.772 -25.554  -1.595
    7    HA   SER   2           HA       SER   2   7.955 -23.467  -0.967
    8   1HB   SER   2          2HB       SER   2   8.658 -23.422  -3.733
    9   2HB   SER   2          1HB       SER   2   9.268 -22.402  -2.431
   10    HG   SER   2           HG       SER   2  11.022 -23.578  -2.297
   11    H    ALA   3           H        ALA   3   5.967 -22.996  -1.790
   12    HA   ALA   3           HA       ALA   3   4.691 -25.065  -3.446
   13   1HB   ALA   3          1HB       ALA   3   3.853 -24.239  -1.036
   14   2HB   ALA   3          2HB       ALA   3   3.008 -23.073  -2.056
   15   3HB   ALA   3          3HB       ALA   3   2.757 -24.803  -2.296
   16    H    LYS   4           H        LYS   4   5.800 -23.977  -5.254
   17    HA   LYS   4           HA       LYS   4   5.003 -21.272  -5.914
   18   1HB   LYS   4          2HB       LYS   4   6.672 -23.275  -7.446
   19   2HB   LYS   4          1HB       LYS   4   6.441 -21.592  -7.897
   20   1HG   LYS   4          2HG       LYS   4   7.320 -21.516  -5.258
   21   2HG   LYS   4          1HG       LYS   4   8.302 -22.757  -6.039
   22   1HD   LYS   4          2HD       LYS   4   9.554 -20.925  -6.567
   23   2HD   LYS   4          1HD       LYS   4   8.443 -20.906  -7.938
   24   1HE   LYS   4          2HE       LYS   4   7.010 -19.456  -6.210
   25   2HE   LYS   4          1HE       LYS   4   8.627 -19.087  -5.608
   26   1HZ   LYS   4          1HZ       LYS   4   7.722 -18.744  -8.421
   27   2HZ   LYS   4          2HZ       LYS   4   9.254 -18.357  -7.815
   28   3HZ   LYS   4          3HZ       LYS   4   7.890 -17.495  -7.288
   29    H    ARG   5           H        ARG   5   2.735 -22.440  -5.767
   30    HA   ARG   5           HA       ARG   5   1.950 -23.288  -8.474
   31   1HB   ARG   5          2HB       ARG   5   1.476 -24.533  -6.055
   32   2HB   ARG   5          1HB       ARG   5  -0.022 -23.655  -6.340
   33   1HG   ARG   5          2HG       ARG   5  -0.604 -24.938  -8.102
   34   2HG   ARG   5          1HG       ARG   5   1.066 -25.188  -8.613
   35   1HD   ARG   5          2HD       ARG   5   1.391 -26.944  -7.156
   36   2HD   ARG   5          1HD       ARG   5   0.112 -26.404  -6.065
   37    HE   ARG   5           HE       ARG   5  -0.449 -27.561  -8.720
   38   1HH1  ARG   5          2HH1      ARG   5  -1.042 -27.351  -5.283
   39   2HH1  ARG   5          1HH1      ARG   5  -2.399 -28.435  -5.320
   40   1HH2  ARG   5          2HH2      ARG   5  -2.207 -29.016  -8.765
   41   2HH2  ARG   5          1HH2      ARG   5  -3.040 -29.395  -7.287
   42    H    LYS   6           H        LYS   6  -0.635 -22.751  -8.607
   43    HA   LYS   6           HA       LYS   6  -0.815 -19.900  -8.655
   44   1HB   LYS   6          2HB       LYS   6  -2.053 -21.821 -10.076
   45   2HB   LYS   6          1HB       LYS   6  -3.289 -21.539  -8.859
   46   1HG   LYS   6          2HG       LYS   6  -3.857 -20.124 -10.627
   47   2HG   LYS   6          1HG       LYS   6  -3.074 -19.070  -9.447
   48   1HD   LYS   6          2HD       LYS   6  -1.550 -18.469 -10.954
   49   2HD   LYS   6          1HD       LYS   6  -1.088 -20.156 -11.194
   50   1HE   LYS   6          2HE       LYS   6  -2.935 -20.408 -12.797
   51   2HE   LYS   6          1HE       LYS   6  -3.341 -18.706 -12.580
   52   1HZ   LYS   6          1HZ       LYS   6  -0.983 -19.898 -13.891
   53   2HZ   LYS   6          2HZ       LYS   6  -0.909 -18.315 -13.279
   54   3HZ   LYS   6          3HZ       LYS   6  -2.048 -18.712 -14.476
   55    H    ARG   7           H        ARG   7  -0.499 -19.252  -6.536
   56    HA   ARG   7           HA       ARG   7  -2.181 -20.310  -4.422
   57   1HB   ARG   7          2HB       ARG   7   0.343 -19.633  -4.301
   58   2HB   ARG   7          1HB       ARG   7  -0.287 -18.006  -4.086
   59   1HG   ARG   7          2HG       ARG   7   0.282 -19.465  -2.020
   60   2HG   ARG   7          1HG       ARG   7  -1.175 -18.473  -2.027
   61   1HD   ARG   7          2HD       ARG   7  -1.983 -20.875  -3.153
   62   2HD   ARG   7          1HD       ARG   7  -0.892 -21.356  -1.854
   63    HE   ARG   7           HE       ARG   7  -3.311 -19.700  -1.508
   64   1HH1  ARG   7          2HH1      ARG   7  -0.908 -21.929  -0.262
   65   2HH1  ARG   7          1HH1      ARG   7  -1.716 -22.131   1.273
   66   1HH2  ARG   7          2HH2      ARG   7  -4.342 -19.919   0.507
   67   2HH2  ARG   7          1HH2      ARG   7  -3.651 -20.963   1.720
   68    H    VAL   8           H        VAL   8  -4.018 -19.390  -5.854
   69    HA   VAL   8           HA       VAL   8  -4.517 -16.577  -5.193
   70    HB   VAL   8           HB       VAL   8  -6.509 -16.884  -6.770
   71   1HG1  VAL   8          1HG1      VAL   8  -5.264 -15.989  -8.427
   72   2HG1  VAL   8          2HG1      VAL   8  -4.012 -15.983  -7.183
   73   3HG1  VAL   8          3HG1      VAL   8  -4.066 -17.283  -8.375
   74   1HG2  VAL   8          1HG2      VAL   8  -6.174 -19.459  -6.675
   75   2HG2  VAL   8          2HG2      VAL   8  -6.629 -18.702  -8.204
   76   3HG2  VAL   8          3HG2      VAL   8  -4.954 -19.172  -7.915
   77    H    ALA   9           H        ALA   9  -6.492 -15.938  -4.233
   78    HA   ALA   9           HA       ALA   9  -7.702 -18.066  -2.591
   79   1HB   ALA   9          1HB       ALA   9  -8.460 -16.041  -1.200
   80   2HB   ALA   9          2HB       ALA   9  -6.760 -16.503  -1.139
   81   3HB   ALA   9          3HB       ALA   9  -7.266 -15.133  -2.130
   82    H    GLY  10           H        GLY  10  -8.283 -16.826  -5.392
   83   1HA   GLY  10          1HA       GLY  10 -10.585 -17.276  -6.257
   84   2HA   GLY  10          2HA       GLY  10 -11.141 -16.266  -4.927
   85    H    ASP  11           H        ASP  11 -10.949 -14.064  -5.043
   86    HA   ASP  11           HA       ASP  11 -10.873 -12.815  -7.552
   87   1HB   ASP  11          2HB       ASP  11 -11.994 -11.688  -5.781
   88   2HB   ASP  11          1HB       ASP  11 -10.579 -11.754  -4.739
   89    H    LEU  12           H        LEU  12  -8.565 -11.883  -5.046
   90    HA   LEU  12           HA       LEU  12  -6.406 -11.919  -6.996
   91   1HB   LEU  12          2HB       LEU  12  -6.708 -10.743  -4.237
   92   2HB   LEU  12          1HB       LEU  12  -5.185 -10.744  -5.108
   93    HG   LEU  12           HG       LEU  12  -7.706  -9.454  -6.139
   94   1HD1  LEU  12          1HD1      LEU  12  -5.332  -8.182  -4.800
   95   2HD1  LEU  12          2HD1      LEU  12  -6.736  -7.351  -5.474
   96   3HD1  LEU  12          3HD1      LEU  12  -6.925  -8.401  -4.070
   97   1HD2  LEU  12          1HD2      LEU  12  -4.825  -9.316  -6.999
   98   2HD2  LEU  12          2HD2      LEU  12  -6.157 -10.085  -7.870
   99   3HD2  LEU  12          3HD2      LEU  12  -6.139  -8.330  -7.662
  100    HA   PRO  13           HA       PRO  13  -4.218 -15.350  -5.095
  101   1HB   PRO  13          2HB       PRO  13  -1.893 -13.620  -4.498
  102   2HB   PRO  13          1HB       PRO  13  -1.982 -15.089  -5.474
  103   1HG   PRO  13          2HG       PRO  13  -1.705 -12.705  -6.627
  104   2HG   PRO  13          1HG       PRO  13  -2.738 -13.954  -7.351
  105   1HD   PRO  13          2HD       PRO  13  -3.521 -11.558  -5.725
  106   2HD   PRO  13          1HD       PRO  13  -4.261 -12.206  -7.202
  107    H    TYR  14           H        TYR  14  -2.771 -15.857  -3.100
  108    HA   TYR  14           HA       TYR  14  -4.482 -15.614  -0.922
  109   1HB   TYR  14          2HB       TYR  14  -3.258 -17.530  -0.837
  110   2HB   TYR  14          1HB       TYR  14  -1.810 -16.764  -1.465
  111    HD1  TYR  14           1HD      TYR  14  -3.705 -17.615   1.531
  112    HD2  TYR  14           2HD      TYR  14  -0.238 -15.668   0.034
  113    HE1  TYR  14           1HE      TYR  14  -2.739 -17.617   3.787
  114    HE2  TYR  14           2HE      TYR  14   0.741 -15.663   2.283
  115    HH   TYR  14           HH       TYR  14  -0.756 -15.913   4.951
  116    H    GLY  15           H        GLY  15  -1.525 -13.815  -1.641
  117   1HA   GLY  15          1HA       GLY  15  -1.613 -12.528   0.966
  118   2HA   GLY  15          2HA       GLY  15  -0.359 -12.344  -0.253
  119    H    TRP  16           H        TRP  16  -2.877 -11.866  -2.117
  120    HA   TRP  16           HA       TRP  16  -2.439  -9.000  -1.936
  121   1HB   TRP  16          2HB       TRP  16  -3.691 -10.717  -4.077
  122   2HB   TRP  16          1HB       TRP  16  -3.538  -8.962  -4.184
  123    HD1  TRP  16           HD       TRP  16  -1.424 -12.140  -4.162
  124    HE1  TRP  16           1HE      TRP  16   0.909 -11.624  -5.071
  125    HE3  TRP  16           3HE      TRP  16  -1.925  -7.096  -4.549
  126    HZ2  TRP  16           2HZ      TRP  16   2.354  -9.277  -5.861
  127    HZ3  TRP  16           3HZ      TRP  16  -0.032  -5.779  -5.379
  128    HH2  TRP  16           HH       TRP  16   2.067  -6.848  -6.023
  129    H    GLU  17           H        GLU  17  -3.871  -7.479  -1.567
  130    HA   GLU  17           HA       GLU  17  -6.686  -8.240  -1.162
  131   1HB   GLU  17          2HB       GLU  17  -4.824  -6.689   0.492
  132   2HB   GLU  17          1HB       GLU  17  -6.357  -5.877   0.205
  133   1HG   GLU  17          2HG       GLU  17  -7.207  -8.366   0.851
  134   2HG   GLU  17          1HG       GLU  17  -5.750  -8.233   1.835
  135    H    GLN  18           H        GLN  18  -8.148  -7.171  -2.380
  136    HA   GLN  18           HA       GLN  18  -7.221  -5.170  -4.245
  137   1HB   GLN  18          2HB       GLN  18  -8.833  -6.705  -5.113
  138   2HB   GLN  18          1HB       GLN  18  -9.920  -6.442  -3.759
  139   1HG   GLN  18          2HG       GLN  18 -10.744  -4.500  -4.618
  140   2HG   GLN  18          1HG       GLN  18  -9.246  -4.107  -5.456
  141   1HE2  GLN  18          1HE2      GLN  18  -9.657  -3.971  -7.538
  142   2HE2  GLN  18          2HE2      GLN  18 -10.589  -5.086  -8.475
  143    H    GLU  19           H        GLU  19  -6.815  -3.224  -3.428
  144    HA   GLU  19           HA       GLU  19  -8.790  -2.078  -1.561
  145   1HB   GLU  19          2HB       GLU  19  -6.005  -1.018  -1.790
  146   2HB   GLU  19          1HB       GLU  19  -7.108  -0.940  -0.430
  147   1HG   GLU  19          2HG       GLU  19  -6.417  -3.667  -1.064
  148   2HG   GLU  19          1HG       GLU  19  -4.984  -2.682  -0.773
  149    H    THR  20           H        THR  20  -8.984   0.270  -1.672
  150    HA   THR  20           HA       THR  20  -8.282   1.377  -4.302
  151    HB   THR  20           HB       THR  20 -10.855   2.035  -2.858
  152    HG1  THR  20           1HG      THR  20 -10.590  -0.213  -3.816
  153   1HG2  THR  20          1HG2      THR  20 -10.664   2.483  -5.730
  154   2HG2  THR  20          2HG2      THR  20  -9.451   3.380  -4.816
  155   3HG2  THR  20          3HG2      THR  20 -11.166   3.589  -4.447
  156    H    ASP  21           H        ASP  21  -7.507   3.453  -4.262
  157    HA   ASP  21           HA       ASP  21  -6.501   4.337  -1.757
  158   1HB   ASP  21          2HB       ASP  21  -5.073   5.602  -2.969
  159   2HB   ASP  21          1HB       ASP  21  -5.632   4.606  -4.299
  160    H    GLU  22           H        GLU  22  -6.601   6.881  -1.561
  161    HA   GLU  22           HA       GLU  22  -9.157   7.256  -0.373
  162   1HB   GLU  22          2HB       GLU  22  -7.760   9.746  -0.512
  163   2HB   GLU  22          1HB       GLU  22  -8.032   8.708   0.881
  164   1HG   GLU  22          2HG       GLU  22  -5.841   8.397   0.960
  165   2HG   GLU  22          1HG       GLU  22  -5.991   7.465  -0.529
  166    H    ASN  23           H        ASN  23  -7.924   8.013  -3.468
  167    HA   ASN  23           HA       ASN  23  -9.892  10.112  -3.944
  168   1HB   ASN  23          2HB       ASN  23  -7.698   8.982  -5.695
  169   2HB   ASN  23          1HB       ASN  23  -8.758  10.309  -6.152
  170   1HD2  ASN  23          1HD2      ASN  23  -6.093   9.312  -4.187
  171   2HD2  ASN  23          2HD2      ASN  23  -5.639  10.898  -3.644
  172    H    GLY  24           H        GLY  24  -9.005   6.897  -5.133
  173   1HA   GLY  24          1HA       GLY  24 -11.206   5.543  -5.297
  174   2HA   GLY  24          2HA       GLY  24 -11.602   6.738  -6.522
  175    H    GLN  25           H        GLN  25  -8.302   5.889  -6.313
  176    HA   GLN  25           HA       GLN  25  -8.457   4.400  -8.784
  177   1HB   GLN  25          2HB       GLN  25  -6.601   6.178  -7.673
  178   2HB   GLN  25          1HB       GLN  25  -5.817   4.607  -7.623
  179   1HG   GLN  25          2HG       GLN  25  -5.298   4.801  -9.757
  180   2HG   GLN  25          1HG       GLN  25  -7.010   4.865 -10.167
  181   1HE2  GLN  25          1HE2      GLN  25  -5.076   7.199  -8.342
  182   2HE2  GLN  25          2HE2      GLN  25  -5.308   8.516  -9.450
  183    H    VAL  26           H        VAL  26  -8.361   2.204  -8.852
  184    HA   VAL  26           HA       VAL  26  -8.149   0.802  -6.340
  185    HB   VAL  26           HB       VAL  26  -9.655   0.178  -8.395
  186   1HG1  VAL  26          1HG1      VAL  26  -7.734  -1.910  -9.046
  187   2HG1  VAL  26          2HG1      VAL  26  -8.764  -0.954 -10.112
  188   3HG1  VAL  26          3HG1      VAL  26  -7.217  -0.304  -9.559
  189   1HG2  VAL  26          1HG2      VAL  26  -8.408  -2.192  -7.124
  190   2HG2  VAL  26          2HG2      VAL  26  -9.165  -0.981  -6.084
  191   3HG2  VAL  26          3HG2      VAL  26 -10.113  -1.784  -7.336
  192    H    PHE  27           H        PHE  27  -6.724  -0.857  -5.895
  193    HA   PHE  27           HA       PHE  27  -4.433  -1.368  -7.516
  194   1HB   PHE  27          2HB       PHE  27  -2.719  -0.471  -6.052
  195   2HB   PHE  27          1HB       PHE  27  -3.797   0.833  -6.527
  196    HD1  PHE  27           1HD      PHE  27  -2.470  -1.120  -3.804
  197    HD2  PHE  27           2HD      PHE  27  -5.432   1.752  -4.869
  198    HE1  PHE  27           1HE      PHE  27  -2.793  -0.579  -1.438
  199    HE2  PHE  27           2HE      PHE  27  -5.759   2.296  -2.502
  200    HZ   PHE  27           HZ       PHE  27  -4.458   1.131  -0.787
  201    H    PHE  28           H        PHE  28  -3.014  -2.936  -6.522
  202    HA   PHE  28           HA       PHE  28  -4.472  -4.563  -4.545
  203   1HB   PHE  28          2HB       PHE  28  -2.570  -5.657  -6.603
  204   2HB   PHE  28          1HB       PHE  28  -3.809  -6.515  -5.693
  205    HD1  PHE  28           1HD      PHE  28  -6.278  -5.657  -6.134
  206    HD2  PHE  28           2HD      PHE  28  -3.002  -5.089  -8.787
  207    HE1  PHE  28           1HE      PHE  28  -7.840  -5.384  -8.002
  208    HE2  PHE  28           2HE      PHE  28  -4.568  -4.795 -10.660
  209    HZ   PHE  28           HZ       PHE  28  -6.992  -4.943 -10.271
  210    H    VAL  29           H        VAL  29  -3.324  -5.312  -2.812
  211    HA   VAL  29           HA       VAL  29  -0.439  -4.801  -2.840
  212    HB   VAL  29           HB       VAL  29  -0.844  -3.053  -1.493
  213   1HG1  VAL  29          1HG1      VAL  29  -3.437  -4.363  -0.754
  214   2HG1  VAL  29          2HG1      VAL  29  -2.862  -2.870  -0.008
  215   3HG1  VAL  29          3HG1      VAL  29  -3.172  -2.924  -1.744
  216   1HG2  VAL  29          1HG2      VAL  29  -1.312  -5.192   0.578
  217   2HG2  VAL  29          2HG2      VAL  29   0.272  -4.693  -0.027
  218   3HG2  VAL  29          3HG2      VAL  29  -0.730  -3.550   0.869
  219    H    ASP  30           H        ASP  30   0.665  -6.503  -2.436
  220    HA   ASP  30           HA       ASP  30  -0.359  -8.857  -1.160
  221   1HB   ASP  30          2HB       ASP  30   1.468  -8.871  -2.880
  222   2HB   ASP  30          1HB       ASP  30   2.515  -8.053  -1.723
  223    H    HIS  31           H        HIS  31  -0.833  -8.776   0.952
  224    HA   HIS  31           HA       HIS  31   0.440  -6.798   2.640
  225   1HB   HIS  31          2HB       HIS  31  -1.897  -8.634   2.917
  226   2HB   HIS  31          1HB       HIS  31  -1.145  -8.007   4.384
  227    HD1  HIS  31           1HD      HIS  31  -0.885  -5.243   4.340
  228    HD2  HIS  31           2HD      HIS  31  -3.764  -6.979   1.883
  229    HE1  HIS  31           1HE      HIS  31  -2.474  -3.384   3.731
  230    HE2  HIS  31           2HE      HIS  31  -4.214  -4.447   2.245
  231    H    ILE  32           H        ILE  32   1.357  -9.748   1.652
  232    HA   ILE  32           HA       ILE  32   2.571 -10.549   4.201
  233    HB   ILE  32           HB       ILE  32   3.029 -12.005   1.627
  234   1HG1  ILE  32          1HG1      ILE  32   0.532 -11.458   1.962
  235   2HG1  ILE  32          2HG1      ILE  32   1.000 -13.143   1.632
  236   1HG2  ILE  32          1HG2      ILE  32   3.891 -12.436   4.151
  237   2HG2  ILE  32          2HG2      ILE  32   2.459 -13.467   4.103
  238   3HG2  ILE  32          3HG2      ILE  32   3.745 -13.685   2.912
  239   1HD1  ILE  32          1HD1      ILE  32  -0.427 -12.044   3.876
  240   2HD1  ILE  32          2HD1      ILE  32  -0.159 -13.730   3.426
  241   3HD1  ILE  32          3HD1      ILE  32   1.026 -12.884   4.421
  242    H    ASN  33           H        ASN  33   3.461  -9.989   0.823
  243    HA   ASN  33           HA       ASN  33   6.275  -9.715   1.562
  244   1HB   ASN  33          2HB       ASN  33   4.905  -9.789  -1.137
  245   2HB   ASN  33          1HB       ASN  33   6.643  -9.699  -0.895
  246   1HD2  ASN  33          1HD2      ASN  33   4.027 -11.723  -1.292
  247   2HD2  ASN  33          2HD2      ASN  33   4.801 -13.198  -0.824
  248    H    LYS  34           H        LYS  34   3.684  -7.718   1.386
  249    HA   LYS  34           HA       LYS  34   3.393  -5.479   1.455
  250   1HB   LYS  34          2HB       LYS  34   6.377  -5.196   1.744
  251   2HB   LYS  34          1HB       LYS  34   5.129  -4.110   2.328
  252   1HG   LYS  34          2HG       LYS  34   5.684  -6.885   3.358
  253   2HG   LYS  34          1HG       LYS  34   6.130  -5.371   4.147
  254   1HD   LYS  34          2HD       LYS  34   3.709  -4.787   4.242
  255   2HD   LYS  34          1HD       LYS  34   3.343  -6.394   3.609
  256   1HE   LYS  34          2HE       LYS  34   4.771  -5.763   6.190
  257   2HE   LYS  34          1HE       LYS  34   3.120  -6.354   6.026
  258   1HZ   LYS  34          1HZ       LYS  34   5.470  -7.846   6.207
  259   2HZ   LYS  34          2HZ       LYS  34   4.843  -8.100   4.656
  260   3HZ   LYS  34          3HZ       LYS  34   3.885  -8.416   6.019
  261    H    ARG  35           H        ARG  35   3.075  -6.128  -0.985
  262    HA   ARG  35           HA       ARG  35   4.624  -4.130  -2.499
  263   1HB   ARG  35          2HB       ARG  35   3.336  -6.209  -4.118
  264   2HB   ARG  35          1HB       ARG  35   4.918  -5.476  -4.287
  265   1HG   ARG  35          2HG       ARG  35   4.615  -7.304  -2.003
  266   2HG   ARG  35          1HG       ARG  35   4.508  -8.045  -3.601
  267   1HD   ARG  35          2HD       ARG  35   6.806  -8.043  -2.736
  268   2HD   ARG  35          1HD       ARG  35   6.655  -7.095  -4.216
  269    HE   ARG  35           HE       ARG  35   6.556  -5.737  -1.612
  270   1HH1  ARG  35          2HH1      ARG  35   8.231  -6.347  -4.640
  271   2HH1  ARG  35          1HH1      ARG  35   9.270  -4.959  -4.474
  272   1HH2  ARG  35          2HH2      ARG  35   7.926  -3.923  -1.409
  273   2HH2  ARG  35          1HH2      ARG  35   9.114  -3.602  -2.633
  274    H    THR  36           H        THR  36   3.401  -2.463  -2.982
  275    HA   THR  36           HA       THR  36   0.506  -2.821  -3.394
  276    HB   THR  36           HB       THR  36   1.017  -0.109  -3.501
  277    HG1  THR  36           1HG      THR  36   2.224  -0.132  -1.249
  278   1HG2  THR  36          1HG2      THR  36   0.307  -0.402  -0.933
  279   2HG2  THR  36          2HG2      THR  36  -0.073  -2.016  -1.533
  280   3HG2  THR  36          3HG2      THR  36  -0.821  -0.600  -2.276
  281    H    THR  37           H        THR  37  -0.050  -3.051  -5.488
  282    HA   THR  37           HA       THR  37   1.418  -1.467  -7.490
  283    HB   THR  37           HB       THR  37   2.161  -3.711  -7.851
  284    HG1  THR  37           1HG      THR  37   0.277  -3.855  -9.834
  285   1HG2  THR  37          1HG2      THR  37  -0.276  -5.057  -8.536
  286   2HG2  THR  37          2HG2      THR  37  -0.372  -4.447  -6.883
  287   3HG2  THR  37          3HG2      THR  37   0.954  -5.513  -7.355
  288    H    TYR  38           H        TYR  38   0.216  -0.274  -8.809
  289    HA   TYR  38           HA       TYR  38  -2.653  -0.296  -8.464
  290   1HB   TYR  38          2HB       TYR  38  -0.685   1.509  -9.815
  291   2HB   TYR  38          1HB       TYR  38  -2.385   1.612 -10.261
  292    HD1  TYR  38           1HD      TYR  38  -3.916   2.771  -8.901
  293    HD2  TYR  38           2HD      TYR  38  -0.059   1.823  -7.374
  294    HE1  TYR  38           1HE      TYR  38  -4.348   4.185  -6.939
  295    HE2  TYR  38           2HE      TYR  38  -0.487   3.235  -5.406
  296    HH   TYR  38           HH       TYR  38  -2.243   5.434  -5.073
  297    H    LEU  39           H        LEU  39  -0.538  -1.971 -10.373
  298    HA   LEU  39           HA       LEU  39  -2.608  -2.405 -12.421
  299   1HB   LEU  39          2HB       LEU  39  -0.114  -1.623 -12.970
  300   2HB   LEU  39          1HB       LEU  39   0.148  -3.354 -12.920
  301    HG   LEU  39           HG       LEU  39  -0.769  -3.645 -14.946
  302   1HD1  LEU  39          1HD1      LEU  39  -2.948  -3.011 -15.571
  303   2HD1  LEU  39          2HD1      LEU  39  -3.043  -3.278 -13.832
  304   3HD1  LEU  39          3HD1      LEU  39  -2.954  -1.637 -14.467
  305   1HD2  LEU  39          1HD2      LEU  39   0.561  -1.683 -15.362
  306   2HD2  LEU  39          2HD2      LEU  39  -0.893  -1.657 -16.360
  307   3HD2  LEU  39          3HD2      LEU  39  -0.798  -0.651 -14.918
  308    H    ASP  40           H        ASP  40  -2.295  -4.704 -13.404
  309    HA   ASP  40           HA       ASP  40  -2.954  -6.477 -11.227
  310   1HB   ASP  40          2HB       ASP  40  -4.313  -6.455 -13.263
  311   2HB   ASP  40          1HB       ASP  40  -2.912  -6.932 -14.214
  312    HA   PRO  41           HA       PRO  41   1.120  -8.358 -11.352
  313   1HB   PRO  41          2HB       PRO  41   1.105  -9.319  -8.883
  314   2HB   PRO  41          1HB       PRO  41   1.159  -7.576  -9.163
  315   1HG   PRO  41          2HG       PRO  41  -1.120  -9.275  -8.286
  316   2HG   PRO  41          1HG       PRO  41  -0.729  -7.603  -7.851
  317   1HD   PRO  41          2HD       PRO  41  -2.583  -8.467  -9.820
  318   2HD   PRO  41          1HD       PRO  41  -2.026  -6.807  -9.529
  319    H    ARG  42           H        ARG  42  -1.768  -9.776 -11.798
  320    HA   ARG  42           HA       ARG  42  -0.994 -12.499 -11.074
  321   1HB   ARG  42          2HB       ARG  42  -3.305 -11.500 -10.633
  322   2HB   ARG  42          1HB       ARG  42  -3.575 -11.622 -12.366
  323   1HG   ARG  42          2HG       ARG  42  -2.765 -14.133 -11.832
  324   2HG   ARG  42          1HG       ARG  42  -3.536 -13.715 -10.300
  325   1HD   ARG  42          2HD       ARG  42  -5.357 -12.773 -12.070
  326   2HD   ARG  42          1HD       ARG  42  -4.712 -14.149 -12.965
  327    HE   ARG  42           HE       ARG  42  -5.527 -15.596 -11.294
  328   1HH1  ARG  42          2HH1      ARG  42  -6.360 -12.238 -10.715
  329   2HH1  ARG  42          1HH1      ARG  42  -7.539 -12.621  -9.488
  330   1HH2  ARG  42          2HH2      ARG  42  -7.097 -16.093  -9.714
  331   2HH2  ARG  42          1HH2      ARG  42  -7.972 -14.809  -8.935
  332    H    LEU  43           H        LEU  43  -0.951 -10.389 -13.719
  333    HA   LEU  43           HA       LEU  43  -1.202 -12.254 -15.836
  334   1HB   LEU  43          2HB       LEU  43   0.113  -9.545 -15.700
  335   2HB   LEU  43          1HB       LEU  43  -0.055 -10.466 -17.183
  336    HG   LEU  43           HG       LEU  43  -2.492  -9.838 -15.565
  337   1HD1  LEU  43          1HD1      LEU  43  -2.740  -7.755 -16.900
  338   2HD1  LEU  43          2HD1      LEU  43  -1.433  -7.696 -15.718
  339   3HD1  LEU  43          3HD1      LEU  43  -1.065  -7.943 -17.423
  340   1HD2  LEU  43          1HD2      LEU  43  -1.852 -10.410 -18.440
  341   2HD2  LEU  43          2HD2      LEU  43  -2.926 -11.282 -17.352
  342   3HD2  LEU  43          3HD2      LEU  43  -3.388  -9.690 -17.955
  343    H    ALA  44           H        ALA  44   1.795 -10.429 -15.551
  344    HA   ALA  44           HA       ALA  44   3.222 -12.941 -16.072
  345   1HB   ALA  44          1HB       ALA  44   4.926 -11.601 -17.156
  346   2HB   ALA  44          2HB       ALA  44   3.338 -11.230 -17.832
  347   3HB   ALA  44          3HB       ALA  44   4.089 -10.121 -16.681
  348    H    PHE  45           H        PHE  45   2.590 -11.153 -13.493
  349    HA   PHE  45           HA       PHE  45   5.321 -10.835 -12.516
  350   1HB   PHE  45          2HB       PHE  45   2.668  -9.995 -11.342
  351   2HB   PHE  45          1HB       PHE  45   4.222  -9.722 -10.560
  352    HD1  PHE  45           1HD      PHE  45   5.756  -8.059 -11.388
  353    HD2  PHE  45           2HD      PHE  45   2.031  -8.757 -13.325
  354    HE1  PHE  45           1HE      PHE  45   6.013  -5.952 -12.632
  355    HE2  PHE  45           2HE      PHE  45   2.280  -6.653 -14.575
  356    HZ   PHE  45           HZ       PHE  45   4.274  -5.245 -14.230
  357    H    THR  46           H        THR  46   3.679 -13.444 -12.795
  358    HA   THR  46           HA       THR  46   4.028 -14.368 -10.024
  359    HB   THR  46           HB       THR  46   2.702 -16.253 -11.802
  360    HG1  THR  46           1HG      THR  46   1.608 -13.639 -11.482
  361   1HG2  THR  46          1HG2      THR  46   1.103 -15.129  -9.665
  362   2HG2  THR  46          2HG2      THR  46   2.717 -15.567  -9.102
  363   3HG2  THR  46          3HG2      THR  46   1.693 -16.776  -9.879
  364    H    VAL  47           H        VAL  47   5.496 -14.453 -13.044
  365    HA   VAL  47           HA       VAL  47   7.009 -16.860 -12.330
  366    HB   VAL  47           HB       VAL  47   7.000 -17.112 -15.026
  367   1HG1  VAL  47          1HG1      VAL  47   5.533 -19.004 -14.707
  368   2HG1  VAL  47          2HG1      VAL  47   6.622 -18.863 -13.327
  369   3HG1  VAL  47          3HG1      VAL  47   4.945 -18.332 -13.186
  370   1HG2  VAL  47          1HG2      VAL  47   4.104 -16.634 -14.549
  371   2HG2  VAL  47          2HG2      VAL  47   5.134 -15.240 -14.876
  372   3HG2  VAL  47          3HG2      VAL  47   5.033 -16.555 -16.045
  373    H    ASP  48           H        ASP  48   8.251 -16.666 -15.055
  374    HA   ASP  48           HA       ASP  48  10.357 -14.820 -14.301
  375   1HB   ASP  48          2HB       ASP  48  10.410 -17.278 -15.450
  376   2HB   ASP  48          1HB       ASP  48  10.523 -16.256 -16.879
  377    H    ASP  49           H        ASP  49  11.362 -14.132 -16.777
  378    HA   ASP  49           HA       ASP  49   9.671 -11.934 -17.499
  379   1HB   ASP  49          2HB       ASP  49  12.060 -11.599 -17.530
  380   2HB   ASP  49          1HB       ASP  49  12.282 -12.947 -18.637
  381    H    ASN  50           H        ASN  50   8.056 -12.017 -18.893
  382    HA   ASN  50           HA       ASN  50   7.665 -14.299 -20.602
  383   1HB   ASN  50          2HB       ASN  50   5.532 -13.672 -20.278
  384   2HB   ASN  50          1HB       ASN  50   6.056 -12.166 -19.536
  385   1HD2  ASN  50          1HD2      ASN  50   4.886 -13.692 -22.405
  386   2HD2  ASN  50          2HD2      ASN  50   4.617 -12.245 -23.323
  387    HA   PRO  51           HA       PRO  51   9.728 -12.287 -23.997
  388   1HB   PRO  51          2HB       PRO  51  10.031 -14.600 -25.432
  389   2HB   PRO  51          1HB       PRO  51  11.051 -14.141 -24.070
  390   1HG   PRO  51          2HG       PRO  51   9.147 -16.303 -24.240
  391   2HG   PRO  51          1HG       PRO  51  10.259 -15.917 -22.919
  392   1HD   PRO  51          2HD       PRO  51   7.392 -15.293 -23.198
  393   2HD   PRO  51          1HD       PRO  51   8.401 -15.348 -21.737
  394    H    THR  52           H        THR  52   7.800 -11.098 -24.699
  395    HA   THR  52           HA       THR  52   6.748 -12.300 -27.183
  396    HB   THR  52           HB       THR  52   5.164 -10.047 -26.472
  397    HG1  THR  52           1HG      THR  52   5.918 -10.510 -24.301
  398   1HG2  THR  52          1HG2      THR  52   3.774 -12.471 -25.965
  399   2HG2  THR  52          2HG2      THR  52   4.865 -12.745 -27.324
  400   3HG2  THR  52          3HG2      THR  52   3.684 -11.435 -27.388
  401    H    LYS  53           H        LYS  53   9.150 -10.621 -26.324
  402    HA   LYS  53           HA       LYS  53   8.800  -8.336 -28.134
  403   1HB   LYS  53          2HB       LYS  53  10.727  -8.884 -25.880
  404   2HB   LYS  53          1HB       LYS  53  10.997  -7.595 -27.045
  405   1HG   LYS  53          2HG       LYS  53   9.525  -6.249 -26.058
  406   2HG   LYS  53          1HG       LYS  53   8.327  -7.533 -25.894
  407   1HD   LYS  53          2HD       LYS  53   9.016  -6.703 -23.706
  408   2HD   LYS  53          1HD       LYS  53   9.514  -8.380 -23.922
  409   1HE   LYS  53          2HE       LYS  53  11.685  -7.009 -24.862
  410   2HE   LYS  53          1HE       LYS  53  11.124  -5.960 -23.560
  411   1HZ   LYS  53          1HZ       LYS  53  11.359  -7.669 -21.995
  412   2HZ   LYS  53          2HZ       LYS  53  12.769  -7.746 -22.934
  413   3HZ   LYS  53          3HZ       LYS  53  11.524  -8.869 -23.181
  414    HA   PRO  54           HA       PRO  54  11.636 -10.294 -30.940
  415   1HB   PRO  54          2HB       PRO  54  12.270  -8.199 -32.495
  416   2HB   PRO  54          1HB       PRO  54  10.651  -8.905 -32.504
  417   1HG   PRO  54          2HG       PRO  54  11.629  -6.422 -31.166
  418   2HG   PRO  54          1HG       PRO  54  10.089  -6.718 -31.991
  419   1HD   PRO  54          2HD       PRO  54  10.460  -6.782 -29.249
  420   2HD   PRO  54          1HD       PRO  54   9.126  -7.577 -30.107
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -27.171 -10.374 -11.866
    2   2H    GLY   1          2H        GLY   1 -27.497 -11.497 -10.637
    3   3H    GLY   1          3H        GLY   1 -27.078 -12.035 -12.189
    4   1HA   GLY   1          2HA       GLY   1 -24.892 -11.770 -11.866
    5   2HA   GLY   1          1HA       GLY   1 -25.138 -10.283 -10.967
    6    H    SER   2           H        SER   2 -23.258 -12.005 -10.061
    7    HA   SER   2           HA       SER   2 -24.376 -13.801  -8.100
    8   1HB   SER   2          2HB       SER   2 -21.504 -12.979  -8.013
    9   2HB   SER   2          1HB       SER   2 -22.227 -14.573  -7.798
   10    HG   SER   2           HG       SER   2 -21.302 -14.678  -9.762
   11    H    ALA   3           H        ALA   3 -25.668 -12.018  -7.100
   12    HA   ALA   3           HA       ALA   3 -24.295 -10.078  -5.489
   13   1HB   ALA   3          1HB       ALA   3 -26.515  -9.583  -6.347
   14   2HB   ALA   3          2HB       ALA   3 -27.184 -10.967  -5.478
   15   3HB   ALA   3          3HB       ALA   3 -26.540  -9.593  -4.583
   16    H    LYS   4           H        LYS   4 -25.705 -13.249  -5.004
   17    HA   LYS   4           HA       LYS   4 -25.263 -13.204  -2.148
   18   1HB   LYS   4          2HB       LYS   4 -25.769 -15.842  -2.904
   19   2HB   LYS   4          1HB       LYS   4 -26.937 -14.691  -2.274
   20   1HG   LYS   4          2HG       LYS   4 -27.725 -14.143  -4.406
   21   2HG   LYS   4          1HG       LYS   4 -26.314 -14.838  -5.205
   22   1HD   LYS   4          2HD       LYS   4 -27.361 -16.964  -3.804
   23   2HD   LYS   4          1HD       LYS   4 -28.798 -16.096  -4.357
   24   1HE   LYS   4          1HE       LYS   4 -26.728 -16.346  -6.415
   25   2HE   LYS   4          2HE       LYS   4 -27.336 -17.912  -5.836
   26   1HZ   LYS   4          1HZ       LYS   4 -29.235 -17.614  -6.917
   27   2HZ   LYS   4          2HZ       LYS   4 -28.528 -16.275  -7.687
   28   3HZ   LYS   4          3HZ       LYS   4 -29.463 -16.053  -6.289
   29    H    ARG   5           H        ARG   5 -22.947 -12.711  -2.469
   30    HA   ARG   5           HA       ARG   5 -21.256 -14.787  -3.540
   31   1HB   ARG   5          2HB       ARG   5 -20.968 -12.093  -3.300
   32   2HB   ARG   5          1HB       ARG   5 -20.021 -12.646  -1.929
   33   1HG   ARG   5          2HG       ARG   5 -18.449 -13.666  -3.245
   34   2HG   ARG   5          1HG       ARG   5 -19.574 -13.920  -4.581
   35   1HD   ARG   5          2HD       ARG   5 -18.254 -11.339  -3.750
   36   2HD   ARG   5          1HD       ARG   5 -18.019 -12.236  -5.251
   37    HE   ARG   5           HE       ARG   5 -20.218 -11.576  -5.933
   38   1HH1  ARG   5          2HH1      ARG   5 -18.954  -9.915  -3.116
   39   2HH1  ARG   5          1HH1      ARG   5 -20.112  -8.621  -3.205
   40   1HH2  ARG   5          2HH2      ARG   5 -21.762  -9.917  -6.024
   41   2HH2  ARG   5          1HH2      ARG   5 -21.750  -8.645  -4.838
   42    H    LYS   6           H        LYS   6 -20.258 -16.352  -2.465
   43    HA   LYS   6           HA       LYS   6 -20.620 -16.665   0.374
   44   1HB   LYS   6          2HB       LYS   6 -19.009 -18.292  -1.610
   45   2HB   LYS   6          1HB       LYS   6 -19.321 -18.749   0.059
   46   1HG   LYS   6          2HG       LYS   6 -21.753 -18.156  -1.416
   47   2HG   LYS   6          1HG       LYS   6 -20.817 -19.468  -2.130
   48   1HD   LYS   6          2HD       LYS   6 -21.262 -20.869  -0.432
   49   2HD   LYS   6          1HD       LYS   6 -21.029 -19.615   0.790
   50   1HE   LYS   6          1HE       LYS   6 -23.507 -20.317  -0.768
   51   2HE   LYS   6          2HE       LYS   6 -23.291 -20.190   0.993
   52   1HZ   LYS   6          1HZ       LYS   6 -24.430 -18.271   0.449
   53   2HZ   LYS   6          2HZ       LYS   6 -23.583 -18.030  -1.001
   54   3HZ   LYS   6          3HZ       LYS   6 -22.825 -17.725   0.491
   55    H    ARG   7           H        ARG   7 -18.404 -17.516   1.495
   56    HA   ARG   7           HA       ARG   7 -16.772 -15.187   1.678
   57   1HB   ARG   7          2HB       ARG   7 -15.385 -16.590   3.246
   58   2HB   ARG   7          1HB       ARG   7 -17.074 -16.417   3.689
   59   1HG   ARG   7          2HG       ARG   7 -17.425 -18.617   3.597
   60   2HG   ARG   7          1HG       ARG   7 -16.580 -18.772   2.054
   61   1HD   ARG   7          2HD       ARG   7 -14.819 -18.209   4.317
   62   2HD   ARG   7          1HD       ARG   7 -15.696 -19.732   4.460
   63    HE   ARG   7           HE       ARG   7 -14.671 -19.669   1.895
   64   1HH1  ARG   7          2HH1      ARG   7 -13.363 -19.556   5.145
   65   2HH1  ARG   7          1HH1      ARG   7 -11.892 -20.381   4.709
   66   1HH2  ARG   7          2HH2      ARG   7 -12.758 -20.777   1.332
   67   2HH2  ARG   7          1HH2      ARG   7 -11.566 -21.106   2.562
   68    H    VAL   8           H        VAL   8 -15.912 -14.869  -0.372
   69    HA   VAL   8           HA       VAL   8 -13.814 -16.777  -1.168
   70    HB   VAL   8           HB       VAL   8 -13.848 -15.457  -3.353
   71   1HG1  VAL   8          1HG1      VAL   8 -16.315 -16.569  -3.762
   72   2HG1  VAL   8          2HG1      VAL   8 -14.776 -17.430  -3.836
   73   3HG1  VAL   8          3HG1      VAL   8 -15.726 -17.447  -2.350
   74   1HG2  VAL   8          1HG2      VAL   8 -15.496 -13.956  -3.841
   75   2HG2  VAL   8          2HG2      VAL   8 -16.640 -14.669  -2.705
   76   3HG2  VAL   8          3HG2      VAL   8 -15.330 -13.647  -2.113
   77    H    ALA   9           H        ALA   9 -14.349 -13.822   0.308
   78    HA   ALA   9           HA       ALA   9 -13.035 -12.132   1.035
   79   1HB   ALA   9          1HB       ALA   9 -11.172 -14.303   0.608
   80   2HB   ALA   9          2HB       ALA   9 -10.417 -12.731   0.341
   81   3HB   ALA   9          3HB       ALA   9 -11.210 -13.078   1.879
   82    H    GLY  10           H        GLY  10 -11.156 -13.168  -1.806
   83   1HA   GLY  10          1HA       GLY  10 -12.028 -10.849  -3.307
   84   2HA   GLY  10          2HA       GLY  10 -10.345 -10.814  -2.802
   85    H    ASP  11           H        ASP  11 -10.737 -10.720  -5.418
   86    HA   ASP  11           HA       ASP  11 -10.754 -13.392  -6.566
   87   1HB   ASP  11          2HB       ASP  11 -11.582 -11.004  -7.514
   88   2HB   ASP  11          1HB       ASP  11  -9.975 -11.070  -8.224
   89    H    LEU  12           H        LEU  12  -8.540 -11.535  -5.049
   90    HA   LEU  12           HA       LEU  12  -6.246 -12.113  -6.721
   91   1HB   LEU  12          2HB       LEU  12  -6.469 -10.794  -4.014
   92   2HB   LEU  12          1HB       LEU  12  -5.007 -10.883  -4.976
   93    HG   LEU  12           HG       LEU  12  -7.505  -9.518  -5.952
   94   1HD1  LEU  12          1HD1      LEU  12  -6.326  -8.672  -3.745
   95   2HD1  LEU  12          2HD1      LEU  12  -5.192  -7.980  -4.904
   96   3HD1  LEU  12          3HD1      LEU  12  -6.899  -7.551  -4.977
   97   1HD2  LEU  12          1HD2      LEU  12  -5.813  -8.346  -7.378
   98   2HD2  LEU  12          2HD2      LEU  12  -4.612  -9.499  -6.784
   99   3HD2  LEU  12          3HD2      LEU  12  -5.999 -10.072  -7.711
  100    HA   PRO  13           HA       PRO  13  -4.525 -15.612  -4.431
  101   1HB   PRO  13          2HB       PRO  13  -2.140 -13.899  -3.929
  102   2HB   PRO  13          1HB       PRO  13  -2.231 -15.508  -4.649
  103   1HG   PRO  13          2HG       PRO  13  -1.778 -13.392  -6.174
  104   2HG   PRO  13          1HG       PRO  13  -2.861 -14.680  -6.734
  105   1HD   PRO  13          2HD       PRO  13  -3.534 -11.996  -5.596
  106   2HD   PRO  13          1HD       PRO  13  -4.285 -12.864  -6.950
  107    H    TYR  14           H        TYR  14  -3.370 -16.063  -2.277
  108    HA   TYR  14           HA       TYR  14  -5.045 -15.154  -0.228
  109   1HB   TYR  14          2HB       TYR  14  -4.256 -17.205   0.325
  110   2HB   TYR  14          1HB       TYR  14  -2.713 -16.938  -0.475
  111    HD1  TYR  14           1HD      TYR  14  -4.601 -16.303   2.645
  112    HD2  TYR  14           2HD      TYR  14  -0.797 -16.287   0.745
  113    HE1  TYR  14           1HE      TYR  14  -3.515 -15.999   4.829
  114    HE2  TYR  14           2HE      TYR  14   0.298 -15.989   2.918
  115    HH   TYR  14           HH       TYR  14  -1.558 -15.974   5.935
  116    H    GLY  15           H        GLY  15  -1.735 -14.194  -1.073
  117   1HA   GLY  15          1HA       GLY  15  -1.387 -12.597   1.288
  118   2HA   GLY  15          2HA       GLY  15  -0.340 -12.624  -0.127
  119    H    TRP  16           H        TRP  16  -2.679 -12.042  -1.872
  120    HA   TRP  16           HA       TRP  16  -2.275  -9.186  -1.773
  121   1HB   TRP  16          2HB       TRP  16  -3.632 -10.987  -3.776
  122   2HB   TRP  16          1HB       TRP  16  -3.489  -9.243  -3.967
  123    HD1  TRP  16           HD       TRP  16  -1.400 -12.437  -4.035
  124    HE1  TRP  16           1HE      TRP  16   0.861 -11.921  -5.118
  125    HE3  TRP  16           3HE      TRP  16  -1.841  -7.379  -4.348
  126    HZ2  TRP  16           2HZ      TRP  16   2.286  -9.614  -6.012
  127    HZ3  TRP  16           3HZ      TRP  16  -0.004  -6.081  -5.317
  128    HH2  TRP  16           HH       TRP  16   2.026  -7.178  -6.127
  129    H    GLU  17           H        GLU  17  -3.675  -7.683  -1.203
  130    HA   GLU  17           HA       GLU  17  -6.497  -8.450  -0.843
  131   1HB   GLU  17          2HB       GLU  17  -4.662  -6.785   0.824
  132   2HB   GLU  17          1HB       GLU  17  -6.355  -6.300   0.728
  133   1HG   GLU  17          2HG       GLU  17  -6.965  -8.632   1.398
  134   2HG   GLU  17          1HG       GLU  17  -5.254  -8.919   1.702
  135    H    GLN  18           H        GLN  18  -8.047  -7.046  -1.633
  136    HA   GLN  18           HA       GLN  18  -7.063  -5.229  -3.696
  137   1HB   GLN  18          2HB       GLN  18  -8.642  -6.815  -4.518
  138   2HB   GLN  18          1HB       GLN  18  -9.749  -6.509  -3.186
  139   1HG   GLN  18          2HG       GLN  18 -10.608  -4.655  -4.150
  140   2HG   GLN  18          1HG       GLN  18  -9.085  -4.216  -4.922
  141   1HE2  GLN  18          1HE2      GLN  18 -11.569  -4.114  -6.180
  142   2HE2  GLN  18          2HE2      GLN  18 -11.569  -5.271  -7.473
  143    H    GLU  19           H        GLU  19  -6.714  -3.234  -2.992
  144    HA   GLU  19           HA       GLU  19  -8.664  -2.033  -1.134
  145   1HB   GLU  19          2HB       GLU  19  -5.887  -0.980  -1.503
  146   2HB   GLU  19          1HB       GLU  19  -6.959  -0.799  -0.125
  147   1HG   GLU  19          2HG       GLU  19  -6.482  -3.544  -0.363
  148   2HG   GLU  19          1HG       GLU  19  -4.929  -2.753  -0.629
  149    H    THR  20           H        THR  20  -8.783   0.374  -1.342
  150    HA   THR  20           HA       THR  20  -8.401   1.229  -4.131
  151    HB   THR  20           HB       THR  20 -10.648   2.246  -2.401
  152    HG1  THR  20           1HG      THR  20 -10.412  -0.188  -3.570
  153   1HG2  THR  20          1HG2      THR  20 -11.053   2.182  -5.260
  154   2HG2  THR  20          2HG2      THR  20  -9.566   3.043  -4.847
  155   3HG2  THR  20          3HG2      THR  20 -11.107   3.557  -4.152
  156    H    ASP  21           H        ASP  21  -7.460   3.173  -4.424
  157    HA   ASP  21           HA       ASP  21  -6.245   4.408  -2.133
  158   1HB   ASP  21          2HB       ASP  21  -4.731   5.252  -3.588
  159   2HB   ASP  21          1HB       ASP  21  -5.419   4.089  -4.703
  160    H    GLU  22           H        GLU  22  -6.161   6.920  -2.392
  161    HA   GLU  22           HA       GLU  22  -8.689   7.795  -1.468
  162   1HB   GLU  22          2HB       GLU  22  -7.534  10.121  -1.680
  163   2HB   GLU  22          1HB       GLU  22  -6.947   8.961  -0.498
  164   1HG   GLU  22          2HG       GLU  22  -5.071   8.418  -1.809
  165   2HG   GLU  22          1HG       GLU  22  -5.742   9.219  -3.232
  166    H    ASN  23           H        ASN  23  -7.044   8.106  -4.563
  167    HA   ASN  23           HA       ASN  23  -8.827  10.003  -5.710
  168   1HB   ASN  23          2HB       ASN  23  -6.979   7.946  -6.935
  169   2HB   ASN  23          1HB       ASN  23  -7.941   9.053  -7.905
  170   1HD2  ASN  23          1HD2      ASN  23  -5.194   8.660  -5.891
  171   2HD2  ASN  23          2HD2      ASN  23  -4.521  10.242  -6.145
  172    H    GLY  24           H        GLY  24  -8.746   6.511  -5.521
  173   1HA   GLY  24          1HA       GLY  24 -10.930   5.393  -5.349
  174   2HA   GLY  24          2HA       GLY  24 -11.476   6.433  -6.655
  175    H    GLN  25           H        GLN  25  -8.268   5.404  -6.987
  176    HA   GLN  25           HA       GLN  25  -8.998   3.526  -9.052
  177   1HB   GLN  25          2HB       GLN  25  -6.171   4.003  -8.193
  178   2HB   GLN  25          1HB       GLN  25  -6.790   3.617  -9.791
  179   1HG   GLN  25          2HG       GLN  25  -7.294   5.785 -10.275
  180   2HG   GLN  25          1HG       GLN  25  -7.542   6.219  -8.581
  181   1HE2  GLN  25          1HE2      GLN  25  -5.676   6.479  -7.238
  182   2HE2  GLN  25          2HE2      GLN  25  -4.167   6.978  -7.941
  183    H    VAL  26           H        VAL  26  -8.743   1.325  -8.885
  184    HA   VAL  26           HA       VAL  26  -8.323   0.358  -6.194
  185    HB   VAL  26           HB       VAL  26 -10.104  -0.536  -7.801
  186   1HG1  VAL  26          1HG1      VAL  26  -9.460  -1.521  -9.684
  187   2HG1  VAL  26          2HG1      VAL  26  -7.768  -1.305  -9.233
  188   3HG1  VAL  26          3HG1      VAL  26  -8.636  -2.752  -8.722
  189   1HG2  VAL  26          1HG2      VAL  26  -9.048  -1.492  -5.566
  190   2HG2  VAL  26          2HG2      VAL  26 -10.304  -2.345  -6.466
  191   3HG2  VAL  26          3HG2      VAL  26  -8.615  -2.804  -6.661
  192    H    PHE  27           H        PHE  27  -6.777  -1.044  -5.576
  193    HA   PHE  27           HA       PHE  27  -4.602  -1.673  -7.383
  194   1HB   PHE  27          2HB       PHE  27  -2.863  -0.660  -6.038
  195   2HB   PHE  27          1HB       PHE  27  -4.023   0.574  -6.491
  196    HD1  PHE  27           1HD      PHE  27  -2.505  -1.266  -3.766
  197    HD2  PHE  27           2HD      PHE  27  -5.560   1.500  -4.820
  198    HE1  PHE  27           1HE      PHE  27  -2.744  -0.642  -1.405
  199    HE2  PHE  27           2HE      PHE  27  -5.805   2.139  -2.463
  200    HZ   PHE  27           HZ       PHE  27  -4.418   1.065  -0.755
  201    H    PHE  28           H        PHE  28  -3.113  -3.177  -6.469
  202    HA   PHE  28           HA       PHE  28  -4.466  -4.858  -4.469
  203   1HB   PHE  28          2HB       PHE  28  -2.617  -5.851  -6.638
  204   2HB   PHE  28          1HB       PHE  28  -3.756  -6.780  -5.666
  205    HD1  PHE  28           1HD      PHE  28  -6.263  -6.078  -5.920
  206    HD2  PHE  28           2HD      PHE  28  -3.229  -5.214  -8.768
  207    HE1  PHE  28           1HE      PHE  28  -7.977  -5.815  -7.649
  208    HE2  PHE  28           2HE      PHE  28  -4.937  -4.936 -10.514
  209    HZ   PHE  28           HZ       PHE  28  -7.321  -5.236  -9.956
  210    H    VAL  29           H        VAL  29  -3.325  -5.464  -2.723
  211    HA   VAL  29           HA       VAL  29  -0.429  -4.999  -2.784
  212    HB   VAL  29           HB       VAL  29  -0.874  -3.166  -1.531
  213   1HG1  VAL  29          1HG1      VAL  29  -2.843  -2.970   0.006
  214   2HG1  VAL  29          2HG1      VAL  29  -3.226  -3.169  -1.705
  215   3HG1  VAL  29          3HG1      VAL  29  -3.381  -4.540  -0.604
  216   1HG2  VAL  29          1HG2      VAL  29   0.065  -5.189  -0.026
  217   2HG2  VAL  29          2HG2      VAL  29  -0.155  -3.547   0.582
  218   3HG2  VAL  29          3HG2      VAL  29  -1.385  -4.778   0.895
  219    H    ASP  30           H        ASP  30   0.584  -6.796  -2.382
  220    HA   ASP  30           HA       ASP  30  -0.598  -8.963  -0.887
  221   1HB   ASP  30          2HB       ASP  30   0.878  -9.697  -2.577
  222   2HB   ASP  30          1HB       ASP  30   2.089  -8.478  -2.167
  223    H    HIS  31           H        HIS  31  -0.725  -8.889   1.255
  224    HA   HIS  31           HA       HIS  31   0.759  -6.837   2.659
  225   1HB   HIS  31          2HB       HIS  31  -1.538  -8.633   3.349
  226   2HB   HIS  31          1HB       HIS  31  -0.651  -7.821   4.636
  227    HD1  HIS  31           1HD      HIS  31  -0.730  -5.184   4.637
  228    HD2  HIS  31           2HD      HIS  31  -3.299  -7.034   1.939
  229    HE1  HIS  31           1HE      HIS  31  -2.310  -3.386   3.858
  230    HE2  HIS  31           2HE      HIS  31  -3.973  -4.563   2.373
  231    H    ILE  32           H        ILE  32   1.257 -10.077   1.929
  232    HA   ILE  32           HA       ILE  32   2.606 -10.839   4.351
  233    HB   ILE  32           HB       ILE  32   3.081 -12.089   1.657
  234   1HG1  ILE  32          1HG1      ILE  32   0.628 -11.830   2.088
  235   2HG1  ILE  32          2HG1      ILE  32   1.182 -13.515   1.935
  236   1HG2  ILE  32          1HG2      ILE  32   2.862 -13.877   3.906
  237   2HG2  ILE  32          2HG2      ILE  32   4.205 -13.641   2.790
  238   3HG2  ILE  32          3HG2      ILE  32   4.054 -12.620   4.221
  239   1HD1  ILE  32          1HD1      ILE  32  -0.020 -12.113   4.224
  240   2HD1  ILE  32          2HD1      ILE  32  -0.060 -13.820   3.773
  241   3HD1  ILE  32          3HD1      ILE  32   1.345 -13.162   4.617
  242    H    ASN  33           H        ASN  33   3.722 -10.073   1.057
  243    HA   ASN  33           HA       ASN  33   6.425  -9.624   2.085
  244   1HB   ASN  33          2HB       ASN  33   5.384  -9.652  -0.758
  245   2HB   ASN  33          1HB       ASN  33   7.069  -9.480  -0.299
  246   1HD2  ASN  33          1HD2      ASN  33   4.520 -11.616  -0.908
  247   2HD2  ASN  33          2HD2      ASN  33   5.374 -13.077  -0.538
  248    H    LYS  34           H        LYS  34   3.669  -7.879   1.604
  249    HA   LYS  34           HA       LYS  34   3.144  -5.691   1.742
  250   1HB   LYS  34          2HB       LYS  34   6.044  -5.203   2.423
  251   2HB   LYS  34          1HB       LYS  34   4.676  -4.169   2.809
  252   1HG   LYS  34          2HG       LYS  34   4.526  -6.924   3.837
  253   2HG   LYS  34          1HG       LYS  34   5.789  -5.906   4.534
  254   1HD   LYS  34          2HD       LYS  34   3.865  -4.159   4.749
  255   2HD   LYS  34          1HD       LYS  34   2.816  -5.572   4.614
  256   1HE   LYS  34          1HE       LYS  34   5.049  -5.892   6.500
  257   2HE   LYS  34          2HE       LYS  34   3.893  -4.616   6.943
  258   1HZ   LYS  34          1HZ       LYS  34   2.142  -6.419   6.453
  259   2HZ   LYS  34          2HZ       LYS  34   3.008  -6.499   7.913
  260   3HZ   LYS  34          3HZ       LYS  34   3.424  -7.518   6.623
  261    H    ARG  35           H        ARG  35   3.147  -6.255  -0.733
  262    HA   ARG  35           HA       ARG  35   4.672  -4.093  -2.033
  263   1HB   ARG  35          2HB       ARG  35   3.688  -6.365  -3.675
  264   2HB   ARG  35          1HB       ARG  35   5.083  -5.332  -3.921
  265   1HG   ARG  35          2HG       ARG  35   6.375  -6.936  -3.127
  266   2HG   ARG  35          1HG       ARG  35   5.574  -6.779  -1.561
  267   1HD   ARG  35          2HD       ARG  35   5.012  -8.925  -1.893
  268   2HD   ARG  35          1HD       ARG  35   3.755  -8.250  -2.924
  269    HE   ARG  35           HE       ARG  35   6.157  -8.653  -4.390
  270   1HH1  ARG  35          2HH1      ARG  35   3.536 -10.473  -2.924
  271   2HH1  ARG  35          1HH1      ARG  35   3.539 -11.701  -4.161
  272   1HH2  ARG  35          2HH2      ARG  35   6.197 -10.279  -5.960
  273   2HH2  ARG  35          1HH2      ARG  35   5.071 -11.604  -5.880
  274    H    THR  36           H        THR  36   3.465  -2.541  -2.808
  275    HA   THR  36           HA       THR  36   0.572  -2.972  -3.222
  276    HB   THR  36           HB       THR  36   0.985  -0.266  -3.393
  277    HG1  THR  36           1HG      THR  36   2.395   0.239  -1.639
  278   1HG2  THR  36          1HG2      THR  36  -0.392  -2.020  -1.769
  279   2HG2  THR  36          2HG2      THR  36  -0.479  -0.255  -1.703
  280   3HG2  THR  36          3HG2      THR  36   0.623  -1.126  -0.637
  281    H    THR  37           H        THR  37  -0.006  -3.230  -5.315
  282    HA   THR  37           HA       THR  37   1.374  -1.592  -7.336
  283    HB   THR  37           HB       THR  37   2.125  -3.787  -7.827
  284    HG1  THR  37           1HG      THR  37   0.014  -3.911  -9.614
  285   1HG2  THR  37          1HG2      THR  37   1.040  -5.650  -7.271
  286   2HG2  THR  37          2HG2      THR  37  -0.336  -5.206  -8.284
  287   3HG2  THR  37          3HG2      THR  37  -0.250  -4.636  -6.616
  288    H    TYR  38           H        TYR  38   0.098  -0.380  -8.598
  289    HA   TYR  38           HA       TYR  38  -2.701  -0.272  -7.936
  290   1HB   TYR  38          2HB       TYR  38  -0.832   1.375  -9.573
  291   2HB   TYR  38          1HB       TYR  38  -2.558   1.517  -9.890
  292    HD1  TYR  38           1HD      TYR  38  -3.789   3.057  -8.662
  293    HD2  TYR  38           2HD      TYR  38  -0.154   1.563  -7.036
  294    HE1  TYR  38           1HE      TYR  38  -4.000   4.615  -6.765
  295    HE2  TYR  38           2HE      TYR  38  -0.359   3.102  -5.137
  296    HH   TYR  38           HH       TYR  38  -1.700   4.550  -4.062
  297    H    LEU  39           H        LEU  39  -0.837  -1.859 -10.303
  298    HA   LEU  39           HA       LEU  39  -3.249  -2.288 -11.929
  299   1HB   LEU  39          2HB       LEU  39  -0.581  -1.615 -12.671
  300   2HB   LEU  39          1HB       LEU  39  -0.925  -3.225 -13.274
  301    HG   LEU  39           HG       LEU  39  -1.408  -1.405 -14.902
  302   1HD1  LEU  39          1HD1      LEU  39  -2.622  -3.697 -14.697
  303   2HD1  LEU  39          2HD1      LEU  39  -3.998  -2.711 -14.205
  304   3HD1  LEU  39          3HD1      LEU  39  -3.255  -2.460 -15.786
  305   1HD2  LEU  39          1HD2      LEU  39  -2.702  -0.257 -12.673
  306   2HD2  LEU  39          2HD2      LEU  39  -2.560   0.395 -14.306
  307   3HD2  LEU  39          3HD2      LEU  39  -3.943  -0.611 -13.875
  308    H    ASP  40           H        ASP  40  -3.273  -4.418 -13.037
  309    HA   ASP  40           HA       ASP  40  -3.526  -6.459 -11.147
  310   1HB   ASP  40          2HB       ASP  40  -4.654  -6.153 -13.438
  311   2HB   ASP  40          1HB       ASP  40  -3.226  -6.933 -14.103
  312    HA   PRO  41           HA       PRO  41   0.727  -7.861 -11.238
  313   1HB   PRO  41          2HB       PRO  41   0.692  -9.114  -8.883
  314   2HB   PRO  41          1HB       PRO  41   0.619  -7.349  -8.978
  315   1HG   PRO  41          2HG       PRO  41  -1.536  -9.310  -8.384
  316   2HG   PRO  41          1HG       PRO  41  -1.326  -7.656  -7.788
  317   1HD   PRO  41          2HD       PRO  41  -2.997  -8.511  -9.914
  318   2HD   PRO  41          1HD       PRO  41  -2.625  -6.841  -9.454
  319    H    ARG  42           H        ARG  42  -1.756  -9.454 -12.316
  320    HA   ARG  42           HA       ARG  42  -0.438 -12.086 -12.148
  321   1HB   ARG  42          2HB       ARG  42  -3.354 -11.497 -12.687
  322   2HB   ARG  42          1HB       ARG  42  -2.626 -13.097 -12.626
  323   1HG   ARG  42          2HG       ARG  42  -2.434 -13.077 -10.344
  324   2HG   ARG  42          1HG       ARG  42  -2.360 -11.315 -10.255
  325   1HD   ARG  42          2HD       ARG  42  -4.734 -13.108 -10.512
  326   2HD   ARG  42          1HD       ARG  42  -4.464 -11.753  -9.417
  327    HE   ARG  42           HE       ARG  42  -4.611 -10.374 -11.604
  328   1HH1  ARG  42          2HH1      ARG  42  -6.422 -13.299 -10.917
  329   2HH1  ARG  42          1HH1      ARG  42  -7.789 -12.846 -11.896
  330   1HH2  ARG  42          2HH2      ARG  42  -6.383  -9.781 -12.912
  331   2HH2  ARG  42          1HH2      ARG  42  -7.760 -10.849 -13.047
  332    H    LEU  43           H        LEU  43  -0.675  -9.516 -14.085
  333    HA   LEU  43           HA       LEU  43  -1.385 -10.767 -16.568
  334   1HB   LEU  43          2HB       LEU  43  -0.118  -8.101 -15.969
  335   2HB   LEU  43          1HB       LEU  43  -0.604  -8.622 -17.568
  336    HG   LEU  43           HG       LEU  43  -2.496  -8.314 -15.239
  337   1HD1  LEU  43          1HD1      LEU  43  -3.150  -6.229 -16.125
  338   2HD1  LEU  43          2HD1      LEU  43  -1.387  -6.191 -16.078
  339   3HD1  LEU  43          3HD1      LEU  43  -2.222  -6.476 -17.604
  340   1HD2  LEU  43          1HD2      LEU  43  -2.716  -9.412 -17.919
  341   2HD2  LEU  43          2HD2      LEU  43  -3.817  -9.543 -16.547
  342   3HD2  LEU  43          3HD2      LEU  43  -3.892  -8.134 -17.603
  343    H    ALA  44           H        ALA  44   1.630  -8.956 -15.968
  344    HA   ALA  44           HA       ALA  44   3.034 -10.994 -17.542
  345   1HB   ALA  44          1HB       ALA  44   3.140  -8.438 -17.970
  346   2HB   ALA  44          2HB       ALA  44   4.287  -8.435 -16.632
  347   3HB   ALA  44          3HB       ALA  44   4.619  -9.391 -18.076
  348    H    PHE  45           H        PHE  45   2.278 -10.822 -14.500
  349    HA   PHE  45           HA       PHE  45   4.947 -11.288 -13.389
  350   1HB   PHE  45          2HB       PHE  45   2.294 -10.789 -12.033
  351   2HB   PHE  45          1HB       PHE  45   3.800 -11.112 -11.180
  352    HD1  PHE  45           1HD      PHE  45   5.481  -9.444 -10.958
  353    HD2  PHE  45           2HD      PHE  45   1.986  -8.689 -13.264
  354    HE1  PHE  45           1HE      PHE  45   6.030  -7.048 -10.999
  355    HE2  PHE  45           2HE      PHE  45   2.529  -6.290 -13.318
  356    HZ   PHE  45           HZ       PHE  45   4.555  -5.465 -12.180
  357    H    THR  46           H        THR  46   4.592 -13.291 -14.842
  358    HA   THR  46           HA       THR  46   4.006 -15.489 -13.028
  359    HB   THR  46           HB       THR  46   3.097 -16.166 -15.708
  360    HG1  THR  46           1HG      THR  46   1.853 -13.989 -14.368
  361   1HG2  THR  46          1HG2      THR  46   2.675 -17.478 -13.657
  362   2HG2  THR  46          2HG2      THR  46   1.189 -17.059 -14.504
  363   3HG2  THR  46          3HG2      THR  46   1.656 -16.173 -13.056
  364    H    VAL  47           H        VAL  47   4.707 -17.632 -14.365
  365    HA   VAL  47           HA       VAL  47   7.419 -17.126 -15.239
  366    HB   VAL  47           HB       VAL  47   6.241 -19.845 -15.545
  367   1HG1  VAL  47          1HG1      VAL  47   8.679 -19.081 -15.898
  368   2HG1  VAL  47          2HG1      VAL  47   8.772 -19.086 -14.138
  369   3HG1  VAL  47          3HG1      VAL  47   8.381 -20.572 -15.005
  370   1HG2  VAL  47          1HG2      VAL  47   6.947 -19.973 -12.942
  371   2HG2  VAL  47          2HG2      VAL  47   6.250 -18.353 -12.999
  372   3HG2  VAL  47          3HG2      VAL  47   5.286 -19.743 -13.497
  373    H    ASP  48           H        ASP  48   6.161 -15.762 -16.931
  374    HA   ASP  48           HA       ASP  48   6.300 -17.112 -19.479
  375   1HB   ASP  48          2HB       ASP  48   3.870 -17.280 -18.359
  376   2HB   ASP  48          1HB       ASP  48   3.736 -15.650 -19.004
  377    H    ASP  49           H        ASP  49   5.497 -15.304 -21.191
  378    HA   ASP  49           HA       ASP  49   7.065 -12.954 -20.580
  379   1HB   ASP  49          2HB       ASP  49   6.980 -13.975 -22.876
  380   2HB   ASP  49          1HB       ASP  49   5.309 -13.431 -22.998
  381    H    ASN  50           H        ASN  50   3.772 -13.267 -21.859
  382    HA   ASN  50           HA       ASN  50   2.397 -12.118 -19.738
  383   1HB   ASN  50          2HB       ASN  50   3.534 -10.022 -20.160
  384   2HB   ASN  50          1HB       ASN  50   3.159 -10.112 -21.878
  385   1HD2  ASN  50          1HD2      ASN  50   1.133 -10.657 -19.013
  386   2HD2  ASN  50          2HD2      ASN  50  -0.042  -9.456 -19.415
  387    HA   PRO  51           HA       PRO  51  -0.383 -14.097 -22.769
  388   1HB   PRO  51          2HB       PRO  51  -2.120 -14.094 -20.376
  389   2HB   PRO  51          1HB       PRO  51  -1.667 -15.435 -21.433
  390   1HG   PRO  51          2HG       PRO  51  -0.662 -15.220 -18.964
  391   2HG   PRO  51          1HG       PRO  51   0.323 -15.823 -20.312
  392   1HD   PRO  51          2HD       PRO  51   0.313 -13.119 -19.029
  393   2HD   PRO  51          1HD       PRO  51   1.687 -14.096 -19.592
  394    H    THR  52           H        THR  52  -0.846 -12.295 -24.001
  395    HA   THR  52           HA       THR  52  -2.527 -10.210 -22.801
  396    HB   THR  52           HB       THR  52  -1.644  -9.565 -25.469
  397    HG1  THR  52           1HG      THR  52   0.249 -10.672 -23.695
  398   1HG2  THR  52          1HG2      THR  52  -2.346  -8.080 -23.498
  399   2HG2  THR  52          2HG2      THR  52  -0.967  -7.554 -24.462
  400   3HG2  THR  52          3HG2      THR  52  -0.704  -8.323 -22.897
  401    H    LYS  53           H        LYS  53  -4.607 -10.751 -23.030
  402    HA   LYS  53           HA       LYS  53  -5.545 -11.600 -25.684
  403   1HB   LYS  53          2HB       LYS  53  -6.342 -12.256 -22.935
  404   2HB   LYS  53          1HB       LYS  53  -7.694 -11.875 -23.992
  405   1HG   LYS  53          2HG       LYS  53  -6.668 -13.550 -25.623
  406   2HG   LYS  53          1HG       LYS  53  -5.675 -14.071 -24.257
  407   1HD   LYS  53          2HD       LYS  53  -7.367 -15.433 -23.740
  408   2HD   LYS  53          1HD       LYS  53  -8.210 -13.985 -23.186
  409   1HE   LYS  53          1HE       LYS  53  -8.507 -14.153 -26.014
  410   2HE   LYS  53          2HE       LYS  53  -8.895 -15.744 -25.325
  411   1HZ   LYS  53          1HZ       LYS  53 -10.762 -14.037 -25.518
  412   2HZ   LYS  53          2HZ       LYS  53 -10.049 -13.255 -24.194
  413   3HZ   LYS  53          3HZ       LYS  53 -10.600 -14.853 -24.039
  414    HA   PRO  54           HA       PRO  54  -7.003  -7.372 -26.018
  415   1HB   PRO  54          2HB       PRO  54  -8.375  -8.402 -28.418
  416   2HB   PRO  54          1HB       PRO  54  -7.170  -7.119 -28.278
  417   1HG   PRO  54          2HG       PRO  54  -6.573  -9.490 -29.378
  418   2HG   PRO  54          1HG       PRO  54  -5.394  -8.593 -28.408
  419   1HD   PRO  54          2HD       PRO  54  -7.080 -10.947 -27.647
  420   2HD   PRO  54          1HD       PRO  54  -5.380 -10.604 -27.258
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -5.238   3.768 -24.100
    2   2H    GLY   1          2H        GLY   1  -5.265   2.630 -22.843
    3   3H    GLY   1          3H        GLY   1  -6.714   3.130 -23.564
    4   1HA   GLY   1          2HA       GLY   1  -6.100   2.110 -25.639
    5   2HA   GLY   1          1HA       GLY   1  -4.555   1.642 -24.945
    6    H    SER   2           H        SER   2  -5.147  -0.543 -25.532
    7    HA   SER   2           HA       SER   2  -5.948  -2.625 -25.132
    8   1HB   SER   2          2HB       SER   2  -6.198  -1.475 -22.341
    9   2HB   SER   2          1HB       SER   2  -6.363  -3.189 -22.722
   10    HG   SER   2           HG       SER   2  -4.088  -1.530 -22.863
   11    H    ALA   3           H        ALA   3  -8.020  -3.163 -23.002
   12    HA   ALA   3           HA       ALA   3 -10.384  -1.756 -23.731
   13   1HB   ALA   3          1HB       ALA   3  -9.856  -4.435 -24.986
   14   2HB   ALA   3          2HB       ALA   3 -11.497  -3.861 -24.690
   15   3HB   ALA   3          3HB       ALA   3 -10.421  -2.947 -25.747
   16    H    LYS   4           H        LYS   4 -12.225  -2.479 -22.542
   17    HA   LYS   4           HA       LYS   4 -11.537  -4.244 -20.295
   18   1HB   LYS   4          2HB       LYS   4 -13.868  -3.188 -19.484
   19   2HB   LYS   4          1HB       LYS   4 -12.315  -2.425 -19.177
   20   1HG   LYS   4          2HG       LYS   4 -13.072  -0.606 -20.173
   21   2HG   LYS   4          1HG       LYS   4 -13.139  -1.500 -21.690
   22   1HD   LYS   4          2HD       LYS   4 -15.282  -0.476 -21.231
   23   2HD   LYS   4          1HD       LYS   4 -15.424  -2.234 -21.127
   24   1HE   LYS   4          2HE       LYS   4 -15.459  -2.171 -18.751
   25   2HE   LYS   4          1HE       LYS   4 -14.960  -0.479 -18.722
   26   1HZ   LYS   4          1HZ       LYS   4 -17.520  -1.388 -18.584
   27   2HZ   LYS   4          2HZ       LYS   4 -17.380  -0.888 -20.199
   28   3HZ   LYS   4          3HZ       LYS   4 -17.046   0.203 -18.941
   29    H    ARG   5           H        ARG   5 -11.880  -6.186 -21.336
   30    HA   ARG   5           HA       ARG   5 -14.615  -6.682 -22.310
   31   1HB   ARG   5          2HB       ARG   5 -11.978  -7.446 -23.296
   32   2HB   ARG   5          1HB       ARG   5 -13.073  -8.816 -23.163
   33   1HG   ARG   5          2HG       ARG   5 -14.075  -6.341 -24.466
   34   2HG   ARG   5          1HG       ARG   5 -12.934  -7.356 -25.350
   35   1HD   ARG   5          2HD       ARG   5 -15.025  -8.171 -25.984
   36   2HD   ARG   5          1HD       ARG   5 -14.487  -9.303 -24.743
   37    HE   ARG   5           HE       ARG   5 -16.228  -7.070 -23.967
   38   1HH1  ARG   5          2HH1      ARG   5 -15.783 -10.518 -24.482
   39   2HH1  ARG   5          1HH1      ARG   5 -17.220 -10.948 -23.606
   40   1HH2  ARG   5          2HH2      ARG   5 -18.125  -7.675 -22.796
   41   2HH2  ARG   5          1HH2      ARG   5 -18.537  -9.361 -22.673
   42    H    LYS   6           H        LYS   6 -12.325  -7.453 -19.911
   43    HA   LYS   6           HA       LYS   6 -13.433 -10.053 -19.297
   44   1HB   LYS   6          2HB       LYS   6 -11.116  -8.471 -18.448
   45   2HB   LYS   6          1HB       LYS   6 -11.870  -9.377 -17.144
   46   1HG   LYS   6          2HG       LYS   6 -11.575 -11.003 -19.511
   47   2HG   LYS   6          1HG       LYS   6 -10.031 -10.323 -18.995
   48   1HD   LYS   6          2HD       LYS   6  -9.914 -11.884 -17.415
   49   2HD   LYS   6          1HD       LYS   6 -11.356 -11.197 -16.662
   50   1HE   LYS   6          2HE       LYS   6 -12.350 -13.148 -17.084
   51   2HE   LYS   6          1HE       LYS   6 -12.350 -12.671 -18.783
   52   1HZ   LYS   6          1HZ       LYS   6  -9.914 -13.660 -18.609
   53   2HZ   LYS   6          2HZ       LYS   6 -11.262 -14.628 -18.963
   54   3HZ   LYS   6          3HZ       LYS   6 -10.644 -14.578 -17.382
   55    H    ARG   7           H        ARG   7 -15.635  -9.061 -19.087
   56    HA   ARG   7           HA       ARG   7 -16.318  -7.502 -16.836
   57   1HB   ARG   7          2HB       ARG   7 -18.616  -8.278 -17.207
   58   2HB   ARG   7          1HB       ARG   7 -17.858  -7.797 -18.717
   59   1HG   ARG   7          2HG       ARG   7 -18.014  -9.853 -19.591
   60   2HG   ARG   7          1HG       ARG   7 -17.595 -10.646 -18.072
   61   1HD   ARG   7          2HD       ARG   7 -19.744 -11.231 -17.924
   62   2HD   ARG   7          1HD       ARG   7 -20.085  -9.535 -17.581
   63    HE   ARG   7           HE       ARG   7 -20.527  -9.235 -19.957
   64   1HH1  ARG   7          2HH1      ARG   7 -20.499 -12.524 -18.730
   65   2HH1  ARG   7          1HH1      ARG   7 -21.384 -13.167 -20.085
   66   1HH2  ARG   7          2HH2      ARG   7 -21.694 -10.058 -21.704
   67   2HH2  ARG   7          1HH2      ARG   7 -22.064 -11.758 -21.796
   68    H    VAL   8           H        VAL   8 -15.737 -10.907 -17.275
   69    HA   VAL   8           HA       VAL   8 -16.414 -11.460 -14.491
   70    HB   VAL   8           HB       VAL   8 -15.208 -13.740 -15.623
   71   1HG1  VAL   8          1HG1      VAL   8 -18.010 -12.959 -14.919
   72   2HG1  VAL   8          2HG1      VAL   8 -17.639 -14.559 -15.554
   73   3HG1  VAL   8          3HG1      VAL   8 -16.898 -14.015 -14.048
   74   1HG2  VAL   8          1HG2      VAL   8 -15.447 -13.310 -17.844
   75   2HG2  VAL   8          2HG2      VAL   8 -17.061 -13.942 -17.524
   76   3HG2  VAL   8          3HG2      VAL   8 -16.795 -12.200 -17.601
   77    H    ALA   9           H        ALA   9 -14.699  -9.933 -13.862
   78    HA   ALA   9           HA       ALA   9 -11.963 -10.589 -14.391
   79   1HB   ALA   9          1HB       ALA   9 -12.332  -8.872 -12.104
   80   2HB   ALA   9          2HB       ALA   9 -11.584  -8.524 -13.664
   81   3HB   ALA   9          3HB       ALA   9 -13.326  -8.350 -13.464
   82    H    GLY  10           H        GLY  10 -10.527 -11.652 -13.135
   83   1HA   GLY  10          1HA       GLY  10 -11.609 -13.329 -11.030
   84   2HA   GLY  10          2HA       GLY  10  -9.987 -13.414 -11.705
   85    H    ASP  11           H        ASP  11 -11.202 -13.188  -8.890
   86    HA   ASP  11           HA       ASP  11 -10.222 -10.714  -7.866
   87   1HB   ASP  11          2HB       ASP  11 -10.671 -11.731  -5.645
   88   2HB   ASP  11          1HB       ASP  11 -12.055 -11.833  -6.729
   89    H    LEU  12           H        LEU  12  -8.784 -11.263  -5.685
   90    HA   LEU  12           HA       LEU  12  -6.252 -11.887  -6.985
   91   1HB   LEU  12          2HB       LEU  12  -6.729 -10.509  -4.352
   92   2HB   LEU  12          1HB       LEU  12  -5.222 -10.593  -5.241
   93    HG   LEU  12           HG       LEU  12  -7.663  -9.252  -6.376
   94   1HD1  LEU  12          1HD1      LEU  12  -6.850  -7.155  -5.551
   95   2HD1  LEU  12          2HD1      LEU  12  -7.060  -8.256  -4.188
   96   3HD1  LEU  12          3HD1      LEU  12  -5.447  -7.938  -4.824
   97   1HD2  LEU  12          1HD2      LEU  12  -5.906  -8.029  -7.663
   98   2HD2  LEU  12          2HD2      LEU  12  -4.714  -9.143  -6.975
   99   3HD2  LEU  12          3HD2      LEU  12  -6.004  -9.757  -8.014
  100    HA   PRO  13           HA       PRO  13  -5.138 -15.501  -4.589
  101   1HB   PRO  13          2HB       PRO  13  -2.631 -13.951  -4.096
  102   2HB   PRO  13          1HB       PRO  13  -2.821 -15.608  -4.676
  103   1HG   PRO  13          2HG       PRO  13  -2.174 -13.707  -6.381
  104   2HG   PRO  13          1HG       PRO  13  -3.394 -14.913  -6.836
  105   1HD   PRO  13          2HD       PRO  13  -3.772 -12.080  -5.938
  106   2HD   PRO  13          1HD       PRO  13  -4.611 -12.979  -7.221
  107    H    TYR  14           H        TYR  14  -3.986 -15.962  -2.375
  108    HA   TYR  14           HA       TYR  14  -5.646 -14.816  -0.397
  109   1HB   TYR  14          2HB       TYR  14  -5.102 -16.918   0.258
  110   2HB   TYR  14          1HB       TYR  14  -3.532 -16.867  -0.533
  111    HD1  TYR  14           1HD      TYR  14  -5.353 -15.717   2.490
  112    HD2  TYR  14           2HD      TYR  14  -1.575 -16.548   0.721
  113    HE1  TYR  14           1HE      TYR  14  -4.272 -15.437   4.679
  114    HE2  TYR  14           2HE      TYR  14  -0.480 -16.274   2.904
  115    HH   TYR  14           HH       TYR  14  -1.438 -14.748   5.260
  116    H    GLY  15           H        GLY  15  -2.227 -14.362  -1.194
  117   1HA   GLY  15          1HA       GLY  15  -1.621 -12.754   1.077
  118   2HA   GLY  15          2HA       GLY  15  -0.654 -12.904  -0.391
  119    H    TRP  16           H        TRP  16  -2.949 -12.054  -2.049
  120    HA   TRP  16           HA       TRP  16  -2.305  -9.249  -1.932
  121   1HB   TRP  16          2HB       TRP  16  -3.905 -10.905  -3.871
  122   2HB   TRP  16          1HB       TRP  16  -3.638  -9.171  -4.053
  123    HD1  TRP  16           HD       TRP  16  -1.827 -12.515  -4.278
  124    HE1  TRP  16           1HE      TRP  16   0.418 -12.190  -5.466
  125    HE3  TRP  16           3HE      TRP  16  -1.856  -7.430  -4.419
  126    HZ2  TRP  16           2HZ      TRP  16   1.999  -9.937  -6.337
  127    HZ3  TRP  16           3HZ      TRP  16   0.041  -6.249  -5.424
  128    HH2  TRP  16           HH       TRP  16   1.938  -7.483  -6.365
  129    H    GLU  17           H        GLU  17  -3.686  -7.558  -1.683
  130    HA   GLU  17           HA       GLU  17  -6.483  -8.162  -0.997
  131   1HB   GLU  17          2HB       GLU  17  -4.461  -6.516   0.464
  132   2HB   GLU  17          1HB       GLU  17  -6.137  -5.972   0.461
  133   1HG   GLU  17          2HG       GLU  17  -5.972  -8.782   1.068
  134   2HG   GLU  17          1HG       GLU  17  -4.974  -7.832   2.169
  135    H    GLN  18           H        GLN  18  -7.978  -6.816  -1.916
  136    HA   GLN  18           HA       GLN  18  -6.959  -4.926  -3.899
  137   1HB   GLN  18          2HB       GLN  18  -8.575  -6.472  -4.770
  138   2HB   GLN  18          1HB       GLN  18  -9.699  -6.128  -3.457
  139   1HG   GLN  18          2HG       GLN  18 -10.319  -4.094  -4.351
  140   2HG   GLN  18          1HG       GLN  18  -8.843  -3.941  -5.302
  141   1HE2  GLN  18          1HE2      GLN  18  -9.378  -3.927  -7.362
  142   2HE2  GLN  18          2HE2      GLN  18 -10.475  -5.015  -8.135
  143    H    GLU  19           H        GLU  19  -6.493  -3.057  -2.969
  144    HA   GLU  19           HA       GLU  19  -8.428  -1.907  -1.076
  145   1HB   GLU  19          2HB       GLU  19  -5.696  -0.769  -1.496
  146   2HB   GLU  19          1HB       GLU  19  -6.705  -0.725  -0.067
  147   1HG   GLU  19          2HG       GLU  19  -6.201  -3.411  -0.414
  148   2HG   GLU  19          1HG       GLU  19  -4.687  -2.629  -0.871
  149    H    THR  20           H        THR  20  -8.702   0.431  -1.211
  150    HA   THR  20           HA       THR  20  -8.313   1.458  -3.939
  151    HB   THR  20           HB       THR  20 -10.658   2.166  -2.174
  152    HG1  THR  20           1HG      THR  20 -10.603  -0.104  -2.902
  153   1HG2  THR  20          1HG2      THR  20 -11.191   3.634  -3.767
  154   2HG2  THR  20          2HG2      THR  20 -10.963   2.433  -5.039
  155   3HG2  THR  20          3HG2      THR  20  -9.584   3.359  -4.439
  156    H    ASP  21           H        ASP  21  -7.388   3.443  -4.083
  157    HA   ASP  21           HA       ASP  21  -6.326   4.605  -1.709
  158   1HB   ASP  21          2HB       ASP  21  -4.859   5.555  -3.116
  159   2HB   ASP  21          1HB       ASP  21  -5.645   4.664  -4.401
  160    H    GLU  22           H        GLU  22  -6.478   7.076  -1.643
  161    HA   GLU  22           HA       GLU  22  -9.082   7.562  -0.612
  162   1HB   GLU  22          2HB       GLU  22  -7.510   9.976  -1.002
  163   2HB   GLU  22          1HB       GLU  22  -8.140   9.273   0.478
  164   1HG   GLU  22          2HG       GLU  22  -6.240   7.763   0.585
  165   2HG   GLU  22          1HG       GLU  22  -5.618   8.432  -0.925
  166    H    ASN  23           H        ASN  23  -7.559   8.318  -3.648
  167    HA   ASN  23           HA       ASN  23  -9.531  10.257  -4.448
  168   1HB   ASN  23          2HB       ASN  23  -7.436   8.724  -6.007
  169   2HB   ASN  23          1HB       ASN  23  -8.503   9.919  -6.734
  170   1HD2  ASN  23          1HD2      ASN  23  -5.845   9.377  -4.584
  171   2HD2  ASN  23          2HD2      ASN  23  -5.329  11.029  -4.494
  172    H    GLY  24           H        GLY  24  -8.972   6.828  -4.846
  173   1HA   GLY  24          1HA       GLY  24 -11.129   5.532  -4.868
  174   2HA   GLY  24          2HA       GLY  24 -11.594   6.588  -6.196
  175    H    GLN  25           H        GLN  25  -8.326   5.990  -6.342
  176    HA   GLN  25           HA       GLN  25  -8.608   4.231  -8.572
  177   1HB   GLN  25          2HB       GLN  25  -6.795   6.115  -8.008
  178   2HB   GLN  25          1HB       GLN  25  -5.949   4.729  -7.330
  179   1HG   GLN  25          2HG       GLN  25  -5.659   3.730  -9.369
  180   2HG   GLN  25          1HG       GLN  25  -7.056   4.534 -10.084
  181   1HE2  GLN  25          1HE2      GLN  25  -6.572   6.015 -11.520
  182   2HE2  GLN  25          2HE2      GLN  25  -5.123   6.968 -11.572
  183    H    VAL  26           H        VAL  26  -8.891   2.107  -8.331
  184    HA   VAL  26           HA       VAL  26  -8.303   0.786  -5.873
  185    HB   VAL  26           HB       VAL  26 -10.120   0.198  -7.651
  186   1HG1  VAL  26          1HG1      VAL  26  -8.308  -1.936  -8.552
  187   2HG1  VAL  26          2HG1      VAL  26  -9.598  -1.098  -9.421
  188   3HG1  VAL  26          3HG1      VAL  26  -8.016  -0.337  -9.236
  189   1HG2  VAL  26          1HG2      VAL  26 -10.474  -1.797  -6.556
  190   2HG2  VAL  26          2HG2      VAL  26  -8.753  -2.180  -6.490
  191   3HG2  VAL  26          3HG2      VAL  26  -9.423  -0.943  -5.423
  192    H    PHE  27           H        PHE  27  -6.890  -0.993  -5.626
  193    HA   PHE  27           HA       PHE  27  -4.796  -1.500  -7.492
  194   1HB   PHE  27          2HB       PHE  27  -2.940  -0.525  -6.247
  195   2HB   PHE  27          1HB       PHE  27  -4.094   0.736  -6.656
  196    HD1  PHE  27           1HD      PHE  27  -2.575  -1.198  -3.988
  197    HD2  PHE  27           2HD      PHE  27  -5.440   1.825  -4.879
  198    HE1  PHE  27           1HE      PHE  27  -2.644  -0.584  -1.627
  199    HE2  PHE  27           2HE      PHE  27  -5.527   2.448  -2.512
  200    HZ   PHE  27           HZ       PHE  27  -4.155   1.236  -0.880
  201    H    PHE  28           H        PHE  28  -3.199  -2.995  -6.628
  202    HA   PHE  28           HA       PHE  28  -4.431  -4.675  -4.547
  203   1HB   PHE  28          2HB       PHE  28  -2.591  -5.697  -6.697
  204   2HB   PHE  28          1HB       PHE  28  -3.763  -6.595  -5.736
  205    HD1  PHE  28           1HD      PHE  28  -6.241  -5.337  -6.006
  206    HD2  PHE  28           2HD      PHE  28  -3.153  -5.633  -8.910
  207    HE1  PHE  28           1HE      PHE  28  -7.903  -5.112  -7.779
  208    HE2  PHE  28           2HE      PHE  28  -4.815  -5.393 -10.699
  209    HZ   PHE  28           HZ       PHE  28  -7.200  -5.128 -10.145
  210    H    VAL  29           H        VAL  29  -3.254  -5.132  -2.805
  211    HA   VAL  29           HA       VAL  29  -0.337  -4.883  -3.017
  212    HB   VAL  29           HB       VAL  29  -0.551  -3.020  -1.774
  213   1HG1  VAL  29          1HG1      VAL  29  -3.238  -4.065  -1.161
  214   2HG1  VAL  29          2HG1      VAL  29  -2.544  -2.928  -0.004
  215   3HG1  VAL  29          3HG1      VAL  29  -2.733  -2.462  -1.695
  216   1HG2  VAL  29          1HG2      VAL  29   0.180  -3.433   0.324
  217   2HG2  VAL  29          2HG2      VAL  29  -1.173  -4.504   0.699
  218   3HG2  VAL  29          3HG2      VAL  29   0.195  -5.106  -0.239
  219    H    ASP  30           H        ASP  30   0.681  -6.617  -2.418
  220    HA   ASP  30           HA       ASP  30  -0.666  -8.793  -1.122
  221   1HB   ASP  30          2HB       ASP  30   1.047  -9.993  -1.948
  222   2HB   ASP  30          1HB       ASP  30   1.625  -8.515  -2.704
  223    H    HIS  31           H        HIS  31  -0.563  -9.355   1.037
  224    HA   HIS  31           HA       HIS  31   0.683  -7.299   2.728
  225   1HB   HIS  31          2HB       HIS  31  -1.819  -8.906   3.040
  226   2HB   HIS  31          1HB       HIS  31  -0.994  -8.294   4.473
  227    HD1  HIS  31           1HD      HIS  31  -0.705  -5.627   4.585
  228    HD2  HIS  31           2HD      HIS  31  -3.340  -7.063   1.708
  229    HE1  HIS  31           1HE      HIS  31  -2.025  -3.629   3.804
  230    HE2  HIS  31           2HE      HIS  31  -3.768  -4.559   2.240
  231    H    ILE  32           H        ILE  32   1.942  -9.716   1.606
  232    HA   ILE  32           HA       ILE  32   2.872 -10.900   4.141
  233    HB   ILE  32           HB       ILE  32   3.730 -11.842   1.423
  234   1HG1  ILE  32          1HG1      ILE  32   1.190 -11.731   1.574
  235   2HG1  ILE  32          2HG1      ILE  32   1.901 -13.314   1.180
  236   1HG2  ILE  32          1HG2      ILE  32   3.487 -14.020   3.046
  237   2HG2  ILE  32          2HG2      ILE  32   4.972 -13.099   2.782
  238   3HG2  ILE  32          3HG2      ILE  32   3.956 -12.757   4.186
  239   1HD1  ILE  32          1HD1      ILE  32   1.716 -13.431   3.905
  240   2HD1  ILE  32          2HD1      ILE  32   0.288 -12.492   3.482
  241   3HD1  ILE  32          3HD1      ILE  32   0.533 -14.090   2.773
  242    H    ASN  33           H        ASN  33   4.065  -9.719   1.008
  243    HA   ASN  33           HA       ASN  33   6.619  -8.947   2.228
  244   1HB   ASN  33          2HB       ASN  33   5.656  -9.180  -0.619
  245   2HB   ASN  33          1HB       ASN  33   7.156  -8.358  -0.224
  246   1HD2  ASN  33          1HD2      ASN  33   5.668 -11.306  -0.825
  247   2HD2  ASN  33          2HD2      ASN  33   7.009 -12.321  -0.433
  248    H    LYS  34           H        LYS  34   3.729  -7.663   0.831
  249    HA   LYS  34           HA       LYS  34   2.659  -5.719   1.231
  250   1HB   LYS  34          2HB       LYS  34   5.139  -5.128   2.792
  251   2HB   LYS  34          1HB       LYS  34   3.991  -3.846   2.439
  252   1HG   LYS  34          2HG       LYS  34   2.914  -4.468   4.275
  253   2HG   LYS  34          1HG       LYS  34   2.401  -5.899   3.376
  254   1HD   LYS  34          2HD       LYS  34   4.850  -6.688   4.167
  255   2HD   LYS  34          1HD       LYS  34   4.424  -5.617   5.502
  256   1HE   LYS  34          2HE       LYS  34   2.221  -6.878   5.602
  257   2HE   LYS  34          1HE       LYS  34   2.973  -8.065   4.538
  258   1HZ   LYS  34          1HZ       LYS  34   4.726  -7.549   6.653
  259   2HZ   LYS  34          2HZ       LYS  34   3.903  -8.992   6.299
  260   3HZ   LYS  34          3HZ       LYS  34   3.194  -7.832   7.315
  261    H    ARG  35           H        ARG  35   3.539  -6.159  -1.240
  262    HA   ARG  35           HA       ARG  35   4.608  -3.517  -2.023
  263   1HB   ARG  35          2HB       ARG  35   4.641  -4.992  -4.346
  264   2HB   ARG  35          1HB       ARG  35   6.023  -4.680  -3.305
  265   1HG   ARG  35          2HG       ARG  35   6.228  -6.904  -3.320
  266   2HG   ARG  35          1HG       ARG  35   4.957  -6.854  -2.097
  267   1HD   ARG  35          2HD       ARG  35   3.539  -7.915  -3.439
  268   2HD   ARG  35          1HD       ARG  35   3.811  -6.747  -4.732
  269    HE   ARG  35           HE       ARG  35   5.429  -8.159  -5.656
  270   1HH1  ARG  35          2HH1      ARG  35   4.212  -9.429  -2.630
  271   2HH1  ARG  35          1HH1      ARG  35   4.733 -11.061  -2.952
  272   1HH2  ARG  35          2HH2      ARG  35   6.152 -10.274  -6.077
  273   2HH2  ARG  35          1HH2      ARG  35   5.870 -11.538  -4.919
  274    H    THR  36           H        THR  36   3.408  -2.161  -3.150
  275    HA   THR  36           HA       THR  36   0.617  -2.878  -3.670
  276    HB   THR  36           HB       THR  36   0.895  -0.183  -4.191
  277    HG1  THR  36           1HG      THR  36   2.147   0.120  -1.925
  278   1HG2  THR  36          1HG2      THR  36   0.131   0.033  -1.736
  279   2HG2  THR  36          2HG2      THR  36   0.159  -1.732  -1.736
  280   3HG2  THR  36          3HG2      THR  36  -0.886  -0.866  -2.864
  281    H    THR  37           H        THR  37  -0.049  -3.276  -5.729
  282    HA   THR  37           HA       THR  37   1.392  -1.938  -7.925
  283    HB   THR  37           HB       THR  37   1.996  -4.239  -8.152
  284    HG1  THR  37           1HG      THR  37   0.028  -4.527  -9.998
  285   1HG2  THR  37          1HG2      THR  37   0.744  -5.980  -7.514
  286   2HG2  THR  37          2HG2      THR  37  -0.626  -5.440  -8.489
  287   3HG2  THR  37          3HG2      THR  37  -0.392  -4.795  -6.863
  288    H    TYR  38           H        TYR  38   0.149  -0.924  -9.418
  289    HA   TYR  38           HA       TYR  38  -2.697  -0.730  -8.859
  290   1HB   TYR  38          2HB       TYR  38  -0.841   0.789 -10.691
  291   2HB   TYR  38          1HB       TYR  38  -2.585   1.030 -10.710
  292    HD1  TYR  38           1HD      TYR  38  -3.722   1.992  -8.728
  293    HD2  TYR  38           2HD      TYR  38   0.515   1.674  -8.934
  294    HE1  TYR  38           1HE      TYR  38  -3.519   3.593  -6.873
  295    HE2  TYR  38           2HE      TYR  38   0.729   3.274  -7.078
  296    HH   TYR  38           HH       TYR  38  -1.552   5.304  -6.136
  297    H    LEU  39           H        LEU  39  -0.728  -2.631 -10.757
  298    HA   LEU  39           HA       LEU  39  -2.879  -3.084 -12.712
  299   1HB   LEU  39          2HB       LEU  39  -0.120  -2.669 -13.103
  300   2HB   LEU  39          1HB       LEU  39  -0.405  -4.369 -13.425
  301    HG   LEU  39           HG       LEU  39  -0.537  -3.029 -15.464
  302   1HD1  LEU  39          1HD1      LEU  39  -2.029  -5.072 -14.985
  303   2HD1  LEU  39          2HD1      LEU  39  -3.337  -3.893 -14.886
  304   3HD1  LEU  39          3HD1      LEU  39  -2.403  -4.052 -16.374
  305   1HD2  LEU  39          1HD2      LEU  39  -1.766  -1.159 -15.721
  306   2HD2  LEU  39          2HD2      LEU  39  -3.085  -1.765 -14.716
  307   3HD2  LEU  39          3HD2      LEU  39  -1.641  -1.092 -13.963
  308    H    ASP  40           H        ASP  40  -3.210  -5.304 -13.377
  309    HA   ASP  40           HA       ASP  40  -3.552  -6.977 -11.112
  310   1HB   ASP  40          2HB       ASP  40  -5.055  -6.890 -13.144
  311   2HB   ASP  40          1HB       ASP  40  -3.820  -7.804 -14.003
  312    HA   PRO  41           HA       PRO  41   0.427  -8.878 -11.228
  313   1HB   PRO  41          2HB       PRO  41  -0.489 -10.844  -9.310
  314   2HB   PRO  41          1HB       PRO  41   0.580  -9.464  -9.060
  315   1HG   PRO  41          2HG       PRO  41  -1.937  -9.624  -8.022
  316   2HG   PRO  41          1HG       PRO  41  -1.133  -8.094  -8.415
  317   1HD   PRO  41          2HD       PRO  41  -3.183  -9.615  -9.984
  318   2HD   PRO  41          1HD       PRO  41  -3.051  -7.867  -9.699
  319    H    ARG  42           H        ARG  42  -2.215 -10.278 -12.633
  320    HA   ARG  42           HA       ARG  42  -1.314 -13.004 -12.733
  321   1HB   ARG  42          2HB       ARG  42  -3.639 -11.559 -13.544
  322   2HB   ARG  42          1HB       ARG  42  -3.049 -12.489 -14.912
  323   1HG   ARG  42          2HG       ARG  42  -4.578 -13.884 -13.809
  324   2HG   ARG  42          1HG       ARG  42  -2.982 -14.483 -13.351
  325   1HD   ARG  42          2HD       ARG  42  -4.579 -14.343 -11.457
  326   2HD   ARG  42          1HD       ARG  42  -3.117 -13.387 -11.226
  327    HE   ARG  42           HE       ARG  42  -4.562 -11.446 -12.038
  328   1HH1  ARG  42          2HH1      ARG  42  -5.842 -14.200 -10.279
  329   2HH1  ARG  42          1HH1      ARG  42  -7.157 -13.304  -9.580
  330   1HH2  ARG  42          2HH2      ARG  42  -6.286 -10.271 -11.146
  331   2HH2  ARG  42          1HH2      ARG  42  -7.436 -11.079 -10.108
  332    H    LEU  43           H        LEU  43  -0.352 -10.205 -14.352
  333    HA   LEU  43           HA       LEU  43   0.312 -11.539 -16.835
  334   1HB   LEU  43          2HB       LEU  43   1.010  -8.730 -15.999
  335   2HB   LEU  43          1HB       LEU  43   1.027  -9.385 -17.625
  336    HG   LEU  43           HG       LEU  43  -1.574  -9.499 -16.227
  337   1HD1  LEU  43          1HD1      LEU  43  -0.565  -7.279 -15.590
  338   2HD1  LEU  43          2HD1      LEU  43  -0.567  -6.880 -17.310
  339   3HD1  LEU  43          3HD1      LEU  43  -2.089  -7.202 -16.477
  340   1HD2  LEU  43          1HD2      LEU  43  -0.482  -9.337 -18.940
  341   2HD2  LEU  43          2HD2      LEU  43  -1.963 -10.093 -18.352
  342   3HD2  LEU  43          3HD2      LEU  43  -1.924  -8.358 -18.676
  343    H    ALA  44           H        ALA  44   2.378  -9.327 -14.978
  344    HA   ALA  44           HA       ALA  44   4.670 -10.834 -15.913
  345   1HB   ALA  44          1HB       ALA  44   4.751  -8.364 -14.219
  346   2HB   ALA  44          2HB       ALA  44   5.979  -8.974 -15.331
  347   3HB   ALA  44          3HB       ALA  44   4.468  -8.313 -15.960
  348    H    PHE  45           H        PHE  45   2.738 -11.175 -13.347
  349    HA   PHE  45           HA       PHE  45   4.938 -12.101 -11.618
  350   1HB   PHE  45          2HB       PHE  45   2.176 -11.319 -10.666
  351   2HB   PHE  45          1HB       PHE  45   3.593 -11.659  -9.680
  352    HD1  PHE  45           1HD      PHE  45   5.180  -9.974  -9.194
  353    HD2  PHE  45           2HD      PHE  45   2.093  -9.237 -12.035
  354    HE1  PHE  45           1HE      PHE  45   5.743  -7.580  -9.180
  355    HE2  PHE  45           2HE      PHE  45   2.647  -6.842 -12.023
  356    HZ   PHE  45           HZ       PHE  45   4.477  -6.010 -10.593
  357    H    THR  46           H        THR  46   2.613 -13.107 -13.672
  358    HA   THR  46           HA       THR  46   1.448 -15.006 -14.060
  359    HB   THR  46           HB       THR  46   3.036 -16.628 -12.139
  360    HG1  THR  46           1HG      THR  46   4.345 -14.828 -13.326
  361   1HG2  THR  46          1HG2      THR  46   2.441 -18.251 -13.550
  362   2HG2  THR  46          2HG2      THR  46   3.149 -17.386 -14.915
  363   3HG2  THR  46          3HG2      THR  46   1.484 -17.062 -14.435
  364    H    VAL  47           H        VAL  47   1.933 -16.793 -11.250
  365    HA   VAL  47           HA       VAL  47  -0.202 -15.587  -9.717
  366    HB   VAL  47           HB       VAL  47  -1.140 -18.147  -9.677
  367   1HG1  VAL  47          1HG1      VAL  47  -2.770 -16.570  -9.745
  368   2HG1  VAL  47          2HG1      VAL  47  -1.987 -15.653 -11.032
  369   3HG1  VAL  47          3HG1      VAL  47  -2.861 -17.136 -11.415
  370   1HG2  VAL  47          1HG2      VAL  47  -0.808 -19.295 -11.553
  371   2HG2  VAL  47          2HG2      VAL  47  -1.236 -17.909 -12.555
  372   3HG2  VAL  47          3HG2      VAL  47   0.421 -18.105 -11.981
  373    H    ASP  48           H        ASP  48   0.428 -15.694  -7.672
  374    HA   ASP  48           HA       ASP  48   2.266 -17.798  -6.832
  375   1HB   ASP  48          2HB       ASP  48   2.487 -16.494  -4.752
  376   2HB   ASP  48          1HB       ASP  48   2.810 -15.505  -6.171
  377    H    ASP  49           H        ASP  49  -0.658 -18.119  -7.434
  378    HA   ASP  49           HA       ASP  49  -1.604 -19.094  -4.831
  379   1HB   ASP  49          2HB       ASP  49  -3.056 -17.488  -6.108
  380   2HB   ASP  49          1HB       ASP  49  -3.199 -18.706  -7.374
  381    H    ASN  50           H        ASN  50  -2.568 -20.161  -8.049
  382    HA   ASN  50           HA       ASN  50  -1.249 -22.737  -7.675
  383   1HB   ASN  50          2HB       ASN  50  -3.169 -23.652  -6.933
  384   2HB   ASN  50          1HB       ASN  50  -4.120 -22.253  -7.410
  385   1HD2  ASN  50          1HD2      ASN  50  -5.543 -22.541  -8.953
  386   2HD2  ASN  50          2HD2      ASN  50  -5.552 -23.847 -10.097
  387    HA   PRO  51           HA       PRO  51  -0.546 -21.816 -11.941
  388   1HB   PRO  51          2HB       PRO  51   1.072 -23.866 -12.519
  389   2HB   PRO  51          1HB       PRO  51   1.575 -22.564 -11.436
  390   1HG   PRO  51          2HG       PRO  51   0.601 -25.310 -10.770
  391   2HG   PRO  51          1HG       PRO  51   1.919 -24.382 -10.033
  392   1HD   PRO  51          2HD       PRO  51  -0.615 -24.617  -8.972
  393   2HD   PRO  51          1HD       PRO  51   0.501 -23.283  -8.622
  394    H    THR  52           H        THR  52  -1.955 -24.862 -10.929
  395    HA   THR  52           HA       THR  52  -3.235 -26.420 -11.972
  396    HB   THR  52           HB       THR  52  -3.528 -24.453 -14.251
  397    HG1  THR  52           1HG      THR  52  -5.043 -24.741 -11.844
  398   1HG2  THR  52          1HG2      THR  52  -4.684 -26.166 -15.132
  399   2HG2  THR  52          2HG2      THR  52  -5.904 -25.800 -13.911
  400   3HG2  THR  52          3HG2      THR  52  -4.699 -27.053 -13.607
  401    H    LYS  53           H        LYS  53  -1.453 -27.814 -12.210
  402    HA   LYS  53           HA       LYS  53  -0.104 -27.764 -14.812
  403   1HB   LYS  53          2HB       LYS  53   0.742 -28.378 -12.157
  404   2HB   LYS  53          1HB       LYS  53   0.929 -29.821 -13.140
  405   1HG   LYS  53          2HG       LYS  53   1.897 -27.353 -14.392
  406   2HG   LYS  53          1HG       LYS  53   2.763 -27.837 -12.934
  407   1HD   LYS  53          2HD       LYS  53   2.243 -30.064 -14.734
  408   2HD   LYS  53          1HD       LYS  53   3.204 -28.788 -15.484
  409   1HE   LYS  53          2HE       LYS  53   4.927 -29.850 -14.509
  410   2HE   LYS  53          1HE       LYS  53   4.409 -28.963 -13.077
  411   1HZ   LYS  53          1HZ       LYS  53   2.952 -31.391 -13.375
  412   2HZ   LYS  53          2HZ       LYS  53   3.875 -30.840 -12.059
  413   3HZ   LYS  53          3HZ       LYS  53   4.623 -31.684 -13.327
  414    HA   PRO  54           HA       PRO  54  -2.717 -31.162 -16.040
  415   1HB   PRO  54          2HB       PRO  54  -1.621 -31.572 -18.474
  416   2HB   PRO  54          1HB       PRO  54  -2.688 -30.207 -18.130
  417   1HG   PRO  54          2HG       PRO  54   0.297 -30.289 -18.305
  418   2HG   PRO  54          1HG       PRO  54  -0.827 -29.048 -18.895
  419   1HD   PRO  54          2HD       PRO  54   0.602 -28.833 -16.568
  420   2HD   PRO  54          1HD       PRO  54  -0.949 -28.024 -16.855
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -9.766  -8.159 -24.813
    2   2H    GLY   1          2H        GLY   1  -9.918  -7.975 -26.493
    3   3H    GLY   1          3H        GLY   1 -10.459  -6.750 -25.452
    4   1HA   GLY   1          2HA       GLY   1  -7.697  -7.498 -26.153
    5   2HA   GLY   1          1HA       GLY   1  -8.457  -5.912 -26.203
    6    H    SER   2           H        SER   2  -5.972  -6.533 -24.939
    7    HA   SER   2           HA       SER   2  -6.504  -6.650 -22.089
    8   1HB   SER   2          2HB       SER   2  -3.763  -6.044 -22.993
    9   2HB   SER   2          1HB       SER   2  -4.337  -7.274 -21.867
   10    HG   SER   2           HG       SER   2  -4.111  -8.643 -23.439
   11    H    ALA   3           H        ALA   3  -7.074  -4.267 -24.038
   12    HA   ALA   3           HA       ALA   3  -5.610  -2.151 -22.694
   13   1HB   ALA   3          1HB       ALA   3  -6.389  -2.265 -25.206
   14   2HB   ALA   3          2HB       ALA   3  -7.877  -1.580 -24.540
   15   3HB   ALA   3          3HB       ALA   3  -6.342  -0.732 -24.333
   16    H    LYS   4           H        LYS   4  -9.078  -2.644 -23.351
   17    HA   LYS   4           HA       LYS   4  -9.614  -1.801 -20.584
   18   1HB   LYS   4          2HB       LYS   4 -10.153  -0.150 -22.597
   19   2HB   LYS   4          1HB       LYS   4 -11.595  -1.148 -22.717
   20   1HG   LYS   4          2HG       LYS   4 -12.427   0.346 -21.260
   21   2HG   LYS   4          1HG       LYS   4 -11.584  -0.650 -20.069
   22   1HD   LYS   4          2HD       LYS   4  -9.778   0.845 -19.935
   23   2HD   LYS   4          1HD       LYS   4 -10.235   1.661 -21.433
   24   1HE   LYS   4          2HE       LYS   4 -12.352   1.761 -19.460
   25   2HE   LYS   4          1HE       LYS   4 -10.853   2.460 -18.844
   26   1HZ   LYS   4          1HZ       LYS   4 -12.162   4.143 -19.927
   27   2HZ   LYS   4          2HZ       LYS   4 -12.257   3.222 -21.349
   28   3HZ   LYS   4          3HZ       LYS   4 -10.766   3.853 -20.849
   29    H    ARG   5           H        ARG   5  -9.574  -4.185 -20.336
   30    HA   ARG   5           HA       ARG   5 -11.769  -5.694 -21.392
   31   1HB   ARG   5          2HB       ARG   5  -9.513  -6.615 -20.572
   32   2HB   ARG   5          1HB       ARG   5 -10.160  -6.426 -18.948
   33   1HG   ARG   5          2HG       ARG   5 -12.065  -7.883 -19.614
   34   2HG   ARG   5          1HG       ARG   5 -11.241  -8.171 -21.147
   35   1HD   ARG   5          2HD       ARG   5  -9.258  -8.716 -19.378
   36   2HD   ARG   5          1HD       ARG   5 -10.675  -9.221 -18.457
   37    HE   ARG   5           HE       ARG   5  -9.646 -10.418 -20.906
   38   1HH1  ARG   5          2HH1      ARG   5 -12.201 -10.301 -18.499
   39   2HH1  ARG   5          1HH1      ARG   5 -12.891 -11.825 -18.970
   40   1HH2  ARG   5          2HH2      ARG   5 -10.549 -12.416 -21.525
   41   2HH2  ARG   5          1HH2      ARG   5 -11.952 -13.029 -20.697
   42    H    LYS   6           H        LYS   6 -13.726  -4.939 -20.867
   43    HA   LYS   6           HA       LYS   6 -14.270  -3.679 -18.354
   44   1HB   LYS   6          2HB       LYS   6 -16.157  -4.504 -20.562
   45   2HB   LYS   6          1HB       LYS   6 -16.544  -3.426 -19.229
   46   1HG   LYS   6          2HG       LYS   6 -15.311  -1.689 -20.087
   47   2HG   LYS   6          1HG       LYS   6 -14.247  -2.759 -21.003
   48   1HD   LYS   6          2HD       LYS   6 -15.478  -2.272 -22.795
   49   2HD   LYS   6          1HD       LYS   6 -16.776  -3.214 -22.062
   50   1HE   LYS   6          2HE       LYS   6 -16.362  -0.318 -21.388
   51   2HE   LYS   6          1HE       LYS   6 -17.298  -0.807 -22.798
   52   1HZ   LYS   6          1HZ       LYS   6 -18.389  -2.327 -20.895
   53   2HZ   LYS   6          2HZ       LYS   6 -18.975  -0.799 -21.334
   54   3HZ   LYS   6          3HZ       LYS   6 -17.962  -0.960 -19.985
   55    H    ARG   7           H        ARG   7 -13.838  -6.799 -18.963
   56    HA   ARG   7           HA       ARG   7 -15.781  -7.619 -16.909
   57   1HB   ARG   7          2HB       ARG   7 -14.498  -9.366 -19.025
   58   2HB   ARG   7          1HB       ARG   7 -15.663  -9.889 -17.814
   59   1HG   ARG   7          2HG       ARG   7 -17.005  -7.854 -19.035
   60   2HG   ARG   7          1HG       ARG   7 -16.085  -8.549 -20.372
   61   1HD   ARG   7          2HD       ARG   7 -16.956 -10.815 -19.447
   62   2HD   ARG   7          1HD       ARG   7 -18.171  -9.814 -18.648
   63    HE   ARG   7           HE       ARG   7 -17.758  -9.904 -21.573
   64   1HH1  ARG   7          2HH1      ARG   7 -19.834  -9.640 -18.755
   65   2HH1  ARG   7          1HH1      ARG   7 -21.293  -9.474 -19.693
   66   1HH2  ARG   7          2HH2      ARG   7 -19.665  -9.664 -22.801
   67   2HH2  ARG   7          1HH2      ARG   7 -21.195  -9.462 -21.992
   68    H    VAL   8           H        VAL   8 -14.382  -7.010 -15.242
   69    HA   VAL   8           HA       VAL   8 -11.823  -8.479 -15.124
   70    HB   VAL   8           HB       VAL   8 -11.621  -6.521 -13.193
   71   1HG1  VAL   8          1HG1      VAL   8  -9.684  -6.641 -14.295
   72   2HG1  VAL   8          2HG1      VAL   8 -10.471  -7.136 -15.794
   73   3HG1  VAL   8          3HG1      VAL   8 -10.364  -5.427 -15.377
   74   1HG2  VAL   8          1HG2      VAL   8 -12.069  -4.462 -14.789
   75   2HG2  VAL   8          2HG2      VAL   8 -13.307  -5.534 -15.437
   76   3HG2  VAL   8          3HG2      VAL   8 -13.329  -5.095 -13.728
   77    H    ALA   9           H        ALA   9 -13.842  -9.985 -14.384
   78    HA   ALA   9           HA       ALA   9 -14.364  -9.770 -11.550
   79   1HB   ALA   9          1HB       ALA   9 -16.194 -10.800 -12.344
   80   2HB   ALA   9          2HB       ALA   9 -15.358 -11.387 -13.780
   81   3HB   ALA   9          3HB       ALA   9 -15.218 -12.268 -12.258
   82    H    GLY  10           H        GLY  10 -11.732  -9.760 -11.736
   83   1HA   GLY  10          1HA       GLY  10 -10.648 -12.457 -11.661
   84   2HA   GLY  10          2HA       GLY  10  -9.734 -10.961 -11.571
   85    H    ASP  11           H        ASP  11  -9.769 -13.459  -9.929
   86    HA   ASP  11           HA       ASP  11 -10.330 -12.288  -7.301
   87   1HB   ASP  11          2HB       ASP  11  -9.644 -15.063  -7.130
   88   2HB   ASP  11          1HB       ASP  11 -11.172 -14.288  -6.725
   89    H    LEU  12           H        LEU  12  -8.689 -12.008  -5.882
   90    HA   LEU  12           HA       LEU  12  -6.021 -12.146  -6.995
   91   1HB   LEU  12          2HB       LEU  12  -6.895 -11.048  -4.323
   92   2HB   LEU  12          1HB       LEU  12  -5.339 -10.822  -5.091
   93    HG   LEU  12           HG       LEU  12  -7.882  -9.843  -6.354
   94   1HD1  LEU  12          1HD1      LEU  12  -8.046  -8.380  -4.668
   95   2HD1  LEU  12          2HD1      LEU  12  -6.460  -8.820  -4.031
   96   3HD1  LEU  12          3HD1      LEU  12  -6.588  -7.640  -5.334
   97   1HD2  LEU  12          1HD2      LEU  12  -4.944  -9.399  -6.771
   98   2HD2  LEU  12          2HD2      LEU  12  -6.172  -9.878  -7.946
   99   3HD2  LEU  12          3HD2      LEU  12  -6.138  -8.224  -7.334
  100    HA   PRO  13           HA       PRO  13  -4.508 -15.693  -4.794
  101   1HB   PRO  13          2HB       PRO  13  -2.070 -14.078  -4.307
  102   2HB   PRO  13          1HB       PRO  13  -2.240 -15.638  -5.105
  103   1HG   PRO  13          2HG       PRO  13  -1.756 -13.431  -6.513
  104   2HG   PRO  13          1HG       PRO  13  -2.849 -14.689  -7.131
  105   1HD   PRO  13          2HD       PRO  13  -3.512 -12.052  -5.863
  106   2HD   PRO  13          1HD       PRO  13  -4.270 -12.859  -7.251
  107    H    TYR  14           H        TYR  14  -3.417 -16.249  -2.716
  108    HA   TYR  14           HA       TYR  14  -5.031 -15.514  -0.610
  109   1HB   TYR  14          2HB       TYR  14  -4.086 -17.503  -0.169
  110   2HB   TYR  14          1HB       TYR  14  -2.604 -17.100  -1.021
  111    HD1  TYR  14           1HD      TYR  14  -4.369 -16.838   2.206
  112    HD2  TYR  14           2HD      TYR  14  -0.671 -16.353   0.161
  113    HE1  TYR  14           1HE      TYR  14  -3.205 -16.648   4.357
  114    HE2  TYR  14           2HE      TYR  14   0.504 -16.174   2.303
  115    HH   TYR  14           HH       TYR  14  -0.388 -17.206   4.968
  116    H    GLY  15           H        GLY  15  -1.839 -14.173  -1.413
  117   1HA   GLY  15          1HA       GLY  15  -1.713 -12.729   1.093
  118   2HA   GLY  15          2HA       GLY  15  -0.530 -12.676  -0.205
  119    H    TRP  16           H        TRP  16  -3.189 -12.098  -1.872
  120    HA   TRP  16           HA       TRP  16  -2.600  -9.258  -1.828
  121   1HB   TRP  16          2HB       TRP  16  -4.050 -10.995  -3.808
  122   2HB   TRP  16          1HB       TRP  16  -3.842  -9.252  -3.991
  123    HD1  TRP  16           HD       TRP  16  -1.852 -12.518  -4.019
  124    HE1  TRP  16           1HE      TRP  16   0.433 -12.112  -5.101
  125    HE3  TRP  16           3HE      TRP  16  -2.158  -7.460  -4.420
  126    HZ2  TRP  16           2HZ      TRP  16   1.917  -9.828  -6.018
  127    HZ3  TRP  16           3HZ      TRP  16  -0.284  -6.226  -5.394
  128    HH2  TRP  16           HH       TRP  16   1.722  -7.385  -6.177
  129    H    GLU  17           H        GLU  17  -3.914  -7.667  -1.354
  130    HA   GLU  17           HA       GLU  17  -6.753  -8.268  -0.817
  131   1HB   GLU  17          2HB       GLU  17  -4.755  -6.595   0.640
  132   2HB   GLU  17          1HB       GLU  17  -6.423  -6.029   0.592
  133   1HG   GLU  17          2HG       GLU  17  -6.380  -8.806   1.268
  134   2HG   GLU  17          1HG       GLU  17  -5.280  -7.921   2.324
  135    H    GLN  18           H        GLN  18  -8.261  -6.895  -1.706
  136    HA   GLN  18           HA       GLN  18  -7.275  -5.068  -3.759
  137   1HB   GLN  18          2HB       GLN  18  -8.950  -6.580  -4.544
  138   2HB   GLN  18          1HB       GLN  18  -9.996  -6.241  -3.170
  139   1HG   GLN  18          2HG       GLN  18 -10.611  -4.156  -4.011
  140   2HG   GLN  18          1HG       GLN  18  -9.262  -4.111  -5.144
  141   1HE2  GLN  18          1HE2      GLN  18  -9.380  -5.339  -7.044
  142   2HE2  GLN  18          2HE2      GLN  18 -10.886  -5.928  -7.647
  143    H    GLU  19           H        GLU  19  -6.788  -3.116  -2.981
  144    HA   GLU  19           HA       GLU  19  -8.635  -1.897  -1.029
  145   1HB   GLU  19          2HB       GLU  19  -5.779  -1.049  -1.415
  146   2HB   GLU  19          1HB       GLU  19  -6.831  -0.744  -0.049
  147   1HG   GLU  19          2HG       GLU  19  -6.574  -3.551  -0.327
  148   2HG   GLU  19          1HG       GLU  19  -4.965  -2.832  -0.429
  149    H    THR  20           H        THR  20  -8.603   0.526  -1.104
  150    HA   THR  20           HA       THR  20  -8.313   1.492  -3.866
  151    HB   THR  20           HB       THR  20 -10.218   2.857  -2.035
  152    HG1  THR  20           1HG      THR  20 -10.571   0.266  -3.130
  153   1HG2  THR  20          1HG2      THR  20 -10.657   3.885  -3.963
  154   2HG2  THR  20          2HG2      THR  20 -11.262   2.360  -4.611
  155   3HG2  THR  20          3HG2      THR  20  -9.563   2.793  -4.816
  156    H    ASP  21           H        ASP  21  -7.297   3.444  -4.160
  157    HA   ASP  21           HA       ASP  21  -5.705   4.374  -1.967
  158   1HB   ASP  21          2HB       ASP  21  -4.397   5.381  -3.529
  159   2HB   ASP  21          1HB       ASP  21  -5.246   4.297  -4.618
  160    H    GLU  22           H        GLU  22  -5.508   6.980  -2.136
  161    HA   GLU  22           HA       GLU  22  -7.752   7.871  -0.643
  162   1HB   GLU  22          2HB       GLU  22  -6.461  10.177  -1.082
  163   2HB   GLU  22          1HB       GLU  22  -5.924   8.990   0.100
  164   1HG   GLU  22          2HG       GLU  22  -4.862   8.433  -2.530
  165   2HG   GLU  22          1HG       GLU  22  -4.435  10.054  -1.976
  166    H    ASN  23           H        ASN  23  -6.901   8.077  -3.995
  167    HA   ASN  23           HA       ASN  23  -8.761  10.231  -4.560
  168   1HB   ASN  23          2HB       ASN  23  -7.013   8.501  -6.308
  169   2HB   ASN  23          1HB       ASN  23  -8.136   9.685  -6.962
  170   1HD2  ASN  23          1HD2      ASN  23  -5.316   9.252  -4.929
  171   2HD2  ASN  23          2HD2      ASN  23  -4.716  10.869  -5.122
  172    H    GLY  24           H        GLY  24  -8.528   6.746  -5.114
  173   1HA   GLY  24          1HA       GLY  24 -10.800   5.648  -4.771
  174   2HA   GLY  24          2HA       GLY  24 -11.345   6.768  -6.018
  175    H    GLN  25           H        GLN  25  -8.164   5.676  -6.422
  176    HA   GLN  25           HA       GLN  25  -8.947   3.955  -8.606
  177   1HB   GLN  25          2HB       GLN  25  -6.715   5.613  -8.048
  178   2HB   GLN  25          1HB       GLN  25  -6.119   3.962  -8.126
  179   1HG   GLN  25          2HG       GLN  25  -7.737   5.330 -10.263
  180   2HG   GLN  25          1HG       GLN  25  -5.987   5.108 -10.281
  181   1HE2  GLN  25          1HE2      GLN  25  -5.165   3.242 -11.022
  182   2HE2  GLN  25          2HE2      GLN  25  -6.113   1.870 -11.509
  183    H    VAL  26           H        VAL  26  -9.032   1.775  -8.430
  184    HA   VAL  26           HA       VAL  26  -8.382   0.610  -5.885
  185    HB   VAL  26           HB       VAL  26 -10.353  -0.030  -7.465
  186   1HG1  VAL  26          1HG1      VAL  26 -10.018  -1.483  -9.164
  187   2HG1  VAL  26          2HG1      VAL  26  -8.409  -0.760  -9.173
  188   3HG1  VAL  26          3HG1      VAL  26  -8.683  -2.289  -8.337
  189   1HG2  VAL  26          1HG2      VAL  26  -9.028  -2.411  -6.288
  190   2HG2  VAL  26          2HG2      VAL  26  -9.416  -1.048  -5.230
  191   3HG2  VAL  26          3HG2      VAL  26 -10.699  -1.849  -6.142
  192    H    PHE  27           H        PHE  27  -7.016  -1.141  -5.565
  193    HA   PHE  27           HA       PHE  27  -5.032  -1.839  -7.521
  194   1HB   PHE  27          2HB       PHE  27  -3.097  -1.012  -6.266
  195   2HB   PHE  27          1HB       PHE  27  -4.144   0.330  -6.705
  196    HD1  PHE  27           1HD      PHE  27  -2.917  -1.746  -3.955
  197    HD2  PHE  27           2HD      PHE  27  -5.335   1.587  -5.024
  198    HE1  PHE  27           1HE      PHE  27  -3.006  -1.061  -1.607
  199    HE2  PHE  27           2HE      PHE  27  -5.426   2.272  -2.676
  200    HZ   PHE  27           HZ       PHE  27  -4.278   0.946  -0.959
  201    H    PHE  28           H        PHE  28  -3.426  -3.336  -6.568
  202    HA   PHE  28           HA       PHE  28  -4.687  -4.927  -4.432
  203   1HB   PHE  28          2HB       PHE  28  -2.923  -6.068  -6.584
  204   2HB   PHE  28          1HB       PHE  28  -4.097  -6.899  -5.572
  205    HD1  PHE  28           1HD      PHE  28  -6.569  -5.676  -5.843
  206    HD2  PHE  28           2HD      PHE  28  -3.508  -5.949  -8.784
  207    HE1  PHE  28           1HE      PHE  28  -8.246  -5.430  -7.602
  208    HE2  PHE  28           2HE      PHE  28  -5.185  -5.689 -10.557
  209    HZ   PHE  28           HZ       PHE  28  -7.565  -5.427  -9.971
  210    H    VAL  29           H        VAL  29  -3.421  -5.501  -2.745
  211    HA   VAL  29           HA       VAL  29  -0.543  -4.968  -2.991
  212    HB   VAL  29           HB       VAL  29  -0.876  -3.181  -1.677
  213   1HG1  VAL  29          1HG1      VAL  29  -3.084  -2.773  -1.648
  214   2HG1  VAL  29          2HG1      VAL  29  -3.499  -4.419  -1.167
  215   3HG1  VAL  29          3HG1      VAL  29  -2.917  -3.266   0.038
  216   1HG2  VAL  29          1HG2      VAL  29  -1.106  -5.382   0.364
  217   2HG2  VAL  29          2HG2      VAL  29   0.351  -4.523  -0.140
  218   3HG2  VAL  29          3HG2      VAL  29  -0.894  -3.684   0.788
  219    H    ASP  30           H        ASP  30   0.627  -6.646  -2.553
  220    HA   ASP  30           HA       ASP  30  -0.339  -8.967  -1.186
  221   1HB   ASP  30          2HB       ASP  30   1.334  -9.479  -2.738
  222   2HB   ASP  30          1HB       ASP  30   2.300  -8.069  -2.313
  223    H    HIS  31           H        HIS  31  -0.606  -9.042   0.965
  224    HA   HIS  31           HA       HIS  31   0.563  -6.886   2.517
  225   1HB   HIS  31          2HB       HIS  31  -1.710  -8.751   2.893
  226   2HB   HIS  31          1HB       HIS  31  -0.913  -8.150   4.348
  227    HD1  HIS  31           1HD      HIS  31  -0.736  -5.435   4.485
  228    HD2  HIS  31           2HD      HIS  31  -3.507  -7.015   1.819
  229    HE1  HIS  31           1HE      HIS  31  -2.226  -3.517   3.837
  230    HE2  HIS  31           2HE      HIS  31  -3.987  -4.518   2.337
  231    H    ILE  32           H        ILE  32   1.619  -9.871   1.685
  232    HA   ILE  32           HA       ILE  32   2.810 -10.595   4.217
  233    HB   ILE  32           HB       ILE  32   3.731 -11.557   1.512
  234   1HG1  ILE  32          1HG1      ILE  32   1.169 -11.706   1.942
  235   2HG1  ILE  32          2HG1      ILE  32   2.042 -13.136   1.343
  236   1HG2  ILE  32          1HG2      ILE  32   3.922 -12.575   4.321
  237   2HG2  ILE  32          2HG2      ILE  32   4.095 -13.666   2.947
  238   3HG2  ILE  32          3HG2      ILE  32   5.204 -12.309   3.140
  239   1HD1  ILE  32          1HD1      ILE  32   2.206 -13.691   3.911
  240   2HD1  ILE  32          2HD1      ILE  32   0.788 -12.646   4.000
  241   3HD1  ILE  32          3HD1      ILE  32   0.762 -14.082   2.977
  242    H    ASN  33           H        ASN  33   3.911  -9.221   1.140
  243    HA   ASN  33           HA       ASN  33   6.447  -8.429   2.393
  244   1HB   ASN  33          2HB       ASN  33   5.615  -8.542  -0.514
  245   2HB   ASN  33          1HB       ASN  33   7.183  -7.990   0.048
  246   1HD2  ASN  33          1HD2      ASN  33   5.168 -10.685  -0.561
  247   2HD2  ASN  33          2HD2      ASN  33   6.356 -11.901  -0.209
  248    H    LYS  34           H        LYS  34   3.454  -7.180   1.583
  249    HA   LYS  34           HA       LYS  34   2.532  -5.122   1.649
  250   1HB   LYS  34          2HB       LYS  34   4.976  -4.815   3.212
  251   2HB   LYS  34          1HB       LYS  34   4.460  -3.312   2.457
  252   1HG   LYS  34          2HG       LYS  34   3.524  -3.492   4.671
  253   2HG   LYS  34          1HG       LYS  34   2.241  -3.583   3.463
  254   1HD   LYS  34          2HD       LYS  34   1.566  -5.409   4.561
  255   2HD   LYS  34          1HD       LYS  34   2.942  -6.216   3.802
  256   1HE   LYS  34          2HE       LYS  34   4.273  -5.288   5.831
  257   2HE   LYS  34          1HE       LYS  34   2.684  -5.109   6.571
  258   1HZ   LYS  34          1HZ       LYS  34   4.252  -7.423   6.347
  259   2HZ   LYS  34          2HZ       LYS  34   2.828  -7.666   5.452
  260   3HZ   LYS  34          3HZ       LYS  34   2.733  -7.243   7.087
  261    H    ARG  35           H        ARG  35   2.984  -5.739  -0.776
  262    HA   ARG  35           HA       ARG  35   4.318  -3.399  -1.972
  263   1HB   ARG  35          2HB       ARG  35   4.369  -5.148  -4.025
  264   2HB   ARG  35          1HB       ARG  35   5.698  -4.934  -2.897
  265   1HG   ARG  35          2HG       ARG  35   5.307  -6.928  -1.844
  266   2HG   ARG  35          1HG       ARG  35   3.585  -6.925  -2.246
  267   1HD   ARG  35          2HD       ARG  35   3.997  -7.589  -4.468
  268   2HD   ARG  35          1HD       ARG  35   5.717  -7.223  -4.345
  269    HE   ARG  35           HE       ARG  35   4.662  -9.324  -2.602
  270   1HH1  ARG  35          2HH1      ARG  35   6.436  -8.460  -5.505
  271   2HH1  ARG  35          1HH1      ARG  35   7.146 -10.033  -5.709
  272   1HH2  ARG  35          2HH2      ARG  35   5.642 -11.374  -2.821
  273   2HH2  ARG  35          1HH2      ARG  35   6.727 -11.676  -4.142
  274    H    THR  36           H        THR  36   3.076  -2.143  -3.129
  275    HA   THR  36           HA       THR  36   0.325  -2.963  -3.676
  276    HB   THR  36           HB       THR  36   0.348  -0.369  -4.343
  277    HG1  THR  36           1HG      THR  36   2.354   0.294  -3.942
  278   1HG2  THR  36          1HG2      THR  36  -0.236   0.133  -1.964
  279   2HG2  THR  36          2HG2      THR  36   0.258  -1.510  -1.553
  280   3HG2  THR  36          3HG2      THR  36  -1.098  -1.243  -2.650
  281    H    THR  37           H        THR  37  -0.325  -3.448  -5.706
  282    HA   THR  37           HA       THR  37   1.128  -2.193  -7.938
  283    HB   THR  37           HB       THR  37   1.666  -4.568  -7.998
  284    HG1  THR  37           1HG      THR  37  -0.111  -4.747 -10.033
  285   1HG2  THR  37          1HG2      THR  37  -1.001  -5.568  -8.605
  286   2HG2  THR  37          2HG2      THR  37  -0.851  -4.981  -6.949
  287   3HG2  THR  37          3HG2      THR  37   0.241  -6.234  -7.544
  288    H    TYR  38           H        TYR  38  -0.096  -1.093  -9.341
  289    HA   TYR  38           HA       TYR  38  -2.956  -0.973  -8.793
  290   1HB   TYR  38          2HB       TYR  38  -1.073   0.813 -10.327
  291   2HB   TYR  38          1HB       TYR  38  -2.824   1.027 -10.382
  292    HD1  TYR  38           1HD      TYR  38  -3.878   2.322  -8.742
  293    HD2  TYR  38           2HD      TYR  38   0.013   0.778  -7.972
  294    HE1  TYR  38           1HE      TYR  38  -3.795   3.593  -6.636
  295    HE2  TYR  38           2HE      TYR  38   0.104   2.046  -5.871
  296    HH   TYR  38           HH       TYR  38  -1.860   4.543  -5.121
  297    H    LEU  39           H        LEU  39  -0.976  -2.706 -10.692
  298    HA   LEU  39           HA       LEU  39  -3.065  -3.119 -12.716
  299   1HB   LEU  39          2HB       LEU  39  -0.754  -2.361 -13.478
  300   2HB   LEU  39          1HB       LEU  39  -0.201  -3.946 -12.971
  301    HG   LEU  39           HG       LEU  39  -2.510  -4.196 -14.666
  302   1HD1  LEU  39          1HD1      LEU  39  -0.148  -2.693 -15.766
  303   2HD1  LEU  39          2HD1      LEU  39  -1.406  -3.452 -16.744
  304   3HD1  LEU  39          3HD1      LEU  39  -1.814  -2.123 -15.660
  305   1HD2  LEU  39          1HD2      LEU  39  -1.339  -5.971 -15.405
  306   2HD2  LEU  39          2HD2      LEU  39   0.180  -5.078 -15.478
  307   3HD2  LEU  39          3HD2      LEU  39  -0.422  -5.666 -13.929
  308    H    ASP  40           H        ASP  40  -3.276  -5.391 -13.399
  309    HA   ASP  40           HA       ASP  40  -3.720  -6.968 -11.068
  310   1HB   ASP  40          2HB       ASP  40  -5.187  -7.011 -13.087
  311   2HB   ASP  40          1HB       ASP  40  -3.909  -7.871 -13.947
  312    HA   PRO  41           HA       PRO  41   0.222  -8.980 -10.905
  313   1HB   PRO  41          2HB       PRO  41  -0.962 -10.845  -8.997
  314   2HB   PRO  41          1HB       PRO  41   0.250  -9.591  -8.731
  315   1HG   PRO  41          2HG       PRO  41  -2.261  -9.400  -7.762
  316   2HG   PRO  41          1HG       PRO  41  -1.324  -7.981  -8.267
  317   1HD   PRO  41          2HD       PRO  41  -3.463  -9.462  -9.766
  318   2HD   PRO  41          1HD       PRO  41  -3.229  -7.709  -9.574
  319    H    ARG  42           H        ARG  42  -1.884 -10.016 -12.878
  320    HA   ARG  42           HA       ARG  42  -0.992 -12.822 -12.926
  321   1HB   ARG  42          2HB       ARG  42  -3.460 -11.556 -13.581
  322   2HB   ARG  42          1HB       ARG  42  -2.795 -12.238 -15.059
  323   1HG   ARG  42          2HG       ARG  42  -4.116 -13.933 -14.192
  324   2HG   ARG  42          1HG       ARG  42  -2.481 -14.382 -13.704
  325   1HD   ARG  42          2HD       ARG  42  -4.289 -14.587 -11.940
  326   2HD   ARG  42          1HD       ARG  42  -2.840 -13.692 -11.486
  327    HE   ARG  42           HE       ARG  42  -4.321 -11.660 -12.203
  328   1HH1  ARG  42          2HH1      ARG  42  -5.444 -14.568 -10.594
  329   2HH1  ARG  42          1HH1      ARG  42  -6.665 -13.738  -9.673
  330   1HH2  ARG  42          2HH2      ARG  42  -5.950 -10.565 -11.061
  331   2HH2  ARG  42          1HH2      ARG  42  -6.979 -11.456  -9.971
  332    H    LEU  43           H        LEU  43  -0.566  -9.763 -14.434
  333    HA   LEU  43           HA       LEU  43   0.074 -10.574 -17.042
  334   1HB   LEU  43          2HB       LEU  43   0.669  -8.122 -15.411
  335   2HB   LEU  43          1HB       LEU  43   1.247  -8.291 -17.053
  336    HG   LEU  43           HG       LEU  43  -0.947  -6.993 -16.538
  337   1HD1  LEU  43          1HD1      LEU  43  -1.864  -7.873 -18.760
  338   2HD1  LEU  43          2HD1      LEU  43  -0.258  -7.146 -18.748
  339   3HD1  LEU  43          3HD1      LEU  43  -0.431  -8.898 -18.774
  340   1HD2  LEU  43          1HD2      LEU  43  -2.355  -8.393 -15.418
  341   2HD2  LEU  43          2HD2      LEU  43  -2.886  -8.662 -17.080
  342   3HD2  LEU  43          3HD2      LEU  43  -1.812  -9.823 -16.294
  343    H    ALA  44           H        ALA  44   2.518  -8.802 -15.293
  344    HA   ALA  44           HA       ALA  44   4.548 -10.504 -16.465
  345   1HB   ALA  44          1HB       ALA  44   4.556  -7.861 -15.072
  346   2HB   ALA  44          2HB       ALA  44   6.065  -8.750 -15.300
  347   3HB   ALA  44          3HB       ALA  44   5.100  -8.271 -16.699
  348    H    PHE  45           H        PHE  45   2.765 -11.001 -13.935
  349    HA   PHE  45           HA       PHE  45   4.925 -11.696 -12.072
  350   1HB   PHE  45          2HB       PHE  45   1.956 -11.644 -11.499
  351   2HB   PHE  45          1HB       PHE  45   3.268 -11.713 -10.329
  352    HD1  PHE  45           1HD      PHE  45   4.249  -9.756  -9.501
  353    HD2  PHE  45           2HD      PHE  45   1.634  -9.547 -12.847
  354    HE1  PHE  45           1HE      PHE  45   4.217  -7.303  -9.317
  355    HE2  PHE  45           2HE      PHE  45   1.593  -7.094 -12.680
  356    HZ   PHE  45           HZ       PHE  45   2.889  -5.965 -10.907
  357    H    THR  46           H        THR  46   3.292 -13.022 -14.517
  358    HA   THR  46           HA       THR  46   3.603 -15.728 -13.452
  359    HB   THR  46           HB       THR  46   1.217 -14.888 -15.115
  360    HG1  THR  46           1HG      THR  46   1.656 -14.633 -12.469
  361   1HG2  THR  46          1HG2      THR  46   0.732 -17.269 -13.720
  362   2HG2  THR  46          2HG2      THR  46   2.352 -17.435 -14.391
  363   3HG2  THR  46          3HG2      THR  46   0.990 -17.085 -15.452
  364    H    VAL  47           H        VAL  47   4.531 -17.132 -14.898
  365    HA   VAL  47           HA       VAL  47   5.340 -15.932 -17.457
  366    HB   VAL  47           HB       VAL  47   7.063 -17.685 -17.547
  367   1HG1  VAL  47          1HG1      VAL  47   7.784 -16.828 -14.939
  368   2HG1  VAL  47          2HG1      VAL  47   8.332 -16.203 -16.493
  369   3HG1  VAL  47          3HG1      VAL  47   6.897 -15.521 -15.725
  370   1HG2  VAL  47          1HG2      VAL  47   5.483 -19.124 -15.886
  371   2HG2  VAL  47          2HG2      VAL  47   7.199 -19.444 -16.143
  372   3HG2  VAL  47          3HG2      VAL  47   6.676 -18.503 -14.748
  373    H    ASP  48           H        ASP  48   2.751 -17.402 -16.703
  374    HA   ASP  48           HA       ASP  48   2.757 -19.211 -19.014
  375   1HB   ASP  48          2HB       ASP  48   2.802 -20.369 -16.704
  376   2HB   ASP  48          1HB       ASP  48   1.148 -19.794 -16.534
  377    H    ASP  49           H        ASP  49   0.514 -19.656 -19.801
  378    HA   ASP  49           HA       ASP  49  -0.907 -17.228 -20.224
  379   1HB   ASP  49          2HB       ASP  49  -0.806 -19.578 -21.555
  380   2HB   ASP  49          1HB       ASP  49  -2.313 -19.808 -20.677
  381    H    ASN  50           H        ASN  50  -1.311 -19.959 -18.086
  382    HA   ASN  50           HA       ASN  50  -3.243 -18.396 -16.540
  383   1HB   ASN  50          2HB       ASN  50  -4.624 -20.028 -17.625
  384   2HB   ASN  50          1HB       ASN  50  -3.473 -21.317 -17.289
  385   1HD2  ASN  50          1HD2      ASN  50  -4.064 -22.617 -15.718
  386   2HD2  ASN  50          2HD2      ASN  50  -5.036 -22.194 -14.347
  387    HA   PRO  51           HA       PRO  51  -0.065 -19.216 -13.471
  388   1HB   PRO  51          2HB       PRO  51  -1.587 -18.191 -11.389
  389   2HB   PRO  51          1HB       PRO  51  -0.504 -17.247 -12.417
  390   1HG   PRO  51          2HG       PRO  51  -3.463 -17.560 -12.564
  391   2HG   PRO  51          1HG       PRO  51  -2.465 -16.131 -12.881
  392   1HD   PRO  51          2HD       PRO  51  -3.532 -17.600 -14.868
  393   2HD   PRO  51          1HD       PRO  51  -1.950 -16.813 -15.025
  394    H    THR  52           H        THR  52   0.256 -20.814 -12.008
  395    HA   THR  52           HA       THR  52  -1.507 -23.012 -12.044
  396    HB   THR  52           HB       THR  52   0.507 -22.861  -9.881
  397    HG1  THR  52           1HG      THR  52   1.140 -22.674 -12.660
  398   1HG2  THR  52          1HG2      THR  52  -0.133 -25.027 -10.101
  399   2HG2  THR  52          2HG2      THR  52   1.110 -25.027 -11.355
  400   3HG2  THR  52          3HG2      THR  52  -0.587 -24.831 -11.793
  401    H    LYS  53           H        LYS  53  -3.433 -22.985 -11.075
  402    HA   LYS  53           HA       LYS  53  -3.666 -21.749  -8.415
  403   1HB   LYS  53          2HB       LYS  53  -5.100 -21.043 -10.508
  404   2HB   LYS  53          1HB       LYS  53  -6.033 -22.472 -10.097
  405   1HG   LYS  53          2HG       LYS  53  -6.268 -21.530  -7.782
  406   2HG   LYS  53          1HG       LYS  53  -5.568 -20.036  -8.403
  407   1HD   LYS  53          2HD       LYS  53  -7.373 -19.769  -9.963
  408   2HD   LYS  53          1HD       LYS  53  -8.017 -21.359  -9.558
  409   1HE   LYS  53          2HE       LYS  53  -7.731 -19.737  -7.194
  410   2HE   LYS  53          1HE       LYS  53  -8.709 -18.908  -8.404
  411   1HZ   LYS  53          1HZ       LYS  53  -9.836 -21.260  -8.550
  412   2HZ   LYS  53          2HZ       LYS  53 -10.300 -20.135  -7.371
  413   3HZ   LYS  53          3HZ       LYS  53  -9.244 -21.403  -6.966
  414    HA   PRO  54           HA       PRO  54  -4.361 -25.899  -6.883
  415   1HB   PRO  54          2HB       PRO  54  -5.007 -24.665  -4.331
  416   2HB   PRO  54          1HB       PRO  54  -3.592 -25.625  -4.770
  417   1HG   PRO  54          2HG       PRO  54  -3.472 -22.961  -4.225
  418   2HG   PRO  54          1HG       PRO  54  -2.350 -23.775  -5.330
  419   1HD   PRO  54          2HD       PRO  54  -4.783 -22.134  -5.959
  420   2HD   PRO  54          1HD       PRO  54  -3.194 -22.140  -6.756
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -29.366  -5.344   0.786
    2   2H    GLY   1          2H        GLY   1 -29.451  -5.861  -0.827
    3   3H    GLY   1          3H        GLY   1 -28.474  -4.543  -0.412
    4   1HA   GLY   1          2HA       GLY   1 -26.756  -5.831   0.044
    5   2HA   GLY   1          1HA       GLY   1 -27.748  -6.799   1.129
    6    H    SER   2           H        SER   2 -27.307  -6.237  -2.360
    7    HA   SER   2           HA       SER   2 -28.311  -8.811  -3.075
    8   1HB   SER   2          2HB       SER   2 -26.762  -7.649  -5.179
    9   2HB   SER   2          1HB       SER   2 -28.520  -7.746  -5.038
   10    HG   SER   2           HG       SER   2 -28.085  -5.595  -5.100
   11    H    ALA   3           H        ALA   3 -25.095  -7.353  -2.792
   12    HA   ALA   3           HA       ALA   3 -23.868  -9.905  -3.530
   13   1HB   ALA   3          1HB       ALA   3 -21.999  -7.817  -2.824
   14   2HB   ALA   3          2HB       ALA   3 -22.184  -8.693  -4.343
   15   3HB   ALA   3          3HB       ALA   3 -23.161  -7.259  -4.029
   16    H    LYS   4           H        LYS   4 -22.912 -11.220  -2.091
   17    HA   LYS   4           HA       LYS   4 -22.614 -10.219   0.664
   18   1HB   LYS   4          2HB       LYS   4 -24.060 -12.553  -0.353
   19   2HB   LYS   4          1HB       LYS   4 -22.927 -12.947   0.932
   20   1HG   LYS   4          2HG       LYS   4 -24.083 -10.822   2.048
   21   2HG   LYS   4          1HG       LYS   4 -25.411 -11.348   1.015
   22   1HD   LYS   4          2HD       LYS   4 -25.540 -13.447   2.058
   23   2HD   LYS   4          1HD       LYS   4 -23.953 -13.264   2.808
   24   1HE   LYS   4          2HE       LYS   4 -25.308 -12.835   4.601
   25   2HE   LYS   4          1HE       LYS   4 -25.089 -11.204   3.970
   26   1HZ   LYS   4          1HZ       LYS   4 -27.467 -12.884   3.994
   27   2HZ   LYS   4          2HZ       LYS   4 -27.235 -11.940   2.610
   28   3HZ   LYS   4          3HZ       LYS   4 -27.325 -11.202   4.134
   29    H    ARG   5           H        ARG   5 -20.448  -9.705  -0.031
   30    HA   ARG   5           HA       ARG   5 -18.670 -11.823  -0.803
   31   1HB   ARG   5          2HB       ARG   5 -18.435  -8.902  -0.285
   32   2HB   ARG   5          1HB       ARG   5 -16.972  -9.871  -0.152
   33   1HG   ARG   5          2HG       ARG   5 -17.134 -10.584  -2.410
   34   2HG   ARG   5          1HG       ARG   5 -18.756  -9.906  -2.572
   35   1HD   ARG   5          2HD       ARG   5 -16.500  -8.112  -1.818
   36   2HD   ARG   5          1HD       ARG   5 -16.656  -8.632  -3.496
   37    HE   ARG   5           HE       ARG   5 -18.953  -7.396  -2.136
   38   1HH1  ARG   5          2HH1      ARG   5 -16.484  -7.306  -4.631
   39   2HH1  ARG   5          1HH1      ARG   5 -17.198  -5.951  -5.461
   40   1HH2  ARG   5          2HH2      ARG   5 -19.903  -5.629  -3.243
   41   2HH2  ARG   5          1HH2      ARG   5 -19.159  -5.024  -4.689
   42    H    LYS   6           H        LYS   6 -16.976 -12.684   0.432
   43    HA   LYS   6           HA       LYS   6 -17.636 -12.835   3.273
   44   1HB   LYS   6          2HB       LYS   6 -16.476 -14.646   1.299
   45   2HB   LYS   6          1HB       LYS   6 -15.564 -14.618   2.804
   46   1HG   LYS   6          2HG       LYS   6 -17.554 -15.174   4.059
   47   2HG   LYS   6          1HG       LYS   6 -18.524 -15.118   2.586
   48   1HD   LYS   6          2HD       LYS   6 -16.382 -16.858   2.054
   49   2HD   LYS   6          1HD       LYS   6 -16.972 -17.281   3.662
   50   1HE   LYS   6          2HE       LYS   6 -19.045 -16.807   1.621
   51   2HE   LYS   6          1HE       LYS   6 -18.027 -18.224   1.361
   52   1HZ   LYS   6          1HZ       LYS   6 -19.847 -17.639   3.605
   53   2HZ   LYS   6          2HZ       LYS   6 -18.558 -18.726   3.810
   54   3HZ   LYS   6          3HZ       LYS   6 -19.752 -19.032   2.642
   55    H    ARG   7           H        ARG   7 -15.892 -10.849   1.531
   56    HA   ARG   7           HA       ARG   7 -14.302  -9.314   2.026
   57   1HB   ARG   7          2HB       ARG   7 -14.669 -10.566   4.715
   58   2HB   ARG   7          1HB       ARG   7 -13.287  -9.511   4.456
   59   1HG   ARG   7          2HG       ARG   7 -14.990  -8.156   5.355
   60   2HG   ARG   7          1HG       ARG   7 -14.923  -7.770   3.636
   61   1HD   ARG   7          2HD       ARG   7 -17.095  -8.222   3.491
   62   2HD   ARG   7          1HD       ARG   7 -16.739  -9.900   3.902
   63    HE   ARG   7           HE       ARG   7 -17.009  -8.056   6.136
   64   1HH1  ARG   7          2HH1      ARG   7 -18.619 -10.388   4.059
   65   2HH1  ARG   7          1HH1      ARG   7 -19.831 -10.771   5.240
   66   1HH2  ARG   7          2HH2      ARG   7 -18.629  -8.547   7.658
   67   2HH2  ARG   7          1HH2      ARG   7 -19.868  -9.708   7.262
   68    H    VAL   8           H        VAL   8 -13.619 -11.501   0.599
   69    HA   VAL   8           HA       VAL   8 -10.758 -11.580   1.163
   70    HB   VAL   8           HB       VAL   8 -12.079 -13.751   1.911
   71   1HG1  VAL   8          1HG1      VAL   8 -11.444 -14.610  -0.879
   72   2HG1  VAL   8          2HG1      VAL   8 -12.484 -15.376   0.318
   73   3HG1  VAL   8          3HG1      VAL   8 -13.019 -13.911  -0.504
   74   1HG2  VAL   8          1HG2      VAL   8  -9.882 -14.005   2.299
   75   2HG2  VAL   8          2HG2      VAL   8  -9.944 -15.016   0.855
   76   3HG2  VAL   8          3HG2      VAL   8  -9.420 -13.335   0.735
   77    H    ALA   9           H        ALA   9  -9.501 -12.122  -0.813
   78    HA   ALA   9           HA       ALA   9 -10.661 -10.693  -3.009
   79   1HB   ALA   9          1HB       ALA   9  -7.999 -11.518  -2.199
   80   2HB   ALA   9          2HB       ALA   9  -8.262 -11.692  -3.934
   81   3HB   ALA   9          3HB       ALA   9  -8.515 -10.131  -3.156
   82    H    GLY  10           H        GLY  10  -8.993 -13.865  -3.041
   83   1HA   GLY  10          1HA       GLY  10  -9.648 -15.837  -4.088
   84   2HA   GLY  10          2HA       GLY  10 -11.170 -15.069  -4.525
   85    H    ASP  11           H        ASP  11 -10.505 -12.970  -6.018
   86    HA   ASP  11           HA       ASP  11  -9.607 -13.970  -8.503
   87   1HB   ASP  11          2HB       ASP  11 -11.037 -11.970  -8.290
   88   2HB   ASP  11          1HB       ASP  11  -9.711 -11.103  -7.527
   89    H    LEU  12           H        LEU  12  -8.045 -12.023  -6.018
   90    HA   LEU  12           HA       LEU  12  -5.457 -12.196  -7.305
   91   1HB   LEU  12          2HB       LEU  12  -6.128 -11.128  -4.564
   92   2HB   LEU  12          1HB       LEU  12  -4.679 -10.816  -5.495
   93    HG   LEU  12           HG       LEU  12  -7.335  -9.960  -6.576
   94   1HD1  LEU  12          1HD1      LEU  12  -5.889  -8.823  -4.249
   95   2HD1  LEU  12          2HD1      LEU  12  -6.561  -7.698  -5.428
   96   3HD1  LEU  12          3HD1      LEU  12  -7.615  -8.851  -4.609
   97   1HD2  LEU  12          1HD2      LEU  12  -5.691  -9.613  -8.151
   98   2HD2  LEU  12          2HD2      LEU  12  -5.708  -8.058  -7.312
   99   3HD2  LEU  12          3HD2      LEU  12  -4.458  -9.252  -6.940
  100    HA   PRO  13           HA       PRO  13  -3.767 -15.665  -4.999
  101   1HB   PRO  13          2HB       PRO  13  -1.584 -13.781  -4.237
  102   2HB   PRO  13          1HB       PRO  13  -1.484 -15.392  -4.954
  103   1HG   PRO  13          2HG       PRO  13  -1.046 -13.245  -6.445
  104   2HG   PRO  13          1HG       PRO  13  -1.972 -14.614  -7.091
  105   1HD   PRO  13          2HD       PRO  13  -2.953 -11.974  -6.075
  106   2HD   PRO  13          1HD       PRO  13  -3.520 -12.930  -7.461
  107    H    TYR  14           H        TYR  14  -2.786 -16.102  -2.754
  108    HA   TYR  14           HA       TYR  14  -4.799 -15.431  -0.914
  109   1HB   TYR  14          2HB       TYR  14  -3.906 -17.458  -0.396
  110   2HB   TYR  14          1HB       TYR  14  -2.289 -17.000  -0.913
  111    HD1  TYR  14           1HD      TYR  14  -4.711 -16.816   1.871
  112    HD2  TYR  14           2HD      TYR  14  -0.683 -16.238   0.645
  113    HE1  TYR  14           1HE      TYR  14  -4.037 -16.582   4.221
  114    HE2  TYR  14           2HE      TYR  14   0.006 -16.003   2.985
  115    HH   TYR  14           HH       TYR  14  -0.935 -16.834   5.286
  116    H    GLY  15           H        GLY  15  -1.532 -14.183  -1.333
  117   1HA   GLY  15          1HA       GLY  15  -1.516 -12.732   1.130
  118   2HA   GLY  15          2HA       GLY  15  -0.338 -12.609  -0.173
  119    H    TRP  16           H        TRP  16  -2.665 -11.993  -2.041
  120    HA   TRP  16           HA       TRP  16  -2.231  -9.162  -1.776
  121   1HB   TRP  16          2HB       TRP  16  -3.538 -10.845  -3.899
  122   2HB   TRP  16          1HB       TRP  16  -3.449  -9.085  -3.985
  123    HD1  TRP  16           HD       TRP  16  -1.251 -12.193  -4.139
  124    HE1  TRP  16           1HE      TRP  16   1.027 -11.581  -5.134
  125    HE3  TRP  16           3HE      TRP  16  -1.870  -7.150  -4.232
  126    HZ2  TRP  16           2HZ      TRP  16   2.382  -9.159  -5.868
  127    HZ3  TRP  16           3HZ      TRP  16  -0.044  -5.741  -5.066
  128    HH2  TRP  16           HH       TRP  16   2.042  -6.729  -5.873
  129    H    GLU  17           H        GLU  17  -3.581  -7.609  -1.321
  130    HA   GLU  17           HA       GLU  17  -6.411  -8.245  -0.819
  131   1HB   GLU  17          2HB       GLU  17  -4.447  -7.018   0.847
  132   2HB   GLU  17          1HB       GLU  17  -5.644  -5.805   0.432
  133   1HG   GLU  17          2HG       GLU  17  -7.291  -7.781   1.088
  134   2HG   GLU  17          1HG       GLU  17  -5.902  -8.244   2.074
  135    H    GLN  18           H        GLN  18  -7.933  -6.638  -1.414
  136    HA   GLN  18           HA       GLN  18  -6.957  -4.821  -3.511
  137   1HB   GLN  18          2HB       GLN  18  -8.523  -6.388  -4.387
  138   2HB   GLN  18          1HB       GLN  18  -9.624  -6.147  -3.038
  139   1HG   GLN  18          2HG       GLN  18 -10.110  -3.896  -3.810
  140   2HG   GLN  18          1HG       GLN  18  -8.976  -4.095  -5.144
  141   1HE2  GLN  18          1HE2      GLN  18 -10.163  -4.174  -6.924
  142   2HE2  GLN  18          2HE2      GLN  18 -11.542  -5.182  -7.169
  143    H    GLU  19           H        GLU  19  -6.609  -2.852  -2.676
  144    HA   GLU  19           HA       GLU  19  -8.574  -1.750  -0.772
  145   1HB   GLU  19          2HB       GLU  19  -5.723  -0.852  -1.226
  146   2HB   GLU  19          1HB       GLU  19  -6.829  -0.226  -0.011
  147   1HG   GLU  19          2HG       GLU  19  -6.646  -3.030   0.338
  148   2HG   GLU  19          1HG       GLU  19  -5.011  -2.384   0.168
  149    H    THR  20           H        THR  20  -8.417   0.814  -0.909
  150    HA   THR  20           HA       THR  20  -8.562   1.559  -3.746
  151    HB   THR  20           HB       THR  20 -10.307   3.177  -2.109
  152    HG1  THR  20           1HG      THR  20 -10.756   1.388  -0.874
  153   1HG2  THR  20          1HG2      THR  20 -11.005   3.357  -4.219
  154   2HG2  THR  20          2HG2      THR  20 -11.787   1.790  -3.987
  155   3HG2  THR  20          3HG2      THR  20 -10.167   1.876  -4.688
  156    H    ASP  21           H        ASP  21  -7.692   3.473  -4.324
  157    HA   ASP  21           HA       ASP  21  -6.349   4.974  -2.195
  158   1HB   ASP  21          2HB       ASP  21  -4.644   4.195  -3.545
  159   2HB   ASP  21          1HB       ASP  21  -5.620   4.220  -4.999
  160    H    GLU  22           H        GLU  22  -5.885   7.340  -3.360
  161    HA   GLU  22           HA       GLU  22  -7.780   8.887  -2.413
  162   1HB   GLU  22          2HB       GLU  22  -7.249  10.382  -4.677
  163   2HB   GLU  22          1HB       GLU  22  -6.353  10.408  -3.171
  164   1HG   GLU  22          2HG       GLU  22  -4.571   9.878  -4.363
  165   2HG   GLU  22          1HG       GLU  22  -5.268   8.269  -4.537
  166    H    ASN  23           H        ASN  23  -7.967   8.666  -5.976
  167    HA   ASN  23           HA       ASN  23 -10.730   9.558  -5.752
  168   1HB   ASN  23          2HB       ASN  23  -8.883   9.243  -8.122
  169   2HB   ASN  23          1HB       ASN  23 -10.548   9.793  -8.249
  170   1HD2  ASN  23          1HD2      ASN  23  -7.339  10.585  -7.259
  171   2HD2  ASN  23          2HD2      ASN  23  -7.626  12.266  -6.956
  172    H    GLY  24           H        GLY  24 -10.202   6.860  -4.958
  173   1HA   GLY  24          1HA       GLY  24 -11.551   4.962  -5.073
  174   2HA   GLY  24          2HA       GLY  24 -12.264   5.596  -6.557
  175    H    GLN  25           H        GLN  25  -9.007   5.851  -6.815
  176    HA   GLN  25           HA       GLN  25  -8.697   3.933  -8.810
  177   1HB   GLN  25          2HB       GLN  25  -7.290   5.991  -8.394
  178   2HB   GLN  25          1HB       GLN  25  -6.515   5.107  -7.088
  179   1HG   GLN  25          2HG       GLN  25  -5.546   3.564  -8.579
  180   2HG   GLN  25          1HG       GLN  25  -6.559   4.108  -9.920
  181   1HE2  GLN  25          1HE2      GLN  25  -4.815   6.054  -7.547
  182   2HE2  GLN  25          2HE2      GLN  25  -3.786   6.844  -8.693
  183    H    VAL  26           H        VAL  26  -8.758   1.779  -8.533
  184    HA   VAL  26           HA       VAL  26  -8.258   0.648  -5.946
  185    HB   VAL  26           HB       VAL  26  -9.951  -0.187  -7.736
  186   1HG1  VAL  26          1HG1      VAL  26  -8.329  -0.565  -9.523
  187   2HG1  VAL  26          2HG1      VAL  26  -7.507  -1.761  -8.518
  188   3HG1  VAL  26          3HG1      VAL  26  -9.153  -2.058  -9.072
  189   1HG2  VAL  26          1HG2      VAL  26  -9.238  -1.166  -5.441
  190   2HG2  VAL  26          2HG2      VAL  26 -10.180  -2.149  -6.564
  191   3HG2  VAL  26          3HG2      VAL  26  -8.435  -2.388  -6.425
  192    H    PHE  27           H        PHE  27  -6.756  -0.930  -5.475
  193    HA   PHE  27           HA       PHE  27  -4.586  -1.502  -7.258
  194   1HB   PHE  27          2HB       PHE  27  -2.792  -0.572  -5.884
  195   2HB   PHE  27          1HB       PHE  27  -3.876   0.713  -6.396
  196    HD1  PHE  27           1HD      PHE  27  -2.613  -1.216  -3.566
  197    HD2  PHE  27           2HD      PHE  27  -5.310   1.833  -4.810
  198    HE1  PHE  27           1HE      PHE  27  -2.905  -0.536  -1.227
  199    HE2  PHE  27           2HE      PHE  27  -5.603   2.541  -2.478
  200    HZ   PHE  27           HZ       PHE  27  -4.430   1.342  -0.682
  201    H    PHE  28           H        PHE  28  -3.043  -3.003  -6.213
  202    HA   PHE  28           HA       PHE  28  -4.476  -4.622  -4.211
  203   1HB   PHE  28          2HB       PHE  28  -2.593  -5.704  -6.302
  204   2HB   PHE  28          1HB       PHE  28  -3.779  -6.587  -5.343
  205    HD1  PHE  28           1HD      PHE  28  -6.281  -5.784  -5.692
  206    HD2  PHE  28           2HD      PHE  28  -3.116  -5.164  -8.468
  207    HE1  PHE  28           1HE      PHE  28  -7.922  -5.505  -7.498
  208    HE2  PHE  28           2HE      PHE  28  -4.752  -4.883 -10.276
  209    HZ   PHE  28           HZ       PHE  28  -7.165  -5.054  -9.798
  210    H    VAL  29           H        VAL  29  -3.346  -5.350  -2.478
  211    HA   VAL  29           HA       VAL  29  -0.476  -4.757  -2.428
  212    HB   VAL  29           HB       VAL  29  -0.974  -3.037  -1.090
  213   1HG1  VAL  29          1HG1      VAL  29  -3.598  -4.329  -0.883
  214   2HG1  VAL  29          2HG1      VAL  29  -3.148  -3.298   0.478
  215   3HG1  VAL  29          3HG1      VAL  29  -3.169  -2.637  -1.158
  216   1HG2  VAL  29          1HG2      VAL  29  -0.541  -5.360   0.507
  217   2HG2  VAL  29          2HG2      VAL  29  -0.058  -3.693   0.819
  218   3HG2  VAL  29          3HG2      VAL  29  -1.632  -4.274   1.366
  219    H    ASP  30           H        ASP  30   0.671  -6.402  -2.012
  220    HA   ASP  30           HA       ASP  30  -0.408  -8.876  -1.009
  221   1HB   ASP  30          2HB       ASP  30   1.369  -8.700  -2.787
  222   2HB   ASP  30          1HB       ASP  30   2.475  -8.100  -1.555
  223    H    HIS  31           H        HIS  31  -0.635  -9.270   1.120
  224    HA   HIS  31           HA       HIS  31   0.722  -7.509   3.008
  225   1HB   HIS  31          2HB       HIS  31  -1.560  -9.450   3.232
  226   2HB   HIS  31          1HB       HIS  31  -0.762  -8.828   4.673
  227    HD1  HIS  31           1HD      HIS  31  -0.968  -6.238   5.111
  228    HD2  HIS  31           2HD      HIS  31  -3.280  -7.706   1.984
  229    HE1  HIS  31           1HE      HIS  31  -2.586  -4.392   4.526
  230    HE2  HIS  31           2HE      HIS  31  -4.189  -5.460   2.895
  231    H    ILE  32           H        ILE  32   1.381 -10.418   1.575
  232    HA   ILE  32           HA       ILE  32   2.824 -11.485   3.887
  233    HB   ILE  32           HB       ILE  32   2.655 -12.617   1.092
  234   1HG1  ILE  32          1HG1      ILE  32   0.429 -12.361   2.200
  235   2HG1  ILE  32          2HG1      ILE  32   0.880 -14.042   1.828
  236   1HG2  ILE  32          1HG2      ILE  32   4.313 -13.895   1.880
  237   2HG2  ILE  32          2HG2      ILE  32   3.994 -13.446   3.558
  238   3HG2  ILE  32          3HG2      ILE  32   3.039 -14.713   2.788
  239   1HD1  ILE  32          1HD1      ILE  32   0.504 -12.704   4.445
  240   2HD1  ILE  32          2HD1      ILE  32   0.124 -14.349   3.940
  241   3HD1  ILE  32          3HD1      ILE  32   1.786 -13.913   4.335
  242    H    ASN  33           H        ASN  33   3.367 -10.243   0.625
  243    HA   ASN  33           HA       ASN  33   6.259 -10.220   1.100
  244   1HB   ASN  33          2HB       ASN  33   4.584  -9.818  -1.374
  245   2HB   ASN  33          1HB       ASN  33   6.322  -9.550  -1.349
  246   1HD2  ASN  33          1HD2      ASN  33   3.943 -11.746  -1.959
  247   2HD2  ASN  33          2HD2      ASN  33   4.907 -13.184  -1.896
  248    H    LYS  34           H        LYS  34   3.625  -8.193   1.400
  249    HA   LYS  34           HA       LYS  34   3.410  -6.045   2.065
  250   1HB   LYS  34          2HB       LYS  34   6.146  -6.759   2.779
  251   2HB   LYS  34          1HB       LYS  34   5.929  -5.031   2.553
  252   1HG   LYS  34          2HG       LYS  34   5.602  -5.944   4.897
  253   2HG   LYS  34          1HG       LYS  34   4.334  -4.894   4.266
  254   1HD   LYS  34          2HD       LYS  34   2.910  -6.748   3.822
  255   2HD   LYS  34          1HD       LYS  34   4.212  -7.898   4.126
  256   1HE   LYS  34          2HE       LYS  34   3.602  -6.066   6.347
  257   2HE   LYS  34          1HE       LYS  34   2.327  -7.214   5.945
  258   1HZ   LYS  34          1HZ       LYS  34   4.620  -7.674   7.437
  259   2HZ   LYS  34          2HZ       LYS  34   4.828  -8.529   5.985
  260   3HZ   LYS  34          3HZ       LYS  34   3.461  -8.819   6.951
  261    H    ARG  35           H        ARG  35   3.222  -6.239  -0.600
  262    HA   ARG  35           HA       ARG  35   4.615  -3.805  -1.494
  263   1HB   ARG  35          2HB       ARG  35   4.425  -4.763  -3.844
  264   2HB   ARG  35          1HB       ARG  35   5.628  -5.479  -2.784
  265   1HG   ARG  35          2HG       ARG  35   3.326  -6.979  -2.362
  266   2HG   ARG  35          1HG       ARG  35   3.379  -6.699  -4.102
  267   1HD   ARG  35          2HD       ARG  35   5.974  -7.329  -3.563
  268   2HD   ARG  35          1HD       ARG  35   5.112  -8.331  -2.394
  269    HE   ARG  35           HE       ARG  35   4.083  -9.485  -4.163
  270   1HH1  ARG  35          2HH1      ARG  35   6.374  -7.086  -5.232
  271   2HH1  ARG  35          1HH1      ARG  35   6.426  -7.644  -6.877
  272   1HH2  ARG  35          2HH2      ARG  35   4.131 -10.261  -6.328
  273   2HH2  ARG  35          1HH2      ARG  35   5.144  -9.472  -7.489
  274    H    THR  36           H        THR  36   3.425  -2.286  -2.525
  275    HA   THR  36           HA       THR  36   0.528  -2.793  -2.900
  276    HB   THR  36           HB       THR  36   0.871  -0.078  -3.142
  277    HG1  THR  36           1HG      THR  36   2.182  -0.299  -0.772
  278   1HG2  THR  36          1HG2      THR  36   0.121  -1.829  -0.826
  279   2HG2  THR  36          2HG2      THR  36  -0.927  -0.917  -1.915
  280   3HG2  THR  36          3HG2      THR  36   0.048  -0.069  -0.713
  281    H    THR  37           H        THR  37  -0.027  -3.051  -5.024
  282    HA   THR  37           HA       THR  37   1.502  -1.490  -6.998
  283    HB   THR  37           HB       THR  37   2.118  -3.882  -7.161
  284    HG1  THR  37           1HG      THR  37   1.846  -3.961  -9.401
  285   1HG2  THR  37          1HG2      THR  37   0.643  -5.561  -7.255
  286   2HG2  THR  37          2HG2      THR  37  -0.362  -4.719  -8.439
  287   3HG2  THR  37          3HG2      THR  37  -0.556  -4.383  -6.716
  288    H    TYR  38           H        TYR  38   0.370  -0.426  -8.506
  289    HA   TYR  38           HA       TYR  38  -2.518  -0.295  -8.153
  290   1HB   TYR  38          2HB       TYR  38  -0.495   1.434  -9.559
  291   2HB   TYR  38          1HB       TYR  38  -2.222   1.652  -9.823
  292    HD1  TYR  38           1HD      TYR  38  -3.550   2.813  -8.256
  293    HD2  TYR  38           2HD      TYR  38   0.428   1.706  -7.233
  294    HE1  TYR  38           1HE      TYR  38  -3.676   4.217  -6.242
  295    HE2  TYR  38           2HE      TYR  38   0.308   3.105  -5.220
  296    HH   TYR  38           HH       TYR  38  -2.014   5.424  -4.741
  297    H    LEU  39           H        LEU  39  -0.592  -2.217  -9.879
  298    HA   LEU  39           HA       LEU  39  -2.419  -2.287 -12.177
  299   1HB   LEU  39          2HB       LEU  39   0.035  -1.632 -12.546
  300   2HB   LEU  39          1HB       LEU  39   0.389  -3.317 -12.213
  301    HG   LEU  39           HG       LEU  39  -1.716  -3.078 -14.175
  302   1HD1  LEU  39          1HD1      LEU  39  -0.459  -2.110 -15.965
  303   2HD1  LEU  39          2HD1      LEU  39  -0.538  -0.952 -14.638
  304   3HD1  LEU  39          3HD1      LEU  39   0.941  -1.875 -14.916
  305   1HD2  LEU  39          1HD2      LEU  39  -0.732  -4.936 -14.886
  306   2HD2  LEU  39          2HD2      LEU  39   0.856  -4.171 -14.969
  307   3HD2  LEU  39          3HD2      LEU  39   0.263  -4.806 -13.432
  308    H    ASP  40           H        ASP  40  -2.582  -4.496 -13.132
  309    HA   ASP  40           HA       ASP  40  -3.386  -6.308 -11.083
  310   1HB   ASP  40          2HB       ASP  40  -4.719  -6.357 -13.025
  311   2HB   ASP  40          1HB       ASP  40  -3.320  -6.463 -14.088
  312    HA   PRO  41           HA       PRO  41   0.574  -8.394 -10.957
  313   1HB   PRO  41          2HB       PRO  41  -0.131  -9.749  -8.601
  314   2HB   PRO  41          1HB       PRO  41   0.705  -8.201  -8.704
  315   1HG   PRO  41          2HG       PRO  41  -1.878  -8.655  -7.684
  316   2HG   PRO  41          1HG       PRO  41  -1.141  -7.085  -8.033
  317   1HD   PRO  41          2HD       PRO  41  -3.068  -8.676  -9.650
  318   2HD   PRO  41          1HD       PRO  41  -2.874  -6.915  -9.522
  319    H    ARG  42           H        ARG  42  -1.734  -9.529 -12.489
  320    HA   ARG  42           HA       ARG  42  -1.223 -12.386 -11.970
  321   1HB   ARG  42          2HB       ARG  42  -3.637 -11.037 -13.186
  322   2HB   ARG  42          1HB       ARG  42  -3.387 -12.778 -13.188
  323   1HG   ARG  42          2HG       ARG  42  -3.108 -11.630 -10.540
  324   2HG   ARG  42          1HG       ARG  42  -4.692 -11.317 -11.253
  325   1HD   ARG  42          2HD       ARG  42  -4.725 -13.396 -10.000
  326   2HD   ARG  42          1HD       ARG  42  -4.942 -13.712 -11.722
  327    HE   ARG  42           HE       ARG  42  -2.309 -14.018 -10.417
  328   1HH1  ARG  42          2HH1      ARG  42  -4.928 -15.301 -12.372
  329   2HH1  ARG  42          1HH1      ARG  42  -4.068 -16.757 -12.777
  330   1HH2  ARG  42          2HH2      ARG  42  -1.196 -15.929 -10.943
  331   2HH2  ARG  42          1HH2      ARG  42  -1.954 -17.129 -11.950
  332    H    LEU  43           H        LEU  43  -1.654  -9.917 -14.455
  333    HA   LEU  43           HA       LEU  43  -1.307 -11.457 -16.741
  334   1HB   LEU  43          2HB       LEU  43  -0.404  -8.613 -16.285
  335   2HB   LEU  43          1HB       LEU  43  -0.597  -9.377 -17.849
  336    HG   LEU  43           HG       LEU  43  -2.959  -9.302 -16.042
  337   1HD1  LEU  43          1HD1      LEU  43  -3.394  -7.085 -16.255
  338   2HD1  LEU  43          2HD1      LEU  43  -1.632  -6.999 -16.266
  339   3HD1  LEU  43          3HD1      LEU  43  -2.527  -6.949 -17.785
  340   1HD2  LEU  43          1HD2      LEU  43  -3.380 -10.410 -18.039
  341   2HD2  LEU  43          2HD2      LEU  43  -3.973  -8.779 -18.353
  342   3HD2  LEU  43          3HD2      LEU  43  -2.404  -9.280 -18.982
  343    H    ALA  44           H        ALA  44   1.278  -9.231 -15.764
  344    HA   ALA  44           HA       ALA  44   3.199 -11.193 -16.818
  345   1HB   ALA  44          1HB       ALA  44   4.606  -9.380 -17.411
  346   2HB   ALA  44          2HB       ALA  44   2.976  -8.944 -17.923
  347   3HB   ALA  44          3HB       ALA  44   3.655  -8.243 -16.454
  348    H    PHE  45           H        PHE  45   2.053 -10.685 -13.970
  349    HA   PHE  45           HA       PHE  45   4.612 -10.288 -12.593
  350   1HB   PHE  45          2HB       PHE  45   1.760  -9.977 -11.698
  351   2HB   PHE  45          1HB       PHE  45   3.080 -10.084 -10.539
  352    HD1  PHE  45           1HD      PHE  45   4.417  -8.219 -10.053
  353    HD2  PHE  45           2HD      PHE  45   1.765  -8.110 -13.379
  354    HE1  PHE  45           1HE      PHE  45   4.829  -5.803 -10.298
  355    HE2  PHE  45           2HE      PHE  45   2.165  -5.699 -13.631
  356    HZ   PHE  45           HZ       PHE  45   3.702  -4.539 -12.089
  357    H    THR  46           H        THR  46   5.074 -12.538 -13.386
  358    HA   THR  46           HA       THR  46   3.795 -14.742 -12.123
  359    HB   THR  46           HB       THR  46   6.381 -15.557 -12.747
  360    HG1  THR  46           1HG      THR  46   7.089 -13.869 -13.881
  361   1HG2  THR  46          1HG2      THR  46   4.143 -15.478 -14.755
  362   2HG2  THR  46          2HG2      THR  46   4.096 -16.534 -13.340
  363   3HG2  THR  46          3HG2      THR  46   5.380 -16.717 -14.532
  364    H    VAL  47           H        VAL  47   7.252 -14.189 -11.740
  365    HA   VAL  47           HA       VAL  47   6.876 -14.076  -8.823
  366    HB   VAL  47           HB       VAL  47   7.995 -16.132  -9.220
  367   1HG1  VAL  47          1HG1      VAL  47  10.022 -14.745 -10.956
  368   2HG1  VAL  47          2HG1      VAL  47   9.848 -16.476 -10.672
  369   3HG1  VAL  47          3HG1      VAL  47   8.616 -15.606 -11.585
  370   1HG2  VAL  47          1HG2      VAL  47   9.663 -13.906  -8.225
  371   2HG2  VAL  47          2HG2      VAL  47   9.138 -15.384  -7.418
  372   3HG2  VAL  47          3HG2      VAL  47  10.486 -15.428  -8.557
  373    H    ASP  48           H        ASP  48   7.293 -12.119  -8.064
  374    HA   ASP  48           HA       ASP  48   8.927 -10.322  -9.712
  375   1HB   ASP  48          2HB       ASP  48   6.512  -9.755  -9.245
  376   2HB   ASP  48          1HB       ASP  48   6.965  -9.537  -7.558
  377    H    ASP  49           H        ASP  49  10.757 -11.497  -8.660
  378    HA   ASP  49           HA       ASP  49  11.367 -10.457  -5.990
  379   1HB   ASP  49          2HB       ASP  49  11.751 -12.865  -6.310
  380   2HB   ASP  49          1HB       ASP  49  12.827 -12.521  -7.662
  381    H    ASN  50           H        ASN  50  11.513  -8.319  -6.902
  382    HA   ASN  50           HA       ASN  50  14.167  -7.477  -7.325
  383   1HB   ASN  50          2HB       ASN  50  12.885  -8.314  -9.688
  384   2HB   ASN  50          1HB       ASN  50  12.797  -6.555  -9.716
  385   1HD2  ASN  50          1HD2      ASN  50  15.111  -9.130  -8.970
  386   2HD2  ASN  50          2HD2      ASN  50  16.465  -8.384  -9.750
  387    HA   PRO  51           HA       PRO  51  12.201  -3.739  -5.899
  388   1HB   PRO  51          2HB       PRO  51  13.778  -1.827  -7.068
  389   2HB   PRO  51          1HB       PRO  51  14.236  -2.725  -5.616
  390   1HG   PRO  51          2HG       PRO  51  15.042  -3.177  -8.461
  391   2HG   PRO  51          1HG       PRO  51  16.024  -3.272  -6.987
  392   1HD   PRO  51          2HD       PRO  51  15.083  -5.470  -8.228
  393   2HD   PRO  51          1HD       PRO  51  15.261  -5.386  -6.464
  394    H    THR  52           H        THR  52  10.249  -4.005  -7.069
  395    HA   THR  52           HA       THR  52   9.932  -3.279  -9.781
  396    HB   THR  52           HB       THR  52   7.512  -2.922  -8.221
  397    HG1  THR  52           1HG      THR  52   8.188  -5.572  -7.999
  398   1HG2  THR  52          1HG2      THR  52   8.501  -4.634 -10.456
  399   2HG2  THR  52          2HG2      THR  52   7.158  -3.492 -10.426
  400   3HG2  THR  52          3HG2      THR  52   6.998  -5.064  -9.643
  401    H    LYS  53           H        LYS  53  10.192  -1.327 -10.574
  402    HA   LYS  53           HA       LYS  53   9.965   1.040  -8.951
  403   1HB   LYS  53          2HB       LYS  53  11.509   0.382 -11.087
  404   2HB   LYS  53          1HB       LYS  53  10.244   1.310 -11.882
  405   1HG   LYS  53          2HG       LYS  53  11.580   2.418  -9.458
  406   2HG   LYS  53          1HG       LYS  53  12.403   2.482 -11.019
  407   1HD   LYS  53          2HD       LYS  53   9.682   3.626 -10.383
  408   2HD   LYS  53          1HD       LYS  53  11.171   4.541 -10.621
  409   1HE   LYS  53          2HE       LYS  53  11.265   3.952 -12.919
  410   2HE   LYS  53          1HE       LYS  53   9.993   2.744 -12.731
  411   1HZ   LYS  53          1HZ       LYS  53   9.703   5.690 -12.543
  412   2HZ   LYS  53          2HZ       LYS  53   8.467   4.592 -12.156
  413   3HZ   LYS  53          3HZ       LYS  53   9.067   4.675 -13.742
  414    HA   PRO  54           HA       PRO  54   5.685   1.745 -10.080
  415   1HB   PRO  54          2HB       PRO  54   5.464   4.186  -8.909
  416   2HB   PRO  54          1HB       PRO  54   5.404   2.673  -7.998
  417   1HG   PRO  54          2HG       PRO  54   7.676   4.584  -8.361
  418   2HG   PRO  54          1HG       PRO  54   7.166   3.712  -6.903
  419   1HD   PRO  54          2HD       PRO  54   9.257   2.921  -8.457
  420   2HD   PRO  54          1HD       PRO  54   8.261   1.788  -7.523
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -7.309 -28.295  -7.081
    2   2H    GLY   1          2H        GLY   1  -7.042 -28.740  -8.694
    3   3H    GLY   1          3H        GLY   1  -8.230 -27.591  -8.314
    4   1HA   GLY   1          2HA       GLY   1  -5.349 -27.188  -7.755
    5   2HA   GLY   1          1HA       GLY   1  -6.129 -26.647  -9.236
    6    H    SER   2           H        SER   2  -6.133 -24.474  -9.016
    7    HA   SER   2           HA       SER   2  -6.805 -23.229  -6.504
    8   1HB   SER   2          2HB       SER   2  -6.812 -21.395  -8.718
    9   2HB   SER   2          1HB       SER   2  -5.655 -21.517  -7.393
   10    HG   SER   2           HG       SER   2  -4.765 -21.824  -9.553
   11    H    ALA   3           H        ALA   3  -8.863 -23.058  -5.868
   12    HA   ALA   3           HA       ALA   3 -11.051 -23.110  -7.747
   13   1HB   ALA   3          1HB       ALA   3 -12.483 -23.044  -5.835
   14   2HB   ALA   3          2HB       ALA   3 -11.142 -24.126  -5.456
   15   3HB   ALA   3          3HB       ALA   3 -11.168 -22.491  -4.799
   16    H    LYS   4           H        LYS   4 -11.886 -21.400  -8.740
   17    HA   LYS   4           HA       LYS   4 -10.781 -18.789  -8.192
   18   1HB   LYS   4          2HB       LYS   4 -12.594 -19.922 -10.296
   19   2HB   LYS   4          1HB       LYS   4 -12.413 -18.181 -10.127
   20   1HG   LYS   4          2HG       LYS   4  -9.812 -19.251 -10.134
   21   2HG   LYS   4          1HG       LYS   4 -10.698 -20.062 -11.429
   22   1HD   LYS   4          2HD       LYS   4 -11.448 -17.407 -11.667
   23   2HD   LYS   4          1HD       LYS   4  -9.734 -17.326 -11.259
   24   1HE   LYS   4          2HE       LYS   4  -9.264 -18.919 -13.093
   25   2HE   LYS   4          1HE       LYS   4 -10.972 -18.880 -13.528
   26   1HZ   LYS   4          1HZ       LYS   4  -9.923 -17.366 -14.954
   27   2HZ   LYS   4          2HZ       LYS   4  -8.990 -16.685 -13.709
   28   3HZ   LYS   4          3HZ       LYS   4 -10.660 -16.395 -13.772
   29    H    ARG   5           H        ARG   5 -14.163 -19.730  -8.779
   30    HA   ARG   5           HA       ARG   5 -16.130 -19.067  -7.864
   31   1HB   ARG   5          2HB       ARG   5 -14.314 -18.714  -5.493
   32   2HB   ARG   5          1HB       ARG   5 -16.016 -18.281  -5.407
   33   1HG   ARG   5          2HG       ARG   5 -16.264 -20.742  -6.399
   34   2HG   ARG   5          1HG       ARG   5 -14.735 -20.940  -5.543
   35   1HD   ARG   5          2HD       ARG   5 -15.981 -19.802  -3.575
   36   2HD   ARG   5          1HD       ARG   5 -17.439 -20.246  -4.460
   37    HE   ARG   5           HE       ARG   5 -16.116 -22.577  -4.387
   38   1HH1  ARG   5          2HH1      ARG   5 -16.848 -20.247  -1.864
   39   2HH1  ARG   5          1HH1      ARG   5 -16.907 -21.449  -0.605
   40   1HH2  ARG   5          2HH2      ARG   5 -16.155 -24.130  -2.757
   41   2HH2  ARG   5          1HH2      ARG   5 -16.514 -23.678  -1.118
   42    H    LYS   6           H        LYS   6 -14.300 -16.765  -5.974
   43    HA   LYS   6           HA       LYS   6 -14.385 -14.523  -5.775
   44   1HB   LYS   6          2HB       LYS   6 -13.454 -13.346  -7.554
   45   2HB   LYS   6          1HB       LYS   6 -12.899 -14.991  -7.803
   46   1HG   LYS   6          2HG       LYS   6 -14.233 -15.298  -9.663
   47   2HG   LYS   6          1HG       LYS   6 -15.355 -14.018  -9.194
   48   1HD   LYS   6          2HD       LYS   6 -12.674 -13.001  -9.563
   49   2HD   LYS   6          1HD       LYS   6 -13.262 -13.819 -11.012
   50   1HE   LYS   6          2HE       LYS   6 -15.330 -12.451 -10.874
   51   2HE   LYS   6          1HE       LYS   6 -14.614 -11.574  -9.520
   52   1HZ   LYS   6          1HZ       LYS   6 -14.328 -10.392 -11.608
   53   2HZ   LYS   6          2HZ       LYS   6 -13.496 -11.710 -12.269
   54   3HZ   LYS   6          3HZ       LYS   6 -12.825 -10.853 -10.966
   55    H    ARG   7           H        ARG   7 -17.044 -15.871  -6.267
   56    HA   ARG   7           HA       ARG   7 -18.710 -13.964  -7.562
   57   1HB   ARG   7          2HB       ARG   7 -19.027 -16.478  -6.261
   58   2HB   ARG   7          1HB       ARG   7 -20.141 -15.346  -5.508
   59   1HG   ARG   7          2HG       ARG   7 -21.446 -16.144  -7.197
   60   2HG   ARG   7          1HG       ARG   7 -20.718 -14.751  -8.000
   61   1HD   ARG   7          2HD       ARG   7 -19.629 -16.031  -9.471
   62   2HD   ARG   7          1HD       ARG   7 -19.091 -17.156  -8.222
   63    HE   ARG   7           HE       ARG   7 -21.746 -17.724  -8.580
   64   1HH1  ARG   7          2HH1      ARG   7 -18.936 -17.585 -10.689
   65   2HH1  ARG   7          1HH1      ARG   7 -19.536 -18.832 -11.748
   66   1HH2  ARG   7          2HH2      ARG   7 -22.512 -19.353  -9.970
   67   2HH2  ARG   7          1HH2      ARG   7 -21.541 -19.837 -11.336
   68    H    VAL   8           H        VAL   8 -18.314 -14.734  -4.120
   69    HA   VAL   8           HA       VAL   8 -18.665 -11.875  -3.509
   70    HB   VAL   8           HB       VAL   8 -19.076 -13.688  -1.251
   71   1HG1  VAL   8          1HG1      VAL   8 -20.243 -11.222  -2.388
   72   2HG1  VAL   8          2HG1      VAL   8 -21.296 -12.203  -1.371
   73   3HG1  VAL   8          3HG1      VAL   8 -19.771 -11.596  -0.731
   74   1HG2  VAL   8          1HG2      VAL   8 -20.513 -14.224  -3.739
   75   2HG2  VAL   8          2HG2      VAL   8 -20.337 -15.216  -2.290
   76   3HG2  VAL   8          3HG2      VAL   8 -21.565 -13.950  -2.348
   77    H    ALA   9           H        ALA   9 -16.278 -13.334  -4.241
   78    HA   ALA   9           HA       ALA   9 -14.740 -13.111  -1.744
   79   1HB   ALA   9          1HB       ALA   9 -14.647 -15.392  -2.134
   80   2HB   ALA   9          2HB       ALA   9 -14.628 -15.196  -3.886
   81   3HB   ALA   9          3HB       ALA   9 -13.186 -14.819  -2.940
   82    H    GLY  10           H        GLY  10 -12.315 -12.845  -2.291
   83   1HA   GLY  10          1HA       GLY  10 -12.112 -10.460  -3.881
   84   2HA   GLY  10          2HA       GLY  10 -10.808 -11.252  -3.007
   85    H    ASP  11           H        ASP  11 -10.714 -10.110  -5.634
   86    HA   ASP  11           HA       ASP  11 -10.693 -12.279  -7.538
   87   1HB   ASP  11          2HB       ASP  11 -11.048  -9.640  -7.831
   88   2HB   ASP  11          1HB       ASP  11  -9.313  -9.701  -8.109
   89    H    LEU  12           H        LEU  12  -8.589 -11.140  -5.185
   90    HA   LEU  12           HA       LEU  12  -6.146 -11.484  -6.707
   91   1HB   LEU  12          2HB       LEU  12  -6.853 -10.390  -4.027
   92   2HB   LEU  12          1HB       LEU  12  -5.206 -10.904  -4.322
   93    HG   LEU  12           HG       LEU  12  -4.885  -8.798  -4.998
   94   1HD1  LEU  12          1HD1      LEU  12  -6.029  -8.425  -7.419
   95   2HD1  LEU  12          2HD1      LEU  12  -4.536  -9.334  -7.150
   96   3HD1  LEU  12          3HD1      LEU  12  -6.074 -10.187  -7.301
   97   1HD2  LEU  12          1HD2      LEU  12  -7.175  -7.665  -5.997
   98   2HD2  LEU  12          2HD2      LEU  12  -7.765  -8.759  -4.745
   99   3HD2  LEU  12          3HD2      LEU  12  -6.569  -7.527  -4.349
  100    HA   PRO  13           HA       PRO  13  -4.681 -15.380  -4.969
  101   1HB   PRO  13          2HB       PRO  13  -2.247 -13.845  -4.229
  102   2HB   PRO  13          1HB       PRO  13  -2.395 -15.327  -5.176
  103   1HG   PRO  13          2HG       PRO  13  -1.856 -13.031  -6.376
  104   2HG   PRO  13          1HG       PRO  13  -2.984 -14.185  -7.112
  105   1HD   PRO  13          2HD       PRO  13  -3.574 -11.665  -5.599
  106   2HD   PRO  13          1HD       PRO  13  -4.330 -12.303  -7.070
  107    H    TYR  14           H        TYR  14  -3.049 -15.825  -2.892
  108    HA   TYR  14           HA       TYR  14  -4.852 -15.488  -0.728
  109   1HB   TYR  14          2HB       TYR  14  -3.772 -17.481  -0.524
  110   2HB   TYR  14          1HB       TYR  14  -2.278 -16.866  -1.211
  111    HD1  TYR  14           1HD      TYR  14  -4.283 -17.063   1.885
  112    HD2  TYR  14           2HD      TYR  14  -0.507 -16.108   0.185
  113    HE1  TYR  14           1HE      TYR  14  -3.300 -16.974   4.136
  114    HE2  TYR  14           2HE      TYR  14   0.490 -16.019   2.426
  115    HH   TYR  14           HH       TYR  14   0.117 -16.785   4.639
  116    H    GLY  15           H        GLY  15  -1.673 -14.061  -1.422
  117   1HA   GLY  15          1HA       GLY  15  -1.616 -12.706   1.130
  118   2HA   GLY  15          2HA       GLY  15  -0.415 -12.592  -0.150
  119    H    TRP  16           H        TRP  16  -2.799 -11.980  -1.993
  120    HA   TRP  16           HA       TRP  16  -2.300  -9.146  -1.819
  121   1HB   TRP  16          2HB       TRP  16  -3.704 -10.839  -3.870
  122   2HB   TRP  16          1HB       TRP  16  -3.523  -9.090  -4.007
  123    HD1  TRP  16           HD       TRP  16  -1.473 -12.316  -4.063
  124    HE1  TRP  16           1HE      TRP  16   0.793 -11.863  -5.166
  125    HE3  TRP  16           3HE      TRP  16  -1.910  -7.268  -4.495
  126    HZ2  TRP  16           2HZ      TRP  16   2.212  -9.549  -6.122
  127    HZ3  TRP  16           3HZ      TRP  16  -0.074  -5.996  -5.504
  128    HH2  TRP  16           HH       TRP  16   1.950  -7.112  -6.299
  129    H    GLU  17           H        GLU  17  -3.718  -7.532  -1.554
  130    HA   GLU  17           HA       GLU  17  -6.524  -8.236  -1.024
  131   1HB   GLU  17          2HB       GLU  17  -4.612  -6.812   0.634
  132   2HB   GLU  17          1HB       GLU  17  -6.026  -5.825   0.291
  133   1HG   GLU  17          2HG       GLU  17  -7.354  -7.053   1.590
  134   2HG   GLU  17          1HG       GLU  17  -6.659  -8.571   1.031
  135    H    GLN  18           H        GLN  18  -8.079  -6.791  -1.790
  136    HA   GLN  18           HA       GLN  18  -7.126  -5.015  -3.920
  137   1HB   GLN  18          2HB       GLN  18  -8.700  -6.747  -4.615
  138   2HB   GLN  18          1HB       GLN  18  -9.858  -6.213  -3.401
  139   1HG   GLN  18          2HG       GLN  18 -10.477  -4.374  -4.614
  140   2HG   GLN  18          1HG       GLN  18  -8.936  -4.282  -5.464
  141   1HE2  GLN  18          1HE2      GLN  18  -9.976  -4.140  -7.458
  142   2HE2  GLN  18          2HE2      GLN  18 -10.721  -5.510  -8.203
  143    H    GLU  19           H        GLU  19  -6.754  -3.052  -3.072
  144    HA   GLU  19           HA       GLU  19  -8.718  -1.978  -1.158
  145   1HB   GLU  19          2HB       GLU  19  -5.981  -0.829  -1.586
  146   2HB   GLU  19          1HB       GLU  19  -7.017  -0.694  -0.182
  147   1HG   GLU  19          2HG       GLU  19  -6.606  -3.350  -0.198
  148   2HG   GLU  19          1HG       GLU  19  -5.111  -2.790  -0.952
  149    H    THR  20           H        THR  20  -8.956   0.399  -1.217
  150    HA   THR  20           HA       THR  20  -8.754   1.467  -3.951
  151    HB   THR  20           HB       THR  20 -10.604   2.551  -1.835
  152    HG1  THR  20           1HG      THR  20 -11.124   0.325  -2.215
  153   1HG2  THR  20          1HG2      THR  20  -9.845   3.555  -4.231
  154   2HG2  THR  20          2HG2      THR  20 -11.406   3.886  -3.478
  155   3HG2  THR  20          3HG2      THR  20 -11.267   2.625  -4.703
  156    H    ASP  21           H        ASP  21  -7.702   3.378  -4.241
  157    HA   ASP  21           HA       ASP  21  -6.011   4.246  -2.086
  158   1HB   ASP  21          2HB       ASP  21  -4.689   5.159  -3.692
  159   2HB   ASP  21          1HB       ASP  21  -5.627   4.118  -4.751
  160    H    GLU  22           H        GLU  22  -5.722   6.870  -2.331
  161    HA   GLU  22           HA       GLU  22  -7.905   7.796  -0.744
  162   1HB   GLU  22          2HB       GLU  22  -6.566  10.043  -1.042
  163   2HB   GLU  22          1HB       GLU  22  -5.941   8.748  -0.027
  164   1HG   GLU  22          2HG       GLU  22  -4.494   8.012  -1.830
  165   2HG   GLU  22          1HG       GLU  22  -5.153   9.261  -2.887
  166    H    ASN  23           H        ASN  23  -6.987   8.161  -4.094
  167    HA   ASN  23           HA       ASN  23  -8.802  10.334  -4.623
  168   1HB   ASN  23          2HB       ASN  23  -7.323   8.469  -6.502
  169   2HB   ASN  23          1HB       ASN  23  -8.244   9.876  -7.012
  170   1HD2  ASN  23          1HD2      ASN  23  -5.352   8.728  -5.522
  171   2HD2  ASN  23          2HD2      ASN  23  -4.523  10.256  -5.491
  172    H    GLY  24           H        GLY  24  -8.709   6.848  -5.177
  173   1HA   GLY  24          1HA       GLY  24 -10.955   5.793  -4.682
  174   2HA   GLY  24          2HA       GLY  24 -11.593   6.948  -5.851
  175    H    GLN  25           H        GLN  25  -8.475   5.567  -6.374
  176    HA   GLN  25           HA       GLN  25  -9.530   3.929  -8.528
  177   1HB   GLN  25          2HB       GLN  25  -7.127   5.482  -8.149
  178   2HB   GLN  25          1HB       GLN  25  -6.723   3.815  -8.530
  179   1HG   GLN  25          2HG       GLN  25  -7.018   4.306 -10.661
  180   2HG   GLN  25          1HG       GLN  25  -8.740   4.493 -10.320
  181   1HE2  GLN  25          1HE2      GLN  25  -9.635   6.466 -10.436
  182   2HE2  GLN  25          2HE2      GLN  25  -8.761   7.915 -10.806
  183    H    VAL  26           H        VAL  26  -8.928   1.705  -8.684
  184    HA   VAL  26           HA       VAL  26  -8.485   0.543  -6.052
  185    HB   VAL  26           HB       VAL  26 -10.288  -0.249  -7.754
  186   1HG1  VAL  26          1HG1      VAL  26  -9.724  -1.693  -9.426
  187   2HG1  VAL  26          2HG1      VAL  26  -8.288  -0.664  -9.434
  188   3HG1  VAL  26          3HG1      VAL  26  -8.249  -2.226  -8.612
  189   1HG2  VAL  26          1HG2      VAL  26  -9.380  -1.253  -5.504
  190   2HG2  VAL  26          2HG2      VAL  26 -10.496  -2.164  -6.525
  191   3HG2  VAL  26          3HG2      VAL  26  -8.767  -2.514  -6.578
  192    H    PHE  27           H        PHE  27  -7.002  -1.141  -5.722
  193    HA   PHE  27           HA       PHE  27  -4.917  -1.673  -7.610
  194   1HB   PHE  27          2HB       PHE  27  -3.058  -0.758  -6.322
  195   2HB   PHE  27          1HB       PHE  27  -4.175   0.534  -6.744
  196    HD1  PHE  27           1HD      PHE  27  -2.635  -1.342  -4.065
  197    HD2  PHE  27           2HD      PHE  27  -5.659   1.490  -5.016
  198    HE1  PHE  27           1HE      PHE  27  -2.802  -0.731  -1.695
  199    HE2  PHE  27           2HE      PHE  27  -5.827   2.118  -2.652
  200    HZ   PHE  27           HZ       PHE  27  -4.416   1.002  -0.988
  201    H    PHE  28           H        PHE  28  -3.279  -3.124  -6.648
  202    HA   PHE  28           HA       PHE  28  -4.570  -4.816  -4.616
  203   1HB   PHE  28          2HB       PHE  28  -2.708  -5.798  -6.769
  204   2HB   PHE  28          1HB       PHE  28  -3.836  -6.730  -5.791
  205    HD1  PHE  28           1HD      PHE  28  -6.371  -5.865  -6.030
  206    HD2  PHE  28           2HD      PHE  28  -3.309  -5.406  -8.942
  207    HE1  PHE  28           1HE      PHE  28  -8.074  -5.672  -7.773
  208    HE2  PHE  28           2HE      PHE  28  -5.010  -5.194 -10.702
  209    HZ   PHE  28           HZ       PHE  28  -7.403  -5.327 -10.125
  210    H    VAL  29           H        VAL  29  -3.417  -5.314  -2.866
  211    HA   VAL  29           HA       VAL  29  -0.509  -4.914  -2.973
  212    HB   VAL  29           HB       VAL  29  -0.879  -3.026  -1.788
  213   1HG1  VAL  29          1HG1      VAL  29  -3.439  -4.275  -0.861
  214   2HG1  VAL  29          2HG1      VAL  29  -2.835  -2.748  -0.219
  215   3HG1  VAL  29          3HG1      VAL  29  -3.203  -2.895  -1.936
  216   1HG2  VAL  29          1HG2      VAL  29  -0.595  -3.322   0.571
  217   2HG2  VAL  29          2HG2      VAL  29  -1.289  -4.946   0.499
  218   3HG2  VAL  29          3HG2      VAL  29   0.275  -4.617  -0.251
  219    H    ASP  30           H        ASP  30   0.494  -6.679  -2.457
  220    HA   ASP  30           HA       ASP  30  -0.755  -8.792  -0.954
  221   1HB   ASP  30          2HB       ASP  30   0.735  -9.841  -2.302
  222   2HB   ASP  30          1HB       ASP  30   1.741  -8.401  -2.465
  223    H    HIS  31           H        HIS  31  -0.679  -9.062   1.200
  224    HA   HIS  31           HA       HIS  31   0.757  -6.964   2.664
  225   1HB   HIS  31          2HB       HIS  31  -1.692  -8.582   3.276
  226   2HB   HIS  31          1HB       HIS  31  -0.792  -7.809   4.577
  227    HD1  HIS  31           1HD      HIS  31  -0.688  -5.157   4.529
  228    HD2  HIS  31           2HD      HIS  31  -3.308  -6.902   1.798
  229    HE1  HIS  31           1HE      HIS  31  -2.136  -3.286   3.683
  230    HE2  HIS  31           2HE      HIS  31  -3.843  -4.392   2.198
  231    H    ILE  32           H        ILE  32   1.521  -9.886   1.699
  232    HA   ILE  32           HA       ILE  32   2.636 -10.845   4.231
  233    HB   ILE  32           HB       ILE  32   3.089 -12.099   1.531
  234   1HG1  ILE  32          1HG1      ILE  32   0.609 -11.690   2.090
  235   2HG1  ILE  32          2HG1      ILE  32   1.110 -13.335   1.632
  236   1HG2  ILE  32          1HG2      ILE  32   3.730 -13.989   2.673
  237   2HG2  ILE  32          2HG2      ILE  32   4.325 -12.713   3.731
  238   3HG2  ILE  32          3HG2      ILE  32   2.826 -13.553   4.120
  239   1HD1  ILE  32          1HD1      ILE  32   1.359 -13.342   4.382
  240   2HD1  ILE  32          2HD1      ILE  32  -0.085 -12.365   4.106
  241   3HD1  ILE  32          3HD1      ILE  32   0.010 -14.004   3.457
  242    H    ASN  33           H        ASN  33   3.719  -9.886   0.976
  243    HA   ASN  33           HA       ASN  33   6.403  -9.401   2.097
  244   1HB   ASN  33          2HB       ASN  33   5.874  -9.443  -0.849
  245   2HB   ASN  33          1HB       ASN  33   7.332  -9.864   0.025
  246   1HD2  ASN  33          1HD2      ASN  33   4.248 -10.948  -1.056
  247   2HD2  ASN  33          2HD2      ASN  33   4.527 -12.625  -0.756
  248    H    LYS  34           H        LYS  34   3.627  -7.833   1.262
  249    HA   LYS  34           HA       LYS  34   3.060  -5.647   1.350
  250   1HB   LYS  34          2HB       LYS  34   5.946  -5.302   2.150
  251   2HB   LYS  34          1HB       LYS  34   4.757  -4.011   2.180
  252   1HG   LYS  34          2HG       LYS  34   4.195  -6.532   3.663
  253   2HG   LYS  34          1HG       LYS  34   5.325  -5.357   4.337
  254   1HD   LYS  34          2HD       LYS  34   2.484  -4.778   3.502
  255   2HD   LYS  34          1HD       LYS  34   3.032  -5.018   5.159
  256   1HE   LYS  34          2HE       LYS  34   4.597  -3.025   3.741
  257   2HE   LYS  34          1HE       LYS  34   2.888  -2.610   3.811
  258   1HZ   LYS  34          1HZ       LYS  34   4.861  -2.601   5.893
  259   2HZ   LYS  34          2HZ       LYS  34   3.457  -3.445   6.342
  260   3HZ   LYS  34          3HZ       LYS  34   3.352  -1.831   5.827
  261    H    ARG  35           H        ARG  35   3.044  -6.201  -1.132
  262    HA   ARG  35           HA       ARG  35   4.514  -3.974  -2.394
  263   1HB   ARG  35          2HB       ARG  35   4.055  -5.416  -4.565
  264   2HB   ARG  35          1HB       ARG  35   5.482  -5.668  -3.574
  265   1HG   ARG  35          2HG       ARG  35   3.230  -7.268  -2.692
  266   2HG   ARG  35          1HG       ARG  35   3.669  -7.580  -4.372
  267   1HD   ARG  35          2HD       ARG  35   5.414  -7.788  -1.929
  268   2HD   ARG  35          1HD       ARG  35   4.936  -9.077  -3.031
  269    HE   ARG  35           HE       ARG  35   6.278  -7.736  -4.745
  270   1HH1  ARG  35          2HH1      ARG  35   7.027  -7.788  -1.324
  271   2HH1  ARG  35          1HH1      ARG  35   8.734  -7.578  -1.557
  272   1HH2  ARG  35          2HH2      ARG  35   8.503  -7.443  -5.064
  273   2HH2  ARG  35          1HH2      ARG  35   9.582  -7.369  -3.700
  274    H    THR  36           H        THR  36   3.347  -2.502  -3.486
  275    HA   THR  36           HA       THR  36   0.433  -2.961  -3.732
  276    HB   THR  36           HB       THR  36   0.839  -0.253  -4.034
  277    HG1  THR  36           1HG      THR  36   2.315  -0.833  -1.722
  278   1HG2  THR  36          1HG2      THR  36  -0.950  -1.008  -2.733
  279   2HG2  THR  36          2HG2      THR  36   0.101  -0.181  -1.583
  280   3HG2  THR  36          3HG2      THR  36   0.105  -1.943  -1.669
  281    H    THR  37           H        THR  37  -0.202  -3.295  -5.794
  282    HA   THR  37           HA       THR  37   1.122  -1.735  -7.912
  283    HB   THR  37           HB       THR  37   1.872  -3.936  -8.356
  284    HG1  THR  37           1HG      THR  37  -0.201  -4.254 -10.099
  285   1HG2  THR  37          1HG2      THR  37  -0.629  -5.356  -8.654
  286   2HG2  THR  37          2HG2      THR  37  -0.421  -4.764  -7.007
  287   3HG2  THR  37          3HG2      THR  37   0.810  -5.800  -7.735
  288    H    TYR  38           H        TYR  38  -0.196  -0.680  -9.324
  289    HA   TYR  38           HA       TYR  38  -3.026  -0.641  -8.655
  290   1HB   TYR  38          2HB       TYR  38  -1.241   1.084 -10.346
  291   2HB   TYR  38          1HB       TYR  38  -2.992   1.211 -10.477
  292    HD1  TYR  38           1HD      TYR  38  -4.112   2.681  -9.069
  293    HD2  TYR  38           2HD      TYR  38  -0.282   1.234  -7.907
  294    HE1  TYR  38           1HE      TYR  38  -4.149   4.167  -7.105
  295    HE2  TYR  38           2HE      TYR  38  -0.313   2.709  -5.944
  296    HH   TYR  38           HH       TYR  38  -2.651   5.198  -5.530
  297    H    LEU  39           H        LEU  39  -1.068  -2.329 -10.742
  298    HA   LEU  39           HA       LEU  39  -3.325  -2.866 -12.556
  299   1HB   LEU  39          2HB       LEU  39  -0.602  -2.310 -13.115
  300   2HB   LEU  39          1HB       LEU  39  -0.875  -3.995 -13.510
  301    HG   LEU  39           HG       LEU  39  -1.175  -2.407 -15.417
  302   1HD1  LEU  39          1HD1      LEU  39  -2.290  -4.699 -15.150
  303   2HD1  LEU  39          2HD1      LEU  39  -3.766  -3.784 -14.834
  304   3HD1  LEU  39          3HD1      LEU  39  -2.926  -3.597 -16.373
  305   1HD2  LEU  39          1HD2      LEU  39  -3.083  -1.248 -13.529
  306   2HD2  LEU  39          2HD2      LEU  39  -2.250  -0.510 -14.897
  307   3HD2  LEU  39          3HD2      LEU  39  -3.711  -1.461 -15.165
  308    H    ASP  40           H        ASP  40  -3.354  -5.175 -13.356
  309    HA   ASP  40           HA       ASP  40  -3.671  -6.846 -11.105
  310   1HB   ASP  40          2HB       ASP  40  -4.909  -6.991 -13.333
  311   2HB   ASP  40          1HB       ASP  40  -3.501  -7.857 -13.934
  312    HA   PRO  41           HA       PRO  41   0.514  -8.125 -10.661
  313   1HB   PRO  41          2HB       PRO  41  -0.388 -10.179  -8.814
  314   2HB   PRO  41          1HB       PRO  41   0.498  -8.690  -8.477
  315   1HG   PRO  41          2HG       PRO  41  -2.079  -9.090  -7.718
  316   2HG   PRO  41          1HG       PRO  41  -1.410  -7.493  -8.083
  317   1HD   PRO  41          2HD       PRO  41  -3.118  -9.266  -9.786
  318   2HD   PRO  41          1HD       PRO  41  -3.180  -7.504  -9.572
  319    H    ARG  42           H        ARG  42  -1.944 -10.176 -11.880
  320    HA   ARG  42           HA       ARG  42  -0.241 -12.535 -11.949
  321   1HB   ARG  42          2HB       ARG  42  -3.066 -12.050 -12.888
  322   2HB   ARG  42          1HB       ARG  42  -2.229 -13.591 -13.050
  323   1HG   ARG  42          2HG       ARG  42  -2.179 -13.932 -10.739
  324   2HG   ARG  42          1HG       ARG  42  -2.534 -12.237 -10.397
  325   1HD   ARG  42          2HD       ARG  42  -4.452 -14.074 -11.803
  326   2HD   ARG  42          1HD       ARG  42  -4.432 -13.854 -10.055
  327    HE   ARG  42           HE       ARG  42  -4.610 -11.382 -11.525
  328   1HH1  ARG  42          2HH1      ARG  42  -6.420 -14.080 -10.220
  329   2HH1  ARG  42          1HH1      ARG  42  -7.877 -13.153 -10.005
  330   1HH2  ARG  42          2HH2      ARG  42  -6.536 -10.168 -11.273
  331   2HH2  ARG  42          1HH2      ARG  42  -7.962 -10.952 -10.617
  332    H    LEU  43           H        LEU  43  -0.054  -9.902 -13.670
  333    HA   LEU  43           HA       LEU  43  -0.141 -10.958 -16.336
  334   1HB   LEU  43          2HB       LEU  43   1.016  -8.406 -15.237
  335   2HB   LEU  43          1HB       LEU  43   0.956  -8.804 -16.943
  336    HG   LEU  43           HG       LEU  43  -1.484  -8.557 -15.183
  337   1HD1  LEU  43          1HD1      LEU  43  -1.560  -6.490 -16.972
  338   2HD1  LEU  43          2HD1      LEU  43  -1.093  -6.360 -15.274
  339   3HD1  LEU  43          3HD1      LEU  43   0.143  -6.538 -16.520
  340   1HD2  LEU  43          1HD2      LEU  43  -2.737  -9.047 -16.987
  341   2HD2  LEU  43          2HD2      LEU  43  -1.618  -8.273 -18.112
  342   3HD2  LEU  43          3HD2      LEU  43  -1.275  -9.892 -17.502
  343    H    ALA  44           H        ALA  44   2.677  -9.305 -14.957
  344    HA   ALA  44           HA       ALA  44   4.348 -11.422 -16.102
  345   1HB   ALA  44          1HB       ALA  44   5.425  -8.801 -15.147
  346   2HB   ALA  44          2HB       ALA  44   6.053  -9.874 -16.396
  347   3HB   ALA  44          3HB       ALA  44   4.605  -8.915 -16.704
  348    H    PHE  45           H        PHE  45   3.026 -10.737 -13.247
  349    HA   PHE  45           HA       PHE  45   5.333 -11.745 -11.727
  350   1HB   PHE  45          2HB       PHE  45   3.172 -10.309 -10.270
  351   2HB   PHE  45          1HB       PHE  45   4.902 -10.346  -9.960
  352    HD1  PHE  45           1HD      PHE  45   6.419  -8.931 -11.386
  353    HD2  PHE  45           2HD      PHE  45   2.182  -8.552 -11.470
  354    HE1  PHE  45           1HE      PHE  45   6.641  -6.701 -12.405
  355    HE2  PHE  45           2HE      PHE  45   2.396  -6.324 -12.489
  356    HZ   PHE  45           HZ       PHE  45   4.626  -5.395 -12.955
  357    H    THR  46           H        THR  46   4.216 -12.494  -9.436
  358    HA   THR  46           HA       THR  46   3.063 -14.112  -8.357
  359    HB   THR  46           HB       THR  46   0.824 -13.893 -10.347
  360    HG1  THR  46           1HG      THR  46   1.377 -11.750  -9.935
  361   1HG2  THR  46          1HG2      THR  46  -0.426 -13.918  -8.072
  362   2HG2  THR  46          2HG2      THR  46   1.110 -14.487  -7.419
  363   3HG2  THR  46          3HG2      THR  46   0.285 -15.418  -8.671
  364    H    VAL  47           H        VAL  47   4.933 -15.188  -9.855
  365    HA   VAL  47           HA       VAL  47   3.780 -17.315 -11.480
  366    HB   VAL  47           HB       VAL  47   6.642 -17.505 -10.795
  367   1HG1  VAL  47          1HG1      VAL  47   5.575 -18.932 -12.450
  368   2HG1  VAL  47          2HG1      VAL  47   5.111 -17.513 -13.391
  369   3HG1  VAL  47          3HG1      VAL  47   6.816 -17.924 -13.201
  370   1HG2  VAL  47          1HG2      VAL  47   7.187 -15.373 -11.165
  371   2HG2  VAL  47          2HG2      VAL  47   6.673 -15.615 -12.835
  372   3HG2  VAL  47          3HG2      VAL  47   5.539 -14.969 -11.649
  373    H    ASP  48           H        ASP  48   2.573 -18.416  -9.945
  374    HA   ASP  48           HA       ASP  48   3.635 -19.131  -7.386
  375   1HB   ASP  48          2HB       ASP  48   1.097 -18.989  -8.531
  376   2HB   ASP  48          1HB       ASP  48   1.336 -20.702  -8.217
  377    H    ASP  49           H        ASP  49   2.560 -21.124 -10.128
  378    HA   ASP  49           HA       ASP  49   4.555 -23.140  -9.340
  379   1HB   ASP  49          2HB       ASP  49   2.005 -23.587  -8.814
  380   2HB   ASP  49          1HB       ASP  49   1.937 -23.976 -10.529
  381    H    ASN  50           H        ASN  50   4.691 -24.833 -11.211
  382    HA   ASN  50           HA       ASN  50   4.995 -23.320 -13.717
  383   1HB   ASN  50          2HB       ASN  50   7.030 -24.428 -12.754
  384   2HB   ASN  50          1HB       ASN  50   6.229 -25.983 -12.965
  385   1HD2  ASN  50          1HD2      ASN  50   6.452 -26.994 -14.836
  386   2HD2  ASN  50          2HD2      ASN  50   7.098 -26.291 -16.285
  387    HA   PRO  51           HA       PRO  51   1.361 -25.354 -15.252
  388   1HB   PRO  51          2HB       PRO  51   2.028 -25.053 -17.936
  389   2HB   PRO  51          1HB       PRO  51   1.176 -23.860 -16.949
  390   1HG   PRO  51          2HG       PRO  51   4.074 -24.017 -17.659
  391   2HG   PRO  51          1HG       PRO  51   3.020 -22.593 -17.550
  392   1HD   PRO  51          2HD       PRO  51   4.762 -23.166 -15.612
  393   2HD   PRO  51          1HD       PRO  51   3.150 -22.524 -15.229
  394    H    THR  52           H        THR  52   0.912 -27.417 -15.605
  395    HA   THR  52           HA       THR  52   2.947 -29.086 -16.937
  396    HB   THR  52           HB       THR  52   1.042 -30.390 -15.073
  397    HG1  THR  52           1HG      THR  52   2.613 -28.336 -14.284
  398   1HG2  THR  52          1HG2      THR  52   2.857 -31.882 -14.697
  399   2HG2  THR  52          2HG2      THR  52   4.018 -30.752 -15.394
  400   3HG2  THR  52          3HG2      THR  52   2.834 -31.552 -16.428
  401    H    LYS  53           H        LYS  53   2.257 -30.301 -18.607
  402    HA   LYS  53           HA       LYS  53  -0.298 -29.795 -19.735
  403   1HB   LYS  53          2HB       LYS  53   2.083 -31.402 -20.425
  404   2HB   LYS  53          1HB       LYS  53   0.564 -31.970 -21.104
  405   1HG   LYS  53          2HG       LYS  53   0.468 -30.303 -22.582
  406   2HG   LYS  53          1HG       LYS  53   0.944 -29.096 -21.384
  407   1HD   LYS  53          2HD       LYS  53   3.298 -29.932 -21.612
  408   2HD   LYS  53          1HD       LYS  53   2.747 -30.923 -22.964
  409   1HE   LYS  53          2HE       LYS  53   2.237 -27.972 -22.899
  410   2HE   LYS  53          1HE       LYS  53   3.783 -28.612 -23.454
  411   1HZ   LYS  53          1HZ       LYS  53   1.857 -28.189 -25.128
  412   2HZ   LYS  53          2HZ       LYS  53   1.303 -29.701 -24.592
  413   3HZ   LYS  53          3HZ       LYS  53   2.840 -29.562 -25.288
  414    HA   PRO  54           HA       PRO  54  -2.551 -33.028 -17.649
  415   1HB   PRO  54          2HB       PRO  54  -4.754 -32.461 -19.449
  416   2HB   PRO  54          1HB       PRO  54  -4.619 -32.106 -17.725
  417   1HG   PRO  54          2HG       PRO  54  -4.638 -30.177 -19.647
  418   2HG   PRO  54          1HG       PRO  54  -3.818 -29.993 -18.089
  419   1HD   PRO  54          2HD       PRO  54  -2.668 -30.696 -20.768
  420   2HD   PRO  54          1HD       PRO  54  -2.032 -29.603 -19.518
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  16.787 -12.576 -10.769
    2   2H    GLY   1          2H        GLY   1  17.113 -11.064 -10.074
    3   3H    GLY   1          3H        GLY   1  17.805 -11.477 -11.568
    4   1HA   GLY   1          2HA       GLY   1  16.019  -9.985 -11.995
    5   2HA   GLY   1          1HA       GLY   1  15.552 -11.590 -12.542
    6    H    SER   2           H        SER   2  13.356 -10.606 -12.335
    7    HA   SER   2           HA       SER   2  12.276 -10.063  -9.774
    8   1HB   SER   2          2HB       SER   2  10.462 -11.074 -11.882
    9   2HB   SER   2          1HB       SER   2  10.357  -9.601 -10.915
   10    HG   SER   2           HG       SER   2  10.870  -9.460 -13.306
   11    H    ALA   3           H        ALA   3  12.621 -11.665  -8.302
   12    HA   ALA   3           HA       ALA   3  12.385 -14.444  -9.033
   13   1HB   ALA   3          1HB       ALA   3  13.430 -14.935  -7.028
   14   2HB   ALA   3          2HB       ALA   3  14.091 -13.350  -7.426
   15   3HB   ALA   3          3HB       ALA   3  12.803 -13.490  -6.232
   16    H    LYS   4           H        LYS   4   9.956 -13.445  -9.447
   17    HA   LYS   4           HA       LYS   4   8.335 -14.253  -7.137
   18   1HB   LYS   4          2HB       LYS   4   7.916 -12.442  -9.415
   19   2HB   LYS   4          1HB       LYS   4   6.554 -13.509  -9.098
   20   1HG   LYS   4          2HG       LYS   4   7.821 -11.924  -6.892
   21   2HG   LYS   4          1HG       LYS   4   6.605 -11.211  -7.952
   22   1HD   LYS   4          2HD       LYS   4   4.971 -12.193  -6.791
   23   2HD   LYS   4          1HD       LYS   4   5.698 -13.779  -7.060
   24   1HE   LYS   4          2HE       LYS   4   5.717 -13.658  -4.763
   25   2HE   LYS   4          1HE       LYS   4   7.321 -13.044  -5.155
   26   1HZ   LYS   4          1HZ       LYS   4   5.439 -11.794  -3.618
   27   2HZ   LYS   4          2HZ       LYS   4   5.364 -10.963  -5.100
   28   3HZ   LYS   4          3HZ       LYS   4   6.838 -11.086  -4.270
   29    H    ARG   5           H        ARG   5   7.502 -16.230  -7.088
   30    HA   ARG   5           HA       ARG   5   8.168 -18.061  -9.197
   31   1HB   ARG   5          2HB       ARG   5   6.352 -18.794  -6.927
   32   2HB   ARG   5          1HB       ARG   5   7.560 -19.774  -7.742
   33   1HG   ARG   5          2HG       ARG   5   8.016 -17.591  -5.732
   34   2HG   ARG   5          1HG       ARG   5   8.352 -19.313  -5.554
   35   1HD   ARG   5          2HD       ARG   5  10.270 -19.206  -6.771
   36   2HD   ARG   5          1HD       ARG   5   9.672 -17.906  -7.801
   37    HE   ARG   5           HE       ARG   5  10.049 -16.415  -5.829
   38   1HH1  ARG   5          2HH1      ARG   5  11.890 -19.347  -6.317
   39   2HH1  ARG   5          1HH1      ARG   5  13.195 -18.862  -5.279
   40   1HH2  ARG   5          2HH2      ARG   5  11.779 -15.743  -4.488
   41   2HH2  ARG   5          1HH2      ARG   5  13.134 -16.801  -4.235
   42    H    LYS   6           H        LYS   6   5.602 -16.006  -8.697
   43    HA   LYS   6           HA       LYS   6   3.517 -15.775  -9.542
   44   1HB   LYS   6          2HB       LYS   6   4.367 -17.881 -11.542
   45   2HB   LYS   6          1HB       LYS   6   3.028 -16.757 -11.716
   46   1HG   LYS   6          2HG       LYS   6   4.362 -15.238 -12.619
   47   2HG   LYS   6          1HG       LYS   6   5.439 -15.296 -11.219
   48   1HD   LYS   6          2HD       LYS   6   6.923 -16.627 -12.268
   49   2HD   LYS   6          1HD       LYS   6   5.661 -17.583 -13.051
   50   1HE   LYS   6          2HE       LYS   6   5.547 -15.026 -14.207
   51   2HE   LYS   6          1HE       LYS   6   7.255 -15.449 -14.118
   52   1HZ   LYS   6          1HZ       LYS   6   5.653 -16.203 -16.101
   53   2HZ   LYS   6          2HZ       LYS   6   5.483 -17.542 -15.078
   54   3HZ   LYS   6          3HZ       LYS   6   7.023 -17.081 -15.624
   55    H    ARG   7           H        ARG   7   2.670 -18.611 -10.961
   56    HA   ARG   7           HA       ARG   7   1.283 -20.321 -10.379
   57   1HB   ARG   7          2HB       ARG   7   3.444 -20.329  -8.359
   58   2HB   ARG   7          1HB       ARG   7   1.996 -21.220  -7.913
   59   1HG   ARG   7          2HG       ARG   7   3.417 -22.787  -8.928
   60   2HG   ARG   7          1HG       ARG   7   2.199 -22.402 -10.145
   61   1HD   ARG   7          2HD       ARG   7   3.710 -21.531 -11.541
   62   2HD   ARG   7          1HD       ARG   7   4.527 -20.651 -10.253
   63    HE   ARG   7           HE       ARG   7   5.028 -23.500 -10.295
   64   1HH1  ARG   7          2HH1      ARG   7   6.086 -20.314 -11.281
   65   2HH1  ARG   7          1HH1      ARG   7   7.698 -20.822 -11.702
   66   1HH2  ARG   7          2HH2      ARG   7   7.160 -24.179 -10.784
   67   2HH2  ARG   7          1HH2      ARG   7   8.320 -23.021 -11.371
   68    H    VAL   8           H        VAL   8   0.298 -17.760  -9.842
   69    HA   VAL   8           HA       VAL   8  -0.831 -17.804  -7.177
   70    HB   VAL   8           HB       VAL   8  -1.917 -15.636  -7.879
   71   1HG1  VAL   8          1HG1      VAL   8   0.862 -16.243  -7.375
   72   2HG1  VAL   8          2HG1      VAL   8   0.696 -14.755  -8.309
   73   3HG1  VAL   8          3HG1      VAL   8  -0.130 -14.921  -6.758
   74   1HG2  VAL   8          1HG2      VAL   8  -2.014 -15.793 -10.241
   75   2HG2  VAL   8          2HG2      VAL   8  -0.828 -14.539  -9.884
   76   3HG2  VAL   8          3HG2      VAL   8  -0.293 -16.152 -10.362
   77    H    ALA   9           H        ALA   9  -2.422 -19.173  -6.867
   78    HA   ALA   9           HA       ALA   9  -4.185 -19.954  -9.010
   79   1HB   ALA   9          1HB       ALA   9  -4.461 -21.826  -7.834
   80   2HB   ALA   9          2HB       ALA   9  -3.206 -21.212  -6.758
   81   3HB   ALA   9          3HB       ALA   9  -4.906 -20.939  -6.376
   82    H    GLY  10           H        GLY  10  -5.946 -18.891  -9.514
   83   1HA   GLY  10          1HA       GLY  10  -8.224 -18.409  -8.794
   84   2HA   GLY  10          2HA       GLY  10  -7.544 -17.722  -7.329
   85    H    ASP  11           H        ASP  11  -8.628 -15.763  -7.677
   86    HA   ASP  11           HA       ASP  11  -7.873 -14.192 -10.004
   87   1HB   ASP  11          2HB       ASP  11 -10.116 -14.217  -8.351
   88   2HB   ASP  11          1HB       ASP  11  -9.275 -12.738  -7.902
   89    H    LEU  12           H        LEU  12  -8.096 -12.729  -6.780
   90    HA   LEU  12           HA       LEU  12  -5.348 -11.938  -6.925
   91   1HB   LEU  12          2HB       LEU  12  -7.670 -11.494  -5.098
   92   2HB   LEU  12          1HB       LEU  12  -6.059 -11.098  -4.578
   93    HG   LEU  12           HG       LEU  12  -7.571  -9.904  -6.879
   94   1HD1  LEU  12          1HD1      LEU  12  -7.937  -9.247  -4.443
   95   2HD1  LEU  12          2HD1      LEU  12  -6.339  -8.500  -4.546
   96   3HD1  LEU  12          3HD1      LEU  12  -7.641  -7.963  -5.617
   97   1HD2  LEU  12          1HD2      LEU  12  -5.605  -8.485  -7.257
   98   2HD2  LEU  12          2HD2      LEU  12  -4.700  -9.432  -6.070
   99   3HD2  LEU  12          3HD2      LEU  12  -5.254 -10.190  -7.563
  100    HA   PRO  13           HA       PRO  13  -3.856 -15.526  -4.757
  101   1HB   PRO  13          2HB       PRO  13  -1.662 -13.738  -3.902
  102   2HB   PRO  13          1HB       PRO  13  -1.593 -15.248  -4.822
  103   1HG   PRO  13          2HG       PRO  13  -1.157 -12.895  -6.003
  104   2HG   PRO  13          1HG       PRO  13  -2.033 -14.194  -6.836
  105   1HD   PRO  13          2HD       PRO  13  -3.110 -11.751  -5.476
  106   2HD   PRO  13          1HD       PRO  13  -3.591 -12.485  -7.018
  107    H    TYR  14           H        TYR  14  -3.052 -16.078  -2.552
  108    HA   TYR  14           HA       TYR  14  -4.976 -15.317  -0.677
  109   1HB   TYR  14          2HB       TYR  14  -4.199 -17.360  -0.106
  110   2HB   TYR  14          1HB       TYR  14  -2.594 -17.040  -0.750
  111    HD1  TYR  14           1HD      TYR  14  -4.784 -16.519   2.198
  112    HD2  TYR  14           2HD      TYR  14  -0.813 -16.464   0.672
  113    HE1  TYR  14           1HE      TYR  14  -3.914 -16.295   4.482
  114    HE2  TYR  14           2HE      TYR  14   0.069 -16.243   2.951
  115    HH   TYR  14           HH       TYR  14  -1.693 -15.282   5.518
  116    H    GLY  15           H        GLY  15  -1.652 -14.185  -1.102
  117   1HA   GLY  15          1HA       GLY  15  -1.688 -12.693   1.364
  118   2HA   GLY  15          2HA       GLY  15  -0.414 -12.685   0.151
  119    H    TRP  16           H        TRP  16  -2.638 -12.054  -1.880
  120    HA   TRP  16           HA       TRP  16  -2.265  -9.196  -1.679
  121   1HB   TRP  16          2HB       TRP  16  -3.388 -10.989  -3.816
  122   2HB   TRP  16          1HB       TRP  16  -3.362  -9.234  -3.959
  123    HD1  TRP  16           HD       TRP  16  -1.004 -12.244  -3.776
  124    HE1  TRP  16           1HE      TRP  16   1.290 -11.587  -4.699
  125    HE3  TRP  16           3HE      TRP  16  -1.904  -7.279  -4.398
  126    HZ2  TRP  16           2HZ      TRP  16   2.549  -9.165  -5.593
  127    HZ3  TRP  16           3HZ      TRP  16  -0.112  -5.851  -5.283
  128    HH2  TRP  16           HH       TRP  16   2.066  -6.778  -5.872
  129    H    GLU  17           H        GLU  17  -3.739  -7.690  -1.347
  130    HA   GLU  17           HA       GLU  17  -6.552  -8.516  -1.080
  131   1HB   GLU  17          2HB       GLU  17  -4.838  -6.826   0.678
  132   2HB   GLU  17          1HB       GLU  17  -6.524  -6.356   0.486
  133   1HG   GLU  17          2HG       GLU  17  -7.241  -8.545   1.237
  134   2HG   GLU  17          1HG       GLU  17  -5.562  -9.056   1.395
  135    H    GLN  18           H        GLN  18  -8.094  -7.153  -1.955
  136    HA   GLN  18           HA       GLN  18  -7.078  -5.212  -3.888
  137   1HB   GLN  18          2HB       GLN  18  -8.616  -6.762  -4.843
  138   2HB   GLN  18          1HB       GLN  18  -9.752  -6.569  -3.513
  139   1HG   GLN  18          2HG       GLN  18 -10.616  -4.643  -4.344
  140   2HG   GLN  18          1HG       GLN  18  -9.117  -4.177  -5.141
  141   1HE2  GLN  18          1HE2      GLN  18  -8.906  -4.567  -7.251
  142   2HE2  GLN  18          2HE2      GLN  18 -10.015  -5.476  -8.220
  143    H    GLU  19           H        GLU  19  -6.861  -3.193  -3.174
  144    HA   GLU  19           HA       GLU  19  -8.887  -2.137  -1.309
  145   1HB   GLU  19          2HB       GLU  19  -6.128  -0.991  -1.442
  146   2HB   GLU  19          1HB       GLU  19  -7.266  -0.980  -0.109
  147   1HG   GLU  19          2HG       GLU  19  -6.765  -3.641  -0.373
  148   2HG   GLU  19          1HG       GLU  19  -5.223  -2.932  -0.846
  149    H    THR  20           H        THR  20  -9.086   0.266  -1.408
  150    HA   THR  20           HA       THR  20  -8.614   1.262  -4.138
  151    HB   THR  20           HB       THR  20 -10.903   2.240  -2.462
  152    HG1  THR  20           1HG      THR  20 -10.852  -0.188  -2.914
  153   1HG2  THR  20          1HG2      THR  20 -11.182   3.556  -4.248
  154   2HG2  THR  20          2HG2      THR  20 -11.438   2.117  -5.243
  155   3HG2  THR  20          3HG2      THR  20  -9.813   2.777  -5.042
  156    H    ASP  21           H        ASP  21  -7.665   3.208  -4.334
  157    HA   ASP  21           HA       ASP  21  -6.547   4.318  -1.920
  158   1HB   ASP  21          2HB       ASP  21  -4.903   5.189  -3.235
  159   2HB   ASP  21          1HB       ASP  21  -5.454   3.922  -4.316
  160    H    GLU  22           H        GLU  22  -6.249   6.888  -2.296
  161    HA   GLU  22           HA       GLU  22  -8.809   7.857  -1.488
  162   1HB   GLU  22          2HB       GLU  22  -7.365  10.122  -1.666
  163   2HB   GLU  22          1HB       GLU  22  -7.306   9.026  -0.295
  164   1HG   GLU  22          2HG       GLU  22  -5.305   8.004  -1.118
  165   2HG   GLU  22          1HG       GLU  22  -5.411   8.914  -2.626
  166    H    ASN  23           H        ASN  23  -7.207   7.727  -4.504
  167    HA   ASN  23           HA       ASN  23  -8.760   9.910  -5.643
  168   1HB   ASN  23          2HB       ASN  23  -6.808   7.971  -6.914
  169   2HB   ASN  23          1HB       ASN  23  -7.600   9.288  -7.764
  170   1HD2  ASN  23          1HD2      ASN  23  -5.122   8.364  -5.592
  171   2HD2  ASN  23          2HD2      ASN  23  -4.367   9.923  -5.447
  172    H    GLY  24           H        GLY  24  -9.176   6.704  -4.893
  173   1HA   GLY  24          1HA       GLY  24 -11.120   5.453  -5.176
  174   2HA   GLY  24          2HA       GLY  24 -11.633   6.562  -6.439
  175    H    GLN  25           H        GLN  25  -8.433   5.408  -6.668
  176    HA   GLN  25           HA       GLN  25  -9.197   3.674  -8.864
  177   1HB   GLN  25          2HB       GLN  25  -6.797   5.247  -8.166
  178   2HB   GLN  25          1HB       GLN  25  -6.482   3.688  -8.917
  179   1HG   GLN  25          2HG       GLN  25  -6.965   4.502 -10.913
  180   2HG   GLN  25          1HG       GLN  25  -8.551   5.029 -10.360
  181   1HE2  GLN  25          1HE2      GLN  25  -8.917   7.149 -10.009
  182   2HE2  GLN  25          2HE2      GLN  25  -7.723   8.389 -10.215
  183    H    VAL  26           H        VAL  26  -8.869   1.487  -8.797
  184    HA   VAL  26           HA       VAL  26  -8.364   0.396  -6.189
  185    HB   VAL  26           HB       VAL  26 -10.013  -0.518  -7.955
  186   1HG1  VAL  26          1HG1      VAL  26  -9.112  -1.282  -9.841
  187   2HG1  VAL  26          2HG1      VAL  26  -7.482  -1.173  -9.176
  188   3HG1  VAL  26          3HG1      VAL  26  -8.456  -2.616  -8.892
  189   1HG2  VAL  26          1HG2      VAL  26 -10.188  -2.385  -6.694
  190   2HG2  VAL  26          2HG2      VAL  26  -8.461  -2.742  -6.780
  191   3HG2  VAL  26          3HG2      VAL  26  -9.051  -1.492  -5.679
  192    H    PHE  27           H        PHE  27  -6.815  -1.051  -5.636
  193    HA   PHE  27           HA       PHE  27  -4.590  -1.547  -7.410
  194   1HB   PHE  27          2HB       PHE  27  -2.892  -0.671  -5.886
  195   2HB   PHE  27          1HB       PHE  27  -3.973   0.620  -6.393
  196    HD1  PHE  27           1HD      PHE  27  -2.744  -1.347  -3.598
  197    HD2  PHE  27           2HD      PHE  27  -5.621   1.542  -4.812
  198    HE1  PHE  27           1HE      PHE  27  -3.169  -0.785  -1.246
  199    HE2  PHE  27           2HE      PHE  27  -6.047   2.113  -2.465
  200    HZ   PHE  27           HZ       PHE  27  -4.840   0.940  -0.684
  201    H    PHE  28           H        PHE  28  -3.076  -3.086  -6.424
  202    HA   PHE  28           HA       PHE  28  -4.480  -4.810  -4.496
  203   1HB   PHE  28          2HB       PHE  28  -2.505  -5.801  -6.545
  204   2HB   PHE  28          1HB       PHE  28  -3.706  -6.721  -5.642
  205    HD1  PHE  28           1HD      PHE  28  -6.168  -6.207  -6.125
  206    HD2  PHE  28           2HD      PHE  28  -2.983  -5.037  -8.687
  207    HE1  PHE  28           1HE      PHE  28  -7.750  -6.011  -7.979
  208    HE2  PHE  28           2HE      PHE  28  -4.565  -4.815 -10.556
  209    HZ   PHE  28           HZ       PHE  28  -6.956  -5.306 -10.207
  210    H    VAL  29           H        VAL  29  -3.323  -5.532  -2.772
  211    HA   VAL  29           HA       VAL  29  -0.475  -4.837  -2.716
  212    HB   VAL  29           HB       VAL  29  -1.056  -3.117  -1.387
  213   1HG1  VAL  29          1HG1      VAL  29  -3.089  -2.981  -0.033
  214   2HG1  VAL  29          2HG1      VAL  29  -3.429  -3.353  -1.723
  215   3HG1  VAL  29          3HG1      VAL  29  -3.501  -4.630  -0.510
  216   1HG2  VAL  29          1HG2      VAL  29  -1.616  -4.797   0.957
  217   2HG2  VAL  29          2HG2      VAL  29  -0.135  -5.203   0.085
  218   3HG2  VAL  29          3HG2      VAL  29  -0.375  -3.568   0.708
  219    H    ASP  30           H        ASP  30   0.753  -6.429  -2.195
  220    HA   ASP  30           HA       ASP  30  -0.235  -8.871  -1.036
  221   1HB   ASP  30          2HB       ASP  30   1.590  -8.982  -2.644
  222   2HB   ASP  30          1HB       ASP  30   2.560  -7.877  -1.672
  223    H    HIS  31           H        HIS  31  -0.421  -9.252   1.100
  224    HA   HIS  31           HA       HIS  31   0.641  -7.191   2.891
  225   1HB   HIS  31          2HB       HIS  31  -1.611  -9.159   3.135
  226   2HB   HIS  31          1HB       HIS  31  -0.945  -8.368   4.560
  227    HD1  HIS  31           1HD      HIS  31  -1.309  -5.786   4.773
  228    HD2  HIS  31           2HD      HIS  31  -3.196  -7.540   1.502
  229    HE1  HIS  31           1HE      HIS  31  -2.934  -4.068   3.920
  230    HE2  HIS  31           2HE      HIS  31  -4.091  -5.149   1.968
  231    H    ILE  32           H        ILE  32   1.859  -9.854   1.730
  232    HA   ILE  32           HA       ILE  32   2.733 -11.081   4.230
  233    HB   ILE  32           HB       ILE  32   3.544 -11.807   1.412
  234   1HG1  ILE  32          1HG1      ILE  32   1.065 -11.925   1.829
  235   2HG1  ILE  32          2HG1      ILE  32   1.837 -13.462   1.369
  236   1HG2  ILE  32          1HG2      ILE  32   4.300 -13.874   2.323
  237   2HG2  ILE  32          2HG2      ILE  32   4.999 -12.574   3.290
  238   3HG2  ILE  32          3HG2      ILE  32   3.623 -13.491   3.906
  239   1HD1  ILE  32          1HD1      ILE  32   1.939 -13.510   4.124
  240   2HD1  ILE  32          2HD1      ILE  32   0.387 -12.741   3.795
  241   3HD1  ILE  32          3HD1      ILE  32   0.745 -14.329   3.114
  242    H    ASN  33           H        ASN  33   4.235  -9.746   1.288
  243    HA   ASN  33           HA       ASN  33   6.554  -8.962   2.938
  244   1HB   ASN  33          2HB       ASN  33   7.615  -8.725   0.528
  245   2HB   ASN  33          1HB       ASN  33   7.521 -10.290   1.324
  246   1HD2  ASN  33          1HD2      ASN  33   6.132 -11.820   0.540
  247   2HD2  ASN  33          2HD2      ASN  33   5.365 -11.670  -0.997
  248    H    LYS  34           H        LYS  34   3.817  -7.777   1.612
  249    HA   LYS  34           HA       LYS  34   2.944  -5.700   1.713
  250   1HB   LYS  34          2HB       LYS  34   5.433  -5.408   3.252
  251   2HB   LYS  34          1HB       LYS  34   4.768  -3.906   2.625
  252   1HG   LYS  34          2HG       LYS  34   3.728  -4.019   4.656
  253   2HG   LYS  34          1HG       LYS  34   2.536  -4.826   3.635
  254   1HD   LYS  34          2HD       LYS  34   3.480  -7.002   4.298
  255   2HD   LYS  34          1HD       LYS  34   4.615  -6.170   5.361
  256   1HE   LYS  34          2HE       LYS  34   2.823  -5.325   6.707
  257   2HE   LYS  34          1HE       LYS  34   1.621  -5.937   5.573
  258   1HZ   LYS  34          1HZ       LYS  34   1.628  -7.505   7.252
  259   2HZ   LYS  34          2HZ       LYS  34   3.314  -7.438   7.465
  260   3HZ   LYS  34          3HZ       LYS  34   2.659  -8.205   6.104
  261    H    ARG  35           H        ARG  35   3.131  -6.000  -0.702
  262    HA   ARG  35           HA       ARG  35   4.523  -3.617  -1.736
  263   1HB   ARG  35          2HB       ARG  35   3.815  -5.614  -3.760
  264   2HB   ARG  35          1HB       ARG  35   5.282  -4.673  -3.577
  265   1HG   ARG  35          2HG       ARG  35   6.050  -6.224  -1.840
  266   2HG   ARG  35          1HG       ARG  35   4.592  -7.189  -2.077
  267   1HD   ARG  35          2HD       ARG  35   5.993  -8.338  -3.452
  268   2HD   ARG  35          1HD       ARG  35   5.424  -7.125  -4.597
  269    HE   ARG  35           HE       ARG  35   7.557  -6.360  -4.741
  270   1HH1  ARG  35          2HH1      ARG  35   7.248  -8.082  -1.699
  271   2HH1  ARG  35          1HH1      ARG  35   8.911  -7.837  -1.253
  272   1HH2  ARG  35          2HH2      ARG  35   9.747  -6.054  -4.146
  273   2HH2  ARG  35          1HH2      ARG  35  10.322  -6.690  -2.631
  274    H    THR  36           H        THR  36   3.152  -2.079  -2.276
  275    HA   THR  36           HA       THR  36   0.376  -2.726  -2.978
  276    HB   THR  36           HB       THR  36   0.596   0.017  -3.056
  277    HG1  THR  36           1HG      THR  36   2.127   0.660  -1.729
  278   1HG2  THR  36          1HG2      THR  36  -0.701   0.010  -1.091
  279   2HG2  THR  36          2HG2      THR  36   0.038  -1.482  -0.511
  280   3HG2  THR  36          3HG2      THR  36  -1.064  -1.523  -1.885
  281    H    THR  37           H        THR  37  -0.084  -2.942  -5.104
  282    HA   THR  37           HA       THR  37   1.382  -1.221  -6.992
  283    HB   THR  37           HB       THR  37   2.298  -3.392  -7.376
  284    HG1  THR  37           1HG      THR  37   0.428  -3.593  -9.405
  285   1HG2  THR  37          1HG2      THR  37  -0.166  -4.344  -6.466
  286   2HG2  THR  37          2HG2      THR  37   1.222  -5.303  -6.987
  287   3HG2  THR  37          3HG2      THR  37  -0.043  -4.880  -8.142
  288    H    TYR  38           H        TYR  38   0.167  -0.069  -8.350
  289    HA   TYR  38           HA       TYR  38  -2.710  -0.191  -8.119
  290   1HB   TYR  38          2HB       TYR  38  -0.761   1.595  -9.539
  291   2HB   TYR  38          1HB       TYR  38  -2.461   1.632  -9.996
  292    HD1  TYR  38           1HD      TYR  38  -3.552   3.446  -9.120
  293    HD2  TYR  38           2HD      TYR  38  -0.614   1.502  -6.732
  294    HE1  TYR  38           1HE      TYR  38  -3.998   5.031  -7.295
  295    HE2  TYR  38           2HE      TYR  38  -1.051   3.084  -4.898
  296    HH   TYR  38           HH       TYR  38  -3.566   5.582  -5.169
  297    H    LEU  39           H        LEU  39  -0.339  -1.616 -10.042
  298    HA   LEU  39           HA       LEU  39  -2.204  -2.105 -12.249
  299   1HB   LEU  39          2HB       LEU  39   0.586  -1.591 -12.149
  300   2HB   LEU  39          1HB       LEU  39   0.374  -3.233 -12.732
  301    HG   LEU  39           HG       LEU  39   0.517  -1.474 -14.517
  302   1HD1  LEU  39          1HD1      LEU  39  -2.137  -2.844 -14.618
  303   2HD1  LEU  39          2HD1      LEU  39  -0.992  -2.537 -15.926
  304   3HD1  LEU  39          3HD1      LEU  39  -0.626  -3.751 -14.700
  305   1HD2  LEU  39          1HD2      LEU  39  -0.942   0.122 -13.116
  306   2HD2  LEU  39          2HD2      LEU  39  -1.169   0.085 -14.865
  307   3HD2  LEU  39          3HD2      LEU  39  -2.299  -0.762 -13.811
  308    H    ASP  40           H        ASP  40  -2.146  -4.269 -13.196
  309    HA   ASP  40           HA       ASP  40  -2.853  -6.173 -11.170
  310   1HB   ASP  40          2HB       ASP  40  -4.083  -5.808 -13.336
  311   2HB   ASP  40          1HB       ASP  40  -2.725  -6.540 -14.174
  312    HA   PRO  41           HA       PRO  41   1.150  -8.232 -11.435
  313   1HB   PRO  41          2HB       PRO  41   1.065  -9.434  -9.059
  314   2HB   PRO  41          1HB       PRO  41   1.329  -7.688  -9.190
  315   1HG   PRO  41          2HG       PRO  41  -1.113  -9.177  -8.384
  316   2HG   PRO  41          1HG       PRO  41  -0.534  -7.589  -7.849
  317   1HD   PRO  41          2HD       PRO  41  -2.517  -8.111  -9.805
  318   2HD   PRO  41          1HD       PRO  41  -1.776  -6.542  -9.437
  319    H    ARG  42           H        ARG  42  -1.702  -9.335 -12.203
  320    HA   ARG  42           HA       ARG  42  -0.887 -12.171 -12.132
  321   1HB   ARG  42          2HB       ARG  42  -3.149 -11.290 -11.110
  322   2HB   ARG  42          1HB       ARG  42  -3.674 -11.297 -12.788
  323   1HG   ARG  42          2HG       ARG  42  -3.072 -13.691 -12.925
  324   2HG   ARG  42          1HG       ARG  42  -2.676 -13.653 -11.202
  325   1HD   ARG  42          2HD       ARG  42  -4.817 -14.228 -10.890
  326   2HD   ARG  42          1HD       ARG  42  -5.165 -12.535 -11.237
  327    HE   ARG  42           HE       ARG  42  -5.704 -14.814 -12.931
  328   1HH1  ARG  42          2HH1      ARG  42  -5.337 -11.333 -12.778
  329   2HH1  ARG  42          1HH1      ARG  42  -6.236 -11.041 -14.233
  330   1HH2  ARG  42          2HH2      ARG  42  -6.923 -14.446 -14.813
  331   2HH2  ARG  42          1HH2      ARG  42  -7.178 -12.817 -15.380
  332    H    LEU  43           H        LEU  43  -1.061  -9.485 -14.066
  333    HA   LEU  43           HA       LEU  43  -2.187 -10.216 -16.470
  334   1HB   LEU  43          2HB       LEU  43   0.160  -8.448 -15.836
  335   2HB   LEU  43          1HB       LEU  43  -0.393  -8.671 -17.483
  336    HG   LEU  43           HG       LEU  43  -2.268  -7.733 -15.336
  337   1HD1  LEU  43          1HD1      LEU  43  -1.620  -5.549 -15.552
  338   2HD1  LEU  43          2HD1      LEU  43  -0.054  -6.348 -15.704
  339   3HD1  LEU  43          3HD1      LEU  43  -0.909  -5.799 -17.145
  340   1HD2  LEU  43          1HD2      LEU  43  -3.627  -7.064 -17.089
  341   2HD2  LEU  43          2HD2      LEU  43  -2.295  -7.042 -18.247
  342   3HD2  LEU  43          3HD2      LEU  43  -2.946  -8.580 -17.681
  343    H    ALA  44           H        ALA  44   1.345 -10.191 -16.064
  344    HA   ALA  44           HA       ALA  44   1.503 -12.390 -18.009
  345   1HB   ALA  44          1HB       ALA  44   3.174 -10.045 -17.379
  346   2HB   ALA  44          2HB       ALA  44   4.026 -11.519 -17.832
  347   3HB   ALA  44          3HB       ALA  44   2.840 -10.817 -18.928
  348    H    PHE  45           H        PHE  45   0.878 -12.787 -15.245
  349    HA   PHE  45           HA       PHE  45   3.309 -14.087 -14.223
  350   1HB   PHE  45          2HB       PHE  45   0.887 -13.012 -12.780
  351   2HB   PHE  45          1HB       PHE  45   2.081 -14.044 -12.002
  352    HD1  PHE  45           1HD      PHE  45   3.645 -12.955 -10.727
  353    HD2  PHE  45           2HD      PHE  45   2.053 -10.975 -14.137
  354    HE1  PHE  45           1HE      PHE  45   4.994 -10.968 -10.197
  355    HE2  PHE  45           2HE      PHE  45   3.398  -8.985 -13.620
  356    HZ   PHE  45           HZ       PHE  45   4.869  -8.979 -11.646
  357    H    THR  46           H        THR  46  -0.086 -14.620 -13.465
  358    HA   THR  46           HA       THR  46   0.028 -17.284 -14.659
  359    HB   THR  46           HB       THR  46  -1.063 -16.955 -11.870
  360    HG1  THR  46           1HG      THR  46   1.595 -17.541 -12.691
  361   1HG2  THR  46          1HG2      THR  46   0.049 -19.444 -13.138
  362   2HG2  THR  46          2HG2      THR  46  -1.616 -18.937 -13.422
  363   3HG2  THR  46          3HG2      THR  46  -1.074 -19.297 -11.785
  364    H    VAL  47           H        VAL  47  -1.498 -16.821 -16.188
  365    HA   VAL  47           HA       VAL  47  -4.094 -15.799 -15.231
  366    HB   VAL  47           HB       VAL  47  -2.777 -14.574 -17.088
  367   1HG1  VAL  47          1HG1      VAL  47  -3.541 -17.084 -18.470
  368   2HG1  VAL  47          2HG1      VAL  47  -3.644 -15.575 -19.379
  369   3HG1  VAL  47          3HG1      VAL  47  -2.110 -16.072 -18.661
  370   1HG2  VAL  47          1HG2      VAL  47  -5.058 -14.016 -16.499
  371   2HG2  VAL  47          2HG2      VAL  47  -4.854 -13.960 -18.251
  372   3HG2  VAL  47          3HG2      VAL  47  -5.665 -15.336 -17.502
  373    H    ASP  48           H        ASP  48  -2.602 -18.599 -15.796
  374    HA   ASP  48           HA       ASP  48  -4.717 -19.897 -17.310
  375   1HB   ASP  48          2HB       ASP  48  -3.229 -21.931 -17.094
  376   2HB   ASP  48          1HB       ASP  48  -2.543 -20.581 -17.987
  377    H    ASP  49           H        ASP  49  -4.501 -18.984 -14.259
  378    HA   ASP  49           HA       ASP  49  -5.847 -19.397 -12.479
  379   1HB   ASP  49          2HB       ASP  49  -7.654 -20.019 -13.900
  380   2HB   ASP  49          1HB       ASP  49  -6.921 -21.574 -14.267
  381    H    ASN  50           H        ASN  50  -4.788 -22.552 -13.762
  382    HA   ASN  50           HA       ASN  50  -3.759 -24.338 -12.794
  383   1HB   ASN  50          2HB       ASN  50  -2.043 -22.465 -12.412
  384   2HB   ASN  50          1HB       ASN  50  -2.626 -22.426 -10.753
  385   1HD2  ASN  50          1HD2      ASN  50  -0.263 -22.911 -10.528
  386   2HD2  ASN  50          2HD2      ASN  50   0.192 -24.576 -10.447
  387    HA   PRO  51           HA       PRO  51  -6.841 -24.472  -9.322
  388   1HB   PRO  51          2HB       PRO  51  -8.637 -26.130 -10.402
  389   2HB   PRO  51          1HB       PRO  51  -8.598 -24.414 -10.834
  390   1HG   PRO  51          2HG       PRO  51  -7.574 -26.779 -12.343
  391   2HG   PRO  51          1HG       PRO  51  -8.397 -25.334 -12.954
  392   1HD   PRO  51          2HD       PRO  51  -5.653 -25.757 -12.993
  393   2HD   PRO  51          1HD       PRO  51  -6.442 -24.177 -13.125
  394    H    THR  52           H        THR  52  -4.937 -26.751 -10.988
  395    HA   THR  52           HA       THR  52  -5.783 -29.099  -9.588
  396    HB   THR  52           HB       THR  52  -3.287 -29.660 -10.638
  397    HG1  THR  52           1HG      THR  52  -3.053 -27.721 -11.686
  398   1HG2  THR  52          1HG2      THR  52  -6.021 -29.817 -11.908
  399   2HG2  THR  52          2HG2      THR  52  -5.220 -31.058 -10.946
  400   3HG2  THR  52          3HG2      THR  52  -4.585 -30.626 -12.535
  401    H    LYS  53           H        LYS  53  -4.415 -30.386  -8.231
  402    HA   LYS  53           HA       LYS  53  -2.270 -28.929  -6.844
  403   1HB   LYS  53          2HB       LYS  53  -4.575 -29.354  -5.598
  404   2HB   LYS  53          1HB       LYS  53  -3.900 -30.963  -5.374
  405   1HG   LYS  53          2HG       LYS  53  -2.033 -30.092  -4.173
  406   2HG   LYS  53          1HG       LYS  53  -2.489 -28.433  -4.563
  407   1HD   LYS  53          2HD       LYS  53  -3.354 -28.570  -2.458
  408   2HD   LYS  53          1HD       LYS  53  -4.736 -29.168  -3.371
  409   1HE   LYS  53          2HE       LYS  53  -2.751 -31.189  -2.555
  410   2HE   LYS  53          1HE       LYS  53  -3.676 -30.441  -1.253
  411   1HZ   LYS  53          1HZ       LYS  53  -4.504 -32.369  -3.195
  412   2HZ   LYS  53          2HZ       LYS  53  -5.544 -31.027  -3.154
  413   3HZ   LYS  53          3HZ       LYS  53  -5.248 -31.910  -1.741
  414    HA   PRO  54           HA       PRO  54  -0.761 -32.839  -8.838
  415   1HB   PRO  54          2HB       PRO  54   1.722 -31.246  -8.964
  416   2HB   PRO  54          1HB       PRO  54   0.887 -32.134 -10.243
  417   1HG   PRO  54          2HG       PRO  54   0.852 -29.464 -10.167
  418   2HG   PRO  54          1HG       PRO  54  -0.566 -30.391 -10.689
  419   1HD   PRO  54          2HD       PRO  54  -0.025 -29.078  -8.052
  420   2HD   PRO  54          1HD       PRO  54  -1.529 -29.125  -8.997
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -14.757  -1.704   1.844
    2   2H    GLY   1          2H        GLY   1 -14.542  -0.367   2.866
    3   3H    GLY   1          3H        GLY   1 -16.099  -0.979   2.586
    4   1HA   GLY   1          2HA       GLY   1 -14.402  -1.637   4.650
    5   2HA   GLY   1          1HA       GLY   1 -15.929  -2.408   4.242
    6    H    SER   2           H        SER   2 -14.739  -4.263   5.230
    7    HA   SER   2           HA       SER   2 -12.730  -5.477   3.506
    8   1HB   SER   2          2HB       SER   2 -13.323  -7.268   5.553
    9   2HB   SER   2          1HB       SER   2 -11.988  -6.116   5.530
   10    HG   SER   2           HG       SER   2 -13.327  -4.616   6.594
   11    H    ALA   3           H        ALA   3 -16.088  -5.536   4.052
   12    HA   ALA   3           HA       ALA   3 -16.662  -8.202   3.264
   13   1HB   ALA   3          1HB       ALA   3 -18.957  -7.042   2.719
   14   2HB   ALA   3          2HB       ALA   3 -18.423  -7.263   4.385
   15   3HB   ALA   3          3HB       ALA   3 -18.233  -5.695   3.600
   16    H    LYS   4           H        LYS   4 -15.886  -8.892   1.355
   17    HA   LYS   4           HA       LYS   4 -16.250  -7.252  -1.031
   18   1HB   LYS   4          2HB       LYS   4 -14.141  -8.674  -0.496
   19   2HB   LYS   4          1HB       LYS   4 -15.119 -10.040  -1.013
   20   1HG   LYS   4          2HG       LYS   4 -14.562  -9.618  -3.101
   21   2HG   LYS   4          1HG       LYS   4 -15.394  -8.066  -2.997
   22   1HD   LYS   4          2HD       LYS   4 -13.208  -7.536  -3.673
   23   2HD   LYS   4          1HD       LYS   4 -13.240  -7.182  -1.944
   24   1HE   LYS   4          2HE       LYS   4 -11.612  -8.647  -1.555
   25   2HE   LYS   4          1HE       LYS   4 -12.508  -9.923  -2.375
   26   1HZ   LYS   4          1HZ       LYS   4 -11.257  -9.737  -4.189
   27   2HZ   LYS   4          2HZ       LYS   4 -10.171  -8.861  -3.225
   28   3HZ   LYS   4          3HZ       LYS   4 -11.306  -8.039  -4.185
   29    H    ARG   5           H        ARG   5 -16.609 -10.752  -0.752
   30    HA   ARG   5           HA       ARG   5 -18.367 -12.173  -0.915
   31   1HB   ARG   5          2HB       ARG   5 -19.745  -9.645  -0.277
   32   2HB   ARG   5          1HB       ARG   5 -20.730 -10.849  -1.093
   33   1HG   ARG   5          2HG       ARG   5 -21.116 -11.465   1.058
   34   2HG   ARG   5          1HG       ARG   5 -19.671 -12.432   0.753
   35   1HD   ARG   5          2HD       ARG   5 -18.722 -11.435   2.493
   36   2HD   ARG   5          1HD       ARG   5 -18.729  -9.935   1.569
   37    HE   ARG   5           HE       ARG   5 -21.208  -9.987   2.641
   38   1HH1  ARG   5          2HH1      ARG   5 -18.005 -10.343   4.022
   39   2HH1  ARG   5          1HH1      ARG   5 -18.461  -9.682   5.568
   40   1HH2  ARG   5          2HH2      ARG   5 -21.800  -9.098   4.646
   41   2HH2  ARG   5          1HH2      ARG   5 -20.614  -8.954   5.916
   42    H    LYS   6           H        LYS   6 -18.826  -9.288  -2.942
   43    HA   LYS   6           HA       LYS   6 -20.351 -10.629  -4.920
   44   1HB   LYS   6          2HB       LYS   6 -19.288  -7.953  -4.477
   45   2HB   LYS   6          1HB       LYS   6 -19.230  -8.421  -6.171
   46   1HG   LYS   6          2HG       LYS   6 -21.593  -8.056  -4.387
   47   2HG   LYS   6          1HG       LYS   6 -21.300  -7.424  -6.008
   48   1HD   LYS   6          2HD       LYS   6 -21.354  -9.933  -6.699
   49   2HD   LYS   6          1HD       LYS   6 -22.196 -10.150  -5.163
   50   1HE   LYS   6          2HE       LYS   6 -24.036  -8.962  -5.851
   51   2HE   LYS   6          1HE       LYS   6 -23.120  -8.010  -7.020
   52   1HZ   LYS   6          1HZ       LYS   6 -22.870 -10.155  -8.297
   53   2HZ   LYS   6          2HZ       LYS   6 -24.426  -9.486  -8.271
   54   3HZ   LYS   6          3HZ       LYS   6 -24.059 -10.806  -7.277
   55    H    ARG   7           H        ARG   7 -19.556 -12.257  -6.047
   56    HA   ARG   7           HA       ARG   7 -16.797 -12.320  -6.922
   57   1HB   ARG   7          2HB       ARG   7 -18.416 -14.297  -6.200
   58   2HB   ARG   7          1HB       ARG   7 -18.853 -14.257  -7.900
   59   1HG   ARG   7          2HG       ARG   7 -17.180 -15.873  -7.763
   60   2HG   ARG   7          1HG       ARG   7 -16.352 -14.436  -8.373
   61   1HD   ARG   7          2HD       ARG   7 -16.437 -15.097  -5.440
   62   2HD   ARG   7          1HD       ARG   7 -15.203 -15.766  -6.508
   63    HE   ARG   7           HE       ARG   7 -15.247 -13.165  -5.404
   64   1HH1  ARG   7          2HH1      ARG   7 -14.324 -14.918  -8.304
   65   2HH1  ARG   7          1HH1      ARG   7 -13.280 -13.652  -8.872
   66   1HH2  ARG   7          2HH2      ARG   7 -13.850 -11.540  -6.127
   67   2HH2  ARG   7          1HH2      ARG   7 -13.015 -11.728  -7.638
   68    H    VAL   8           H        VAL   8 -17.280 -10.199  -8.067
   69    HA   VAL   8           HA       VAL   8 -18.895 -10.303 -10.440
   70    HB   VAL   8           HB       VAL   8 -18.904  -8.202  -9.433
   71   1HG1  VAL   8          1HG1      VAL   8 -16.535  -7.012  -9.169
   72   2HG1  VAL   8          2HG1      VAL   8 -17.240  -8.016  -7.901
   73   3HG1  VAL   8          3HG1      VAL   8 -16.018  -8.688  -8.981
   74   1HG2  VAL   8          1HG2      VAL   8 -18.540  -6.904 -11.226
   75   2HG2  VAL   8          2HG2      VAL   8 -16.836  -7.344 -11.326
   76   3HG2  VAL   8          3HG2      VAL   8 -18.064  -8.408 -12.012
   77    H    ALA   9           H        ALA   9 -15.403 -10.232  -9.784
   78    HA   ALA   9           HA       ALA   9 -14.912 -11.286 -12.456
   79   1HB   ALA   9          1HB       ALA   9 -14.195  -8.568 -11.577
   80   2HB   ALA   9          2HB       ALA   9 -12.898  -9.478 -12.351
   81   3HB   ALA   9          3HB       ALA   9 -14.420  -9.216 -13.203
   82    H    GLY  10           H        GLY  10 -12.365 -11.582 -12.634
   83   1HA   GLY  10          1HA       GLY  10 -11.634 -13.526 -10.777
   84   2HA   GLY  10          2HA       GLY  10 -10.529 -12.724 -11.883
   85    H    ASP  11           H        ASP  11 -10.657 -13.536  -8.861
   86    HA   ASP  11           HA       ASP  11  -9.970 -10.936  -7.706
   87   1HB   ASP  11          2HB       ASP  11 -11.536 -12.866  -6.661
   88   2HB   ASP  11          1HB       ASP  11  -9.982 -13.376  -6.011
   89    H    LEU  12           H        LEU  12  -8.251 -11.377  -5.853
   90    HA   LEU  12           HA       LEU  12  -5.837 -12.095  -7.337
   91   1HB   LEU  12          2HB       LEU  12  -5.937 -10.699  -4.685
   92   2HB   LEU  12          1HB       LEU  12  -4.686 -10.634  -5.909
   93    HG   LEU  12           HG       LEU  12  -7.336  -9.600  -6.703
   94   1HD1  LEU  12          1HD1      LEU  12  -6.009  -7.441  -5.495
   95   2HD1  LEU  12          2HD1      LEU  12  -7.557  -8.151  -5.038
   96   3HD1  LEU  12          3HD1      LEU  12  -6.065  -8.728  -4.291
   97   1HD2  LEU  12          1HD2      LEU  12  -5.726  -9.382  -8.341
   98   2HD2  LEU  12          2HD2      LEU  12  -5.682  -7.798  -7.562
   99   3HD2  LEU  12          3HD2      LEU  12  -4.447  -9.005  -7.181
  100    HA   PRO  13           HA       PRO  13  -4.436 -15.451  -4.667
  101   1HB   PRO  13          2HB       PRO  13  -2.140 -13.652  -4.012
  102   2HB   PRO  13          1HB       PRO  13  -2.126 -15.345  -4.526
  103   1HG   PRO  13          2HG       PRO  13  -1.492 -13.454  -6.254
  104   2HG   PRO  13          1HG       PRO  13  -2.529 -14.800  -6.760
  105   1HD   PRO  13          2HD       PRO  13  -3.273 -11.983  -6.088
  106   2HD   PRO  13          1HD       PRO  13  -3.904 -13.043  -7.366
  107    H    TYR  14           H        TYR  14  -3.577 -15.782  -2.367
  108    HA   TYR  14           HA       TYR  14  -5.505 -14.669  -0.624
  109   1HB   TYR  14          2HB       TYR  14  -4.956 -16.767   0.066
  110   2HB   TYR  14          1HB       TYR  14  -3.280 -16.617  -0.443
  111    HD1  TYR  14           1HD      TYR  14  -5.671 -15.903   2.269
  112    HD2  TYR  14           2HD      TYR  14  -1.585 -15.903   1.082
  113    HE1  TYR  14           1HE      TYR  14  -4.996 -15.592   4.611
  114    HE2  TYR  14           2HE      TYR  14  -0.901 -15.599   3.416
  115    HH   TYR  14           HH       TYR  14  -3.046 -14.694   5.871
  116    H    GLY  15           H        GLY  15  -2.050 -14.067  -1.050
  117   1HA   GLY  15          1HA       GLY  15  -1.745 -12.347   1.177
  118   2HA   GLY  15          2HA       GLY  15  -0.668 -12.442  -0.212
  119    H    TRP  16           H        TRP  16  -2.932 -11.755  -2.043
  120    HA   TRP  16           HA       TRP  16  -2.423  -8.921  -1.918
  121   1HB   TRP  16          2HB       TRP  16  -3.795 -10.676  -3.942
  122   2HB   TRP  16          1HB       TRP  16  -3.649  -8.927  -4.119
  123    HD1  TRP  16           HD       TRP  16  -1.569 -12.116  -4.146
  124    HE1  TRP  16           1HE      TRP  16   0.725 -11.635  -5.181
  125    HE3  TRP  16           3HE      TRP  16  -2.011  -7.067  -4.497
  126    HZ2  TRP  16           2HZ      TRP  16   2.165  -9.287  -6.049
  127    HZ3  TRP  16           3HZ      TRP  16  -0.156  -5.766  -5.418
  128    HH2  TRP  16           HH       TRP  16   1.895  -6.852  -6.180
  129    H    GLU  17           H        GLU  17  -3.668  -7.502  -0.977
  130    HA   GLU  17           HA       GLU  17  -6.539  -8.043  -0.672
  131   1HB   GLU  17          2HB       GLU  17  -4.536  -6.537   0.852
  132   2HB   GLU  17          1HB       GLU  17  -6.046  -5.666   0.621
  133   1HG   GLU  17          2HG       GLU  17  -6.752  -8.278   1.360
  134   2HG   GLU  17          1HG       GLU  17  -5.443  -7.786   2.435
  135    H    GLN  18           H        GLN  18  -7.989  -6.987  -1.865
  136    HA   GLN  18           HA       GLN  18  -7.087  -5.010  -3.781
  137   1HB   GLN  18          2HB       GLN  18  -8.643  -6.693  -4.545
  138   2HB   GLN  18          1HB       GLN  18  -9.786  -6.275  -3.278
  139   1HG   GLN  18          2HG       GLN  18 -10.019  -4.036  -4.310
  140   2HG   GLN  18          1HG       GLN  18  -8.986  -4.587  -5.630
  141   1HE2  GLN  18          1HE2      GLN  18 -10.952  -3.950  -6.821
  142   2HE2  GLN  18          2HE2      GLN  18 -12.184  -5.134  -7.056
  143    H    GLU  19           H        GLU  19  -6.693  -3.078  -2.881
  144    HA   GLU  19           HA       GLU  19  -8.654  -1.984  -0.975
  145   1HB   GLU  19          2HB       GLU  19  -5.891  -0.897  -1.443
  146   2HB   GLU  19          1HB       GLU  19  -6.930  -0.665  -0.048
  147   1HG   GLU  19          2HG       GLU  19  -6.345  -3.458  -0.419
  148   2HG   GLU  19          1HG       GLU  19  -4.863  -2.503  -0.364
  149    H    THR  20           H        THR  20  -8.708   0.500  -1.056
  150    HA   THR  20           HA       THR  20  -8.565   1.455  -3.836
  151    HB   THR  20           HB       THR  20 -10.651   2.380  -1.859
  152    HG1  THR  20           1HG      THR  20 -10.528   0.051  -3.232
  153   1HG2  THR  20          1HG2      THR  20 -11.164   3.871  -3.440
  154   2HG2  THR  20          2HG2      THR  20 -11.340   2.584  -4.632
  155   3HG2  THR  20          3HG2      THR  20  -9.762   3.320  -4.363
  156    H    ASP  21           H        ASP  21  -7.695   3.462  -4.135
  157    HA   ASP  21           HA       ASP  21  -6.265   4.574  -1.892
  158   1HB   ASP  21          2HB       ASP  21  -4.811   5.346  -3.425
  159   2HB   ASP  21          1HB       ASP  21  -5.686   4.350  -4.568
  160    H    GLU  22           H        GLU  22  -6.161   7.121  -2.109
  161    HA   GLU  22           HA       GLU  22  -8.658   7.931  -0.994
  162   1HB   GLU  22          2HB       GLU  22  -7.369  10.260  -1.118
  163   2HB   GLU  22          1HB       GLU  22  -7.007   9.046   0.099
  164   1HG   GLU  22          2HG       GLU  22  -4.923   8.896  -0.609
  165   2HG   GLU  22          1HG       GLU  22  -5.466   8.517  -2.244
  166    H    ASN  23           H        ASN  23  -7.223   8.193  -4.135
  167    HA   ASN  23           HA       ASN  23  -9.063  10.246  -5.043
  168   1HB   ASN  23          2HB       ASN  23  -6.956   8.567  -6.390
  169   2HB   ASN  23          1HB       ASN  23  -8.066   9.564  -7.323
  170   1HD2  ASN  23          1HD2      ASN  23  -5.390   9.529  -5.140
  171   2HD2  ASN  23          2HD2      ASN  23  -4.998  11.215  -5.275
  172    H    GLY  24           H        GLY  24  -9.161   6.940  -4.525
  173   1HA   GLY  24          1HA       GLY  24 -11.157   5.692  -4.677
  174   2HA   GLY  24          2HA       GLY  24 -11.710   6.768  -5.949
  175    H    GLN  25           H        GLN  25  -8.495   5.838  -6.403
  176    HA   GLN  25           HA       GLN  25  -9.205   4.058  -8.541
  177   1HB   GLN  25          2HB       GLN  25  -6.462   4.705  -7.459
  178   2HB   GLN  25          1HB       GLN  25  -6.815   3.918  -8.987
  179   1HG   GLN  25          2HG       GLN  25  -7.491   5.866  -9.992
  180   2HG   GLN  25          1HG       GLN  25  -7.888   6.645  -8.460
  181   1HE2  GLN  25          1HE2      GLN  25  -6.000   7.039  -7.010
  182   2HE2  GLN  25          2HE2      GLN  25  -4.525   7.580  -7.754
  183    H    VAL  26           H        VAL  26  -8.985   1.844  -8.537
  184    HA   VAL  26           HA       VAL  26  -8.575   0.650  -5.927
  185    HB   VAL  26           HB       VAL  26 -10.351  -0.055  -7.709
  186   1HG1  VAL  26          1HG1      VAL  26  -9.521  -2.195  -8.839
  187   2HG1  VAL  26          2HG1      VAL  26  -9.094  -0.651  -9.578
  188   3HG1  VAL  26          3HG1      VAL  26  -7.908  -1.521  -8.608
  189   1HG2  VAL  26          1HG2      VAL  26  -9.578  -1.060  -5.395
  190   2HG2  VAL  26          2HG2      VAL  26 -10.758  -1.875  -6.426
  191   3HG2  VAL  26          3HG2      VAL  26  -9.069  -2.394  -6.436
  192    H    PHE  27           H        PHE  27  -7.081  -0.930  -5.491
  193    HA   PHE  27           HA       PHE  27  -4.958  -1.501  -7.337
  194   1HB   PHE  27          2HB       PHE  27  -3.133  -0.478  -6.126
  195   2HB   PHE  27          1HB       PHE  27  -4.312   0.767  -6.503
  196    HD1  PHE  27           1HD      PHE  27  -2.625  -1.069  -3.865
  197    HD2  PHE  27           2HD      PHE  27  -5.734   1.703  -4.744
  198    HE1  PHE  27           1HE      PHE  27  -2.732  -0.436  -1.493
  199    HE2  PHE  27           2HE      PHE  27  -5.836   2.350  -2.380
  200    HZ   PHE  27           HZ       PHE  27  -4.349   1.280  -0.755
  201    H    PHE  28           H        PHE  28  -3.384  -2.947  -6.440
  202    HA   PHE  28           HA       PHE  28  -4.632  -4.624  -4.367
  203   1HB   PHE  28          2HB       PHE  28  -2.815  -5.608  -6.559
  204   2HB   PHE  28          1HB       PHE  28  -3.938  -6.541  -5.570
  205    HD1  PHE  28           1HD      PHE  28  -6.462  -5.408  -5.752
  206    HD2  PHE  28           2HD      PHE  28  -3.448  -5.438  -8.752
  207    HE1  PHE  28           1HE      PHE  28  -8.180  -5.165  -7.477
  208    HE2  PHE  28           2HE      PHE  28  -5.163  -5.181 -10.482
  209    HZ   PHE  28           HZ       PHE  28  -7.541  -5.043  -9.852
  210    H    VAL  29           H        VAL  29  -3.434  -5.138  -2.632
  211    HA   VAL  29           HA       VAL  29  -0.540  -4.726  -2.833
  212    HB   VAL  29           HB       VAL  29  -0.848  -2.909  -1.553
  213   1HG1  VAL  29          1HG1      VAL  29  -3.451  -4.134  -0.839
  214   2HG1  VAL  29          2HG1      VAL  29  -2.802  -2.852   0.184
  215   3HG1  VAL  29          3HG1      VAL  29  -3.088  -2.553  -1.528
  216   1HG2  VAL  29          1HG2      VAL  29   0.018  -4.986  -0.056
  217   2HG2  VAL  29          2HG2      VAL  29  -0.061  -3.319   0.520
  218   3HG2  VAL  29          3HG2      VAL  29  -1.361  -4.446   0.907
  219    H    ASP  30           H        ASP  30   0.496  -6.469  -2.485
  220    HA   ASP  30           HA       ASP  30  -0.568  -8.754  -1.142
  221   1HB   ASP  30          2HB       ASP  30   1.193  -8.757  -2.987
  222   2HB   ASP  30          1HB       ASP  30   2.337  -8.179  -1.775
  223    H    HIS  31           H        HIS  31  -0.671  -9.002   1.014
  224    HA   HIS  31           HA       HIS  31   0.839  -7.117   2.667
  225   1HB   HIS  31          2HB       HIS  31  -1.566  -8.846   3.165
  226   2HB   HIS  31          1HB       HIS  31  -0.646  -8.193   4.517
  227    HD1  HIS  31           1HD      HIS  31  -0.497  -5.506   4.616
  228    HD2  HIS  31           2HD      HIS  31  -3.318  -7.101   2.004
  229    HE1  HIS  31           1HE      HIS  31  -2.054  -3.611   4.055
  230    HE2  HIS  31           2HE      HIS  31  -3.826  -4.619   2.573
  231    H    ILE  32           H        ILE  32   1.362 -10.058   1.394
  232    HA   ILE  32           HA       ILE  32   2.880 -11.060   3.704
  233    HB   ILE  32           HB       ILE  32   2.478 -12.407   1.029
  234   1HG1  ILE  32          1HG1      ILE  32   0.336 -11.879   2.327
  235   2HG1  ILE  32          2HG1      ILE  32   0.609 -13.570   1.844
  236   1HG2  ILE  32          1HG2      ILE  32   4.191 -12.988   3.136
  237   2HG2  ILE  32          2HG2      ILE  32   2.857 -14.130   3.315
  238   3HG2  ILE  32          3HG2      ILE  32   3.754 -14.050   1.797
  239   1HD1  ILE  32          1HD1      ILE  32   0.255 -12.432   4.482
  240   2HD1  ILE  32          2HD1      ILE  32   0.206 -14.120   3.961
  241   3HD1  ILE  32          3HD1      ILE  32   1.748 -13.367   4.376
  242    H    ASN  33           H        ASN  33   3.227 -10.408   0.235
  243    HA   ASN  33           HA       ASN  33   6.132 -10.370   0.464
  244   1HB   ASN  33          2HB       ASN  33   4.247 -10.115  -1.885
  245   2HB   ASN  33          1HB       ASN  33   5.984  -9.924  -2.036
  246   1HD2  ASN  33          1HD2      ASN  33   3.446 -12.069  -2.098
  247   2HD2  ASN  33          2HD2      ASN  33   4.365 -13.538  -2.021
  248    H    LYS  34           H        LYS  34   3.579  -8.202   0.717
  249    HA   LYS  34           HA       LYS  34   3.450  -5.981   1.104
  250   1HB   LYS  34          2HB       LYS  34   6.382  -6.429   1.518
  251   2HB   LYS  34          1HB       LYS  34   5.699  -4.815   1.621
  252   1HG   LYS  34          2HG       LYS  34   4.943  -7.190   3.308
  253   2HG   LYS  34          1HG       LYS  34   5.876  -5.786   3.823
  254   1HD   LYS  34          2HD       LYS  34   3.048  -5.613   2.795
  255   2HD   LYS  34          1HD       LYS  34   3.450  -5.789   4.503
  256   1HE   LYS  34          2HE       LYS  34   4.914  -3.651   3.148
  257   2HE   LYS  34          1HE       LYS  34   3.169  -3.413   3.179
  258   1HZ   LYS  34          1HZ       LYS  34   3.670  -4.171   5.705
  259   2HZ   LYS  34          2HZ       LYS  34   3.586  -2.555   5.191
  260   3HZ   LYS  34          3HZ       LYS  34   5.091  -3.323   5.336
  261    H    ARG  35           H        ARG  35   3.039  -6.372  -1.435
  262    HA   ARG  35           HA       ARG  35   4.544  -4.185  -2.716
  263   1HB   ARG  35          2HB       ARG  35   3.252  -6.115  -4.523
  264   2HB   ARG  35          1HB       ARG  35   4.789  -5.287  -4.677
  265   1HG   ARG  35          2HG       ARG  35   4.742  -7.313  -2.572
  266   2HG   ARG  35          1HG       ARG  35   4.472  -7.945  -4.198
  267   1HD   ARG  35          2HD       ARG  35   6.555  -7.348  -4.924
  268   2HD   ARG  35          1HD       ARG  35   6.679  -5.994  -3.803
  269    HE   ARG  35           HE       ARG  35   6.985  -7.732  -2.028
  270   1HH1  ARG  35          2HH1      ARG  35   7.894  -8.344  -5.362
  271   2HH1  ARG  35          1HH1      ARG  35   9.014  -9.600  -4.956
  272   1HH2  ARG  35          2HH2      ARG  35   8.459  -9.418  -1.507
  273   2HH2  ARG  35          1HH2      ARG  35   9.307 -10.243  -2.785
  274    H    THR  36           H        THR  36   3.329  -2.480  -3.207
  275    HA   THR  36           HA       THR  36   0.414  -2.788  -3.481
  276    HB   THR  36           HB       THR  36   0.951  -0.099  -3.678
  277    HG1  THR  36           1HG      THR  36   2.512   0.377  -2.136
  278   1HG2  THR  36          1HG2      THR  36  -0.248  -1.909  -1.820
  279   2HG2  THR  36          2HG2      THR  36  -0.632  -0.214  -2.127
  280   3HG2  THR  36          3HG2      THR  36   0.599  -0.642  -0.938
  281    H    THR  37           H        THR  37  -0.268  -3.045  -5.545
  282    HA   THR  37           HA       THR  37   1.041  -1.421  -7.622
  283    HB   THR  37           HB       THR  37   1.750  -3.602  -8.179
  284    HG1  THR  37           1HG      THR  37  -0.345  -3.864  -9.881
  285   1HG2  THR  37          1HG2      THR  37   0.715  -5.436  -7.458
  286   2HG2  THR  37          2HG2      THR  37  -0.657  -5.088  -8.513
  287   3HG2  THR  37          3HG2      THR  37  -0.620  -4.442  -6.874
  288    H    TYR  38           H        TYR  38  -0.271  -0.241  -8.887
  289    HA   TYR  38           HA       TYR  38  -3.085  -0.184  -8.228
  290   1HB   TYR  38          2HB       TYR  38  -1.237   1.549  -9.818
  291   2HB   TYR  38          1HB       TYR  38  -2.976   1.692 -10.071
  292    HD1  TYR  38           1HD      TYR  38  -4.340   2.845  -8.504
  293    HD2  TYR  38           2HD      TYR  38  -0.295   1.967  -7.537
  294    HE1  TYR  38           1HE      TYR  38  -4.499   4.305  -6.533
  295    HE2  TYR  38           2HE      TYR  38  -0.439   3.426  -5.569
  296    HH   TYR  38           HH       TYR  38  -2.553   5.697  -5.104
  297    H    LEU  39           H        LEU  39  -1.257  -1.949 -10.325
  298    HA   LEU  39           HA       LEU  39  -3.550  -2.338 -12.136
  299   1HB   LEU  39          2HB       LEU  39  -0.867  -1.666 -12.780
  300   2HB   LEU  39          1HB       LEU  39  -1.132  -3.321 -13.301
  301    HG   LEU  39           HG       LEU  39  -1.563  -1.653 -15.077
  302   1HD1  LEU  39          1HD1      LEU  39  -3.342  -2.783 -15.980
  303   2HD1  LEU  39          2HD1      LEU  39  -2.807  -3.919 -14.743
  304   3HD1  LEU  39          3HD1      LEU  39  -4.202  -2.880 -14.442
  305   1HD2  LEU  39          1HD2      LEU  39  -3.939  -0.828 -13.426
  306   2HD2  LEU  39          2HD2      LEU  39  -2.449   0.105 -13.545
  307   3HD2  LEU  39          3HD2      LEU  39  -3.431  -0.171 -14.982
  308    H    ASP  40           H        ASP  40  -3.543  -4.564 -13.108
  309    HA   ASP  40           HA       ASP  40  -3.567  -6.506 -11.034
  310   1HB   ASP  40          2HB       ASP  40  -4.783  -6.275 -13.482
  311   2HB   ASP  40          1HB       ASP  40  -3.581  -7.513 -13.800
  312    HA   PRO  41           HA       PRO  41   0.572  -8.014 -11.852
  313   1HB   PRO  41          2HB       PRO  41   0.887  -9.356  -9.548
  314   2HB   PRO  41          1HB       PRO  41   0.966  -7.591  -9.604
  315   1HG   PRO  41          2HG       PRO  41  -1.160  -9.350  -8.550
  316   2HG   PRO  41          1HG       PRO  41  -0.747  -7.686  -8.105
  317   1HD   PRO  41          2HD       PRO  41  -2.825  -8.567  -9.868
  318   2HD   PRO  41          1HD       PRO  41  -2.363  -6.909  -9.470
  319    H    ARG  42           H        ARG  42   0.963 -10.575 -10.456
  320    HA   ARG  42           HA       ARG  42   0.884 -12.796 -10.839
  321   1HB   ARG  42          2HB       ARG  42  -1.135 -13.670 -10.496
  322   2HB   ARG  42          1HB       ARG  42  -1.730 -12.018 -10.508
  323   1HG   ARG  42          2HG       ARG  42  -1.932 -12.405 -13.082
  324   2HG   ARG  42          1HG       ARG  42  -1.902 -14.112 -12.629
  325   1HD   ARG  42          2HD       ARG  42  -3.721 -12.330 -11.108
  326   2HD   ARG  42          1HD       ARG  42  -4.162 -12.702 -12.774
  327    HE   ARG  42           HE       ARG  42  -3.635 -15.140 -11.802
  328   1HH1  ARG  42          2HH1      ARG  42  -5.590 -12.509 -10.547
  329   2HH1  ARG  42          1HH1      ARG  42  -6.685 -13.565  -9.700
  330   1HH2  ARG  42          2HH2      ARG  42  -5.058 -16.526 -10.683
  331   2HH2  ARG  42          1HH2      ARG  42  -6.409 -15.857  -9.808
  332    H    LEU  43           H        LEU  43   0.151 -10.719 -13.518
  333    HA   LEU  43           HA       LEU  43   0.048 -12.534 -15.619
  334   1HB   LEU  43          2HB       LEU  43   0.898  -9.673 -15.343
  335   2HB   LEU  43          1HB       LEU  43   1.065 -10.492 -16.879
  336    HG   LEU  43           HG       LEU  43  -1.060  -9.033 -16.266
  337   1HD1  LEU  43          1HD1      LEU  43  -2.227 -10.172 -18.015
  338   2HD1  LEU  43          2HD1      LEU  43  -0.504 -10.163 -18.390
  339   3HD1  LEU  43          3HD1      LEU  43  -1.262 -11.626 -17.763
  340   1HD2  LEU  43          1HD2      LEU  43  -2.560  -9.930 -14.915
  341   2HD2  LEU  43          2HD2      LEU  43  -2.596 -11.402 -15.887
  342   3HD2  LEU  43          3HD2      LEU  43  -1.433 -11.246 -14.573
  343    H    ALA  44           H        ALA  44   2.808 -10.376 -15.591
  344    HA   ALA  44           HA       ALA  44   4.556 -12.697 -16.043
  345   1HB   ALA  44          1HB       ALA  44   5.940 -10.316 -16.647
  346   2HB   ALA  44          2HB       ALA  44   5.323 -11.527 -17.771
  347   3HB   ALA  44          3HB       ALA  44   4.319 -10.149 -17.318
  348    H    PHE  45           H        PHE  45   3.607 -10.987 -13.565
  349    HA   PHE  45           HA       PHE  45   6.267 -10.790 -12.316
  350   1HB   PHE  45          2HB       PHE  45   4.190  -9.288 -10.945
  351   2HB   PHE  45          1HB       PHE  45   5.758  -8.753 -11.528
  352    HD1  PHE  45           1HD      PHE  45   5.993  -7.849 -13.812
  353    HD2  PHE  45           2HD      PHE  45   2.198  -8.898 -12.199
  354    HE1  PHE  45           1HE      PHE  45   4.886  -6.546 -15.581
  355    HE2  PHE  45           2HE      PHE  45   1.084  -7.597 -13.964
  356    HZ   PHE  45           HZ       PHE  45   2.427  -6.421 -15.660
  357    H    THR  46           H        THR  46   4.901 -13.161 -12.454
  358    HA   THR  46           HA       THR  46   3.116 -13.670 -10.336
  359    HB   THR  46           HB       THR  46   4.622 -16.001 -11.153
  360    HG1  THR  46           1HG      THR  46   3.968 -15.759 -13.429
  361   1HG2  THR  46          1HG2      THR  46   2.345 -16.123 -10.336
  362   2HG2  THR  46          2HG2      THR  46   2.391 -16.687 -12.007
  363   3HG2  THR  46          3HG2      THR  46   1.786 -15.071 -11.637
  364    H    VAL  47           H        VAL  47   6.526 -14.687 -10.705
  365    HA   VAL  47           HA       VAL  47   6.489 -15.449  -7.895
  366    HB   VAL  47           HB       VAL  47   7.217 -17.198  -9.346
  367   1HG1  VAL  47          1HG1      VAL  47   9.572 -15.614 -10.287
  368   2HG1  VAL  47          2HG1      VAL  47   8.874 -17.089 -10.959
  369   3HG1  VAL  47          3HG1      VAL  47   8.026 -15.553 -11.134
  370   1HG2  VAL  47          1HG2      VAL  47   9.780 -17.259  -8.543
  371   2HG2  VAL  47          2HG2      VAL  47   9.154 -16.017  -7.459
  372   3HG2  VAL  47          3HG2      VAL  47   8.415 -17.617  -7.485
  373    H    ASP  48           H        ASP  48   6.456 -13.145  -7.370
  374    HA   ASP  48           HA       ASP  48   7.455 -11.612  -6.033
  375   1HB   ASP  48          2HB       ASP  48   8.794 -13.484  -5.164
  376   2HB   ASP  48          1HB       ASP  48   9.988 -13.214  -6.429
  377    H    ASP  49           H        ASP  49  10.074 -12.366  -8.334
  378    HA   ASP  49           HA       ASP  49  11.021  -9.709  -8.101
  379   1HB   ASP  49          2HB       ASP  49  12.345 -11.885  -8.584
  380   2HB   ASP  49          1HB       ASP  49  11.965 -11.533 -10.271
  381    H    ASN  50           H        ASN  50  10.548  -7.997  -9.124
  382    HA   ASN  50           HA       ASN  50  10.380  -7.756 -11.919
  383   1HB   ASN  50          2HB       ASN  50   8.075  -8.657 -11.500
  384   2HB   ASN  50          1HB       ASN  50   7.761  -7.268 -10.466
  385   1HD2  ASN  50          1HD2      ASN  50   8.934  -8.020 -13.737
  386   2HD2  ASN  50          2HD2      ASN  50   8.086  -6.723 -14.512
  387    HA   PRO  51           HA       PRO  51  12.117  -3.878 -10.698
  388   1HB   PRO  51          2HB       PRO  51  10.773  -2.442 -12.773
  389   2HB   PRO  51          1HB       PRO  51  12.441  -3.009 -12.754
  390   1HG   PRO  51          2HG       PRO  51  10.049  -4.224 -13.993
  391   2HG   PRO  51          1HG       PRO  51  11.755  -4.373 -14.452
  392   1HD   PRO  51          2HD       PRO  51  10.437  -6.397 -13.284
  393   2HD   PRO  51          1HD       PRO  51  12.147  -6.074 -12.921
  394    H    THR  52           H        THR  52  11.162  -3.329  -8.794
  395    HA   THR  52           HA       THR  52   8.424  -2.570  -8.554
  396    HB   THR  52           HB       THR  52   9.770  -1.611  -6.309
  397    HG1  THR  52           1HG      THR  52  11.079  -3.623  -5.895
  398   1HG2  THR  52          1HG2      THR  52   9.021  -4.430  -6.154
  399   2HG2  THR  52          2HG2      THR  52   7.783  -3.419  -6.899
  400   3HG2  THR  52          3HG2      THR  52   8.375  -3.041  -5.282
  401    H    LYS  53           H        LYS  53   8.229  -0.865 -10.083
  402    HA   LYS  53           HA       LYS  53   9.444   1.671  -9.215
  403   1HB   LYS  53          2HB       LYS  53   9.335   0.434 -11.791
  404   2HB   LYS  53          1HB       LYS  53   8.396   1.920 -11.842
  405   1HG   LYS  53          2HG       LYS  53  10.510   2.917 -10.653
  406   2HG   LYS  53          1HG       LYS  53  11.309   1.526 -11.386
  407   1HD   LYS  53          2HD       LYS  53   9.602   3.469 -12.935
  408   2HD   LYS  53          1HD       LYS  53  11.349   3.640 -12.752
  409   1HE   LYS  53          2HE       LYS  53  11.490   2.400 -14.609
  410   2HE   LYS  53          1HE       LYS  53  11.088   1.037 -13.565
  411   1HZ   LYS  53          1HZ       LYS  53   9.108   0.814 -14.522
  412   2HZ   LYS  53          2HZ       LYS  53   9.680   1.847 -15.743
  413   3HZ   LYS  53          3HZ       LYS  53   8.773   2.478 -14.453
  414    HA   PRO  54           HA       PRO  54   5.095   2.577  -8.435
  415   1HB   PRO  54          2HB       PRO  54   6.008   4.711  -6.735
  416   2HB   PRO  54          1HB       PRO  54   5.266   3.181  -6.261
  417   1HG   PRO  54          2HG       PRO  54   7.882   3.874  -5.745
  418   2HG   PRO  54          1HG       PRO  54   7.277   2.210  -5.814
  419   1HD   PRO  54          2HD       PRO  54   8.759   3.781  -7.880
  420   2HD   PRO  54          1HD       PRO  54   8.897   2.061  -7.456
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -9.890  -2.291  10.396
    2   2H    GLY   1          2H        GLY   1  -8.229  -2.475  10.106
    3   3H    GLY   1          3H        GLY   1  -8.987  -3.397  11.308
    4   1HA   GLY   1          2HA       GLY   1  -8.472  -4.367   8.922
    5   2HA   GLY   1          1HA       GLY   1  -9.870  -4.869   9.863
    6    H    SER   2           H        SER   2  -9.791  -5.060   7.082
    7    HA   SER   2           HA       SER   2 -11.125  -2.781   5.932
    8   1HB   SER   2          2HB       SER   2 -10.923  -5.488   4.633
    9   2HB   SER   2          1HB       SER   2 -10.948  -3.900   3.871
   10    HG   SER   2           HG       SER   2  -8.848  -5.090   5.364
   11    H    ALA   3           H        ALA   3 -12.813  -3.035   7.742
   12    HA   ALA   3           HA       ALA   3 -14.848  -5.034   7.234
   13   1HB   ALA   3          1HB       ALA   3 -15.426  -2.755   9.033
   14   2HB   ALA   3          2HB       ALA   3 -15.709  -4.481   9.258
   15   3HB   ALA   3          3HB       ALA   3 -14.095  -3.818   9.498
   16    H    LYS   4           H        LYS   4 -14.871  -4.068   4.932
   17    HA   LYS   4           HA       LYS   4 -17.055  -2.094   4.814
   18   1HB   LYS   4          2HB       LYS   4 -14.905  -2.256   2.709
   19   2HB   LYS   4          1HB       LYS   4 -16.093  -0.983   2.957
   20   1HG   LYS   4          2HG       LYS   4 -14.770   0.113   4.375
   21   2HG   LYS   4          1HG       LYS   4 -14.359  -1.358   5.260
   22   1HD   LYS   4          2HD       LYS   4 -12.353  -1.372   4.311
   23   2HD   LYS   4          1HD       LYS   4 -13.105  -1.491   2.717
   24   1HE   LYS   4          2HE       LYS   4 -12.123   0.488   2.329
   25   2HE   LYS   4          1HE       LYS   4 -13.439   1.153   3.299
   26   1HZ   LYS   4          1HZ       LYS   4 -11.360   1.984   4.105
   27   2HZ   LYS   4          2HZ       LYS   4 -10.725   0.418   4.260
   28   3HZ   LYS   4          3HZ       LYS   4 -11.994   0.920   5.264
   29    H    ARG   5           H        ARG   5 -18.081  -4.335   4.891
   30    HA   ARG   5           HA       ARG   5 -19.330  -5.931   3.897
   31   1HB   ARG   5          2HB       ARG   5 -18.880  -4.070   1.704
   32   2HB   ARG   5          1HB       ARG   5 -19.034  -5.729   1.140
   33   1HG   ARG   5          2HG       ARG   5 -21.080  -5.381   3.016
   34   2HG   ARG   5          1HG       ARG   5 -21.061  -3.910   2.044
   35   1HD   ARG   5          2HD       ARG   5 -22.457  -5.249   0.804
   36   2HD   ARG   5          1HD       ARG   5 -20.900  -5.575   0.043
   37    HE   ARG   5           HE       ARG   5 -21.525  -7.397   2.177
   38   1HH1  ARG   5          2HH1      ARG   5 -22.066  -6.702  -1.209
   39   2HH1  ARG   5          1HH1      ARG   5 -22.347  -8.362  -1.634
   40   1HH2  ARG   5          2HH2      ARG   5 -21.925  -9.599   1.608
   41   2HH2  ARG   5          1HH2      ARG   5 -22.256  -9.996  -0.054
   42    H    LYS   6           H        LYS   6 -19.006  -8.031   3.386
   43    HA   LYS   6           HA       LYS   6 -16.264  -8.737   2.561
   44   1HB   LYS   6          2HB       LYS   6 -18.003  -9.937   4.710
   45   2HB   LYS   6          1HB       LYS   6 -16.653 -10.822   4.011
   46   1HG   LYS   6          2HG       LYS   6 -15.072  -9.345   4.875
   47   2HG   LYS   6          1HG       LYS   6 -16.277  -8.090   5.171
   48   1HD   LYS   6          2HD       LYS   6 -16.881 -10.551   6.582
   49   2HD   LYS   6          1HD       LYS   6 -15.298  -9.903   7.016
   50   1HE   LYS   6          2HE       LYS   6 -16.261  -7.799   7.632
   51   2HE   LYS   6          1HE       LYS   6 -17.833  -8.275   6.997
   52   1HZ   LYS   6          1HZ       LYS   6 -17.102  -8.489   9.568
   53   2HZ   LYS   6          2HZ       LYS   6 -16.752 -10.050   9.004
   54   3HZ   LYS   6          3HZ       LYS   6 -18.321  -9.419   8.841
   55    H    ARG   7           H        ARG   7 -16.061 -10.884   1.609
   56    HA   ARG   7           HA       ARG   7 -16.542 -12.440   0.044
   57   1HB   ARG   7          2HB       ARG   7 -18.541 -12.733   1.849
   58   2HB   ARG   7          1HB       ARG   7 -19.473 -12.349   0.408
   59   1HG   ARG   7          2HG       ARG   7 -18.431 -14.202  -0.782
   60   2HG   ARG   7          1HG       ARG   7 -17.458 -14.574   0.643
   61   1HD   ARG   7          2HD       ARG   7 -20.400 -14.428   0.992
   62   2HD   ARG   7          1HD       ARG   7 -19.754 -15.811   0.108
   63    HE   ARG   7           HE       ARG   7 -19.460 -15.240   2.935
   64   1HH1  ARG   7          2HH1      ARG   7 -18.282 -17.088   0.197
   65   2HH1  ARG   7          1HH1      ARG   7 -17.591 -18.343   1.182
   66   1HH2  ARG   7          2HH2      ARG   7 -18.532 -16.856   4.220
   67   2HH2  ARG   7          1HH2      ARG   7 -17.698 -18.192   3.482
   68    H    VAL   8           H        VAL   8 -16.175  -9.968  -0.895
   69    HA   VAL   8           HA       VAL   8 -18.268  -9.601  -2.937
   70    HB   VAL   8           HB       VAL   8 -16.765  -7.338  -3.146
   71   1HG1  VAL   8          1HG1      VAL   8 -19.193  -7.890  -1.457
   72   2HG1  VAL   8          2HG1      VAL   8 -18.593  -6.264  -1.784
   73   3HG1  VAL   8          3HG1      VAL   8 -19.135  -7.290  -3.114
   74   1HG2  VAL   8          1HG2      VAL   8 -15.353  -7.560  -1.309
   75   2HG2  VAL   8          2HG2      VAL   8 -16.655  -6.543  -0.693
   76   3HG2  VAL   8          3HG2      VAL   8 -16.615  -8.262  -0.297
   77    H    ALA   9           H        ALA   9 -16.666 -11.626  -3.408
   78    HA   ALA   9           HA       ALA   9 -15.447 -12.583  -5.055
   79   1HB   ALA   9          1HB       ALA   9 -16.322 -10.849  -6.579
   80   2HB   ALA   9          2HB       ALA   9 -14.954  -9.820  -6.153
   81   3HB   ALA   9          3HB       ALA   9 -14.679 -11.355  -6.980
   82    H    GLY  10           H        GLY  10 -13.250 -12.995  -5.623
   83   1HA   GLY  10          1HA       GLY  10 -11.156 -11.460  -4.326
   84   2HA   GLY  10          2HA       GLY  10 -11.442 -13.054  -3.634
   85    H    ASP  11           H        ASP  11 -10.749 -11.396  -6.676
   86    HA   ASP  11           HA       ASP  11 -10.068 -13.852  -8.017
   87   1HB   ASP  11          2HB       ASP  11 -10.769 -11.209  -8.771
   88   2HB   ASP  11          1HB       ASP  11  -9.186 -11.549  -9.463
   89    H    LEU  12           H        LEU  12  -8.421 -11.684  -6.037
   90    HA   LEU  12           HA       LEU  12  -5.834 -11.989  -7.288
   91   1HB   LEU  12          2HB       LEU  12  -6.563 -10.806  -4.611
   92   2HB   LEU  12          1HB       LEU  12  -5.012 -10.663  -5.413
   93    HG   LEU  12           HG       LEU  12  -7.531  -9.616  -6.672
   94   1HD1  LEU  12          1HD1      LEU  12  -6.053  -8.576  -4.369
   95   2HD1  LEU  12          2HD1      LEU  12  -6.269  -7.418  -5.682
   96   3HD1  LEU  12          3HD1      LEU  12  -7.674  -8.191  -4.956
   97   1HD2  LEU  12          1HD2      LEU  12  -5.683  -8.027  -7.591
   98   2HD2  LEU  12          2HD2      LEU  12  -4.589  -9.323  -7.108
   99   3HD2  LEU  12          3HD2      LEU  12  -5.876  -9.641  -8.275
  100    HA   PRO  13           HA       PRO  13  -4.301 -15.530  -5.053
  101   1HB   PRO  13          2HB       PRO  13  -1.912 -13.849  -4.469
  102   2HB   PRO  13          1HB       PRO  13  -2.011 -15.446  -5.218
  103   1HG   PRO  13          2HG       PRO  13  -1.516 -13.296  -6.697
  104   2HG   PRO  13          1HG       PRO  13  -2.577 -14.584  -7.298
  105   1HD   PRO  13          2HD       PRO  13  -3.288 -11.905  -6.176
  106   2HD   PRO  13          1HD       PRO  13  -4.015 -12.791  -7.535
  107    H    TYR  14           H        TYR  14  -3.363 -16.115  -2.910
  108    HA   TYR  14           HA       TYR  14  -5.072 -15.264  -0.898
  109   1HB   TYR  14          2HB       TYR  14  -4.297 -17.285  -0.298
  110   2HB   TYR  14          1HB       TYR  14  -2.789 -17.059  -1.171
  111    HD1  TYR  14           1HD      TYR  14  -4.506 -16.183   2.015
  112    HD2  TYR  14           2HD      TYR  14  -0.803 -16.713  -0.011
  113    HE1  TYR  14           1HE      TYR  14  -3.313 -15.949   4.147
  114    HE2  TYR  14           2HE      TYR  14   0.400 -16.481   2.115
  115    HH   TYR  14           HH       TYR  14   0.078 -16.649   4.449
  116    H    GLY  15           H        GLY  15  -1.785 -14.166  -1.595
  117   1HA   GLY  15          1HA       GLY  15  -1.549 -12.705   0.866
  118   2HA   GLY  15          2HA       GLY  15  -0.426 -12.670  -0.487
  119    H    TRP  16           H        TRP  16  -2.843 -12.000  -2.236
  120    HA   TRP  16           HA       TRP  16  -2.350  -9.161  -2.011
  121   1HB   TRP  16          2HB       TRP  16  -3.655 -10.838  -4.146
  122   2HB   TRP  16          1HB       TRP  16  -3.483  -9.086  -4.242
  123    HD1  TRP  16           HD       TRP  16  -1.433 -12.300  -4.383
  124    HE1  TRP  16           1HE      TRP  16   0.902 -11.785  -5.302
  125    HE3  TRP  16           3HE      TRP  16  -1.798  -7.222  -4.427
  126    HZ2  TRP  16           2HZ      TRP  16   2.395  -9.422  -5.971
  127    HZ3  TRP  16           3HZ      TRP  16   0.109  -5.903  -5.207
  128    HH2  TRP  16           HH       TRP  16   2.171  -6.980  -5.964
  129    H    GLU  17           H        GLU  17  -3.693  -7.691  -1.317
  130    HA   GLU  17           HA       GLU  17  -6.548  -8.372  -1.017
  131   1HB   GLU  17          2HB       GLU  17  -4.665  -6.695   0.589
  132   2HB   GLU  17          1HB       GLU  17  -6.345  -6.183   0.492
  133   1HG   GLU  17          2HG       GLU  17  -5.294  -8.789   1.560
  134   2HG   GLU  17          1HG       GLU  17  -6.058  -7.488   2.469
  135    H    GLN  18           H        GLN  18  -8.055  -7.036  -1.936
  136    HA   GLN  18           HA       GLN  18  -7.038  -5.118  -3.889
  137   1HB   GLN  18          2HB       GLN  18  -8.600  -6.761  -4.732
  138   2HB   GLN  18          1HB       GLN  18  -9.776  -6.341  -3.492
  139   1HG   GLN  18          2HG       GLN  18 -10.303  -4.313  -4.521
  140   2HG   GLN  18          1HG       GLN  18  -8.833  -4.320  -5.495
  141   1HE2  GLN  18          1HE2      GLN  18  -9.009  -4.991  -7.520
  142   2HE2  GLN  18          2HE2      GLN  18 -10.314  -5.921  -8.173
  143    H    GLU  19           H        GLU  19  -6.689  -3.157  -3.032
  144    HA   GLU  19           HA       GLU  19  -8.684  -2.080  -1.142
  145   1HB   GLU  19          2HB       GLU  19  -5.940  -0.929  -1.500
  146   2HB   GLU  19          1HB       GLU  19  -7.004  -0.824  -0.110
  147   1HG   GLU  19          2HG       GLU  19  -6.582  -3.478  -0.171
  148   2HG   GLU  19          1HG       GLU  19  -5.076  -2.893  -0.885
  149    H    THR  20           H        THR  20  -8.880   0.335  -1.225
  150    HA   THR  20           HA       THR  20  -8.559   1.366  -3.959
  151    HB   THR  20           HB       THR  20 -10.816   2.220  -2.155
  152    HG1  THR  20           1HG      THR  20 -10.530  -0.116  -3.627
  153   1HG2  THR  20          1HG2      THR  20 -11.193   3.644  -3.826
  154   2HG2  THR  20          2HG2      THR  20 -11.404   2.282  -4.931
  155   3HG2  THR  20          3HG2      THR  20  -9.806   2.998  -4.697
  156    H    ASP  21           H        ASP  21  -7.633   3.331  -4.125
  157    HA   ASP  21           HA       ASP  21  -6.412   4.393  -1.752
  158   1HB   ASP  21          2HB       ASP  21  -4.896   5.339  -3.144
  159   2HB   ASP  21          1HB       ASP  21  -5.575   4.228  -4.319
  160    H    GLU  22           H        GLU  22  -6.267   6.988  -2.013
  161    HA   GLU  22           HA       GLU  22  -8.736   7.876  -0.928
  162   1HB   GLU  22          2HB       GLU  22  -7.414  10.197  -1.370
  163   2HB   GLU  22          1HB       GLU  22  -7.140   9.157   0.021
  164   1HG   GLU  22          2HG       GLU  22  -5.342   8.025  -1.364
  165   2HG   GLU  22          1HG       GLU  22  -5.508   9.377  -2.484
  166    H    ASN  23           H        ASN  23  -7.272   8.110  -4.091
  167    HA   ASN  23           HA       ASN  23  -9.075  10.136  -5.069
  168   1HB   ASN  23          2HB       ASN  23  -7.116   8.298  -6.458
  169   2HB   ASN  23          1HB       ASN  23  -8.061   9.518  -7.298
  170   1HD2  ASN  23          1HD2      ASN  23  -5.506   8.934  -5.015
  171   2HD2  ASN  23          2HD2      ASN  23  -4.830  10.532  -5.065
  172    H    GLY  24           H        GLY  24  -9.050   6.717  -4.779
  173   1HA   GLY  24          1HA       GLY  24 -11.100   5.475  -4.928
  174   2HA   GLY  24          2HA       GLY  24 -11.638   6.579  -6.185
  175    H    GLN  25           H        GLN  25  -8.393   5.714  -6.465
  176    HA   GLN  25           HA       GLN  25  -8.922   4.003  -8.714
  177   1HB   GLN  25          2HB       GLN  25  -6.273   4.781  -7.480
  178   2HB   GLN  25          1HB       GLN  25  -6.509   4.029  -9.052
  179   1HG   GLN  25          2HG       GLN  25  -8.046   6.427  -8.938
  180   2HG   GLN  25          1HG       GLN  25  -6.397   6.773  -8.413
  181   1HE2  GLN  25          1HE2      GLN  25  -5.198   7.478 -10.016
  182   2HE2  GLN  25          2HE2      GLN  25  -5.263   6.927 -11.659
  183    H    VAL  26           H        VAL  26  -8.634   1.796  -8.731
  184    HA   VAL  26           HA       VAL  26  -8.297   0.559  -6.142
  185    HB   VAL  26           HB       VAL  26  -9.933  -0.187  -8.033
  186   1HG1  VAL  26          1HG1      VAL  26  -8.188  -2.324  -8.802
  187   2HG1  VAL  26          2HG1      VAL  26  -9.118  -1.224  -9.816
  188   3HG1  VAL  26          3HG1      VAL  26  -7.501  -0.772  -9.278
  189   1HG2  VAL  26          1HG2      VAL  26  -8.582  -2.505  -6.789
  190   2HG2  VAL  26          2HG2      VAL  26  -9.199  -1.244  -5.719
  191   3HG2  VAL  26          3HG2      VAL  26 -10.293  -2.072  -6.829
  192    H    PHE  27           H        PHE  27  -6.808  -1.064  -5.722
  193    HA   PHE  27           HA       PHE  27  -4.570  -1.507  -7.438
  194   1HB   PHE  27          2HB       PHE  27  -2.847  -0.549  -6.021
  195   2HB   PHE  27          1HB       PHE  27  -3.985   0.712  -6.479
  196    HD1  PHE  27           1HD      PHE  27  -2.599  -1.244  -3.762
  197    HD2  PHE  27           2HD      PHE  27  -5.546   1.632  -4.823
  198    HE1  PHE  27           1HE      PHE  27  -2.907  -0.706  -1.395
  199    HE2  PHE  27           2HE      PHE  27  -5.863   2.195  -2.451
  200    HZ   PHE  27           HZ       PHE  27  -4.566   1.008  -0.736
  201    H    PHE  28           H        PHE  28  -3.003  -2.972  -6.407
  202    HA   PHE  28           HA       PHE  28  -4.374  -4.685  -4.441
  203   1HB   PHE  28          2HB       PHE  28  -2.476  -5.691  -6.549
  204   2HB   PHE  28          1HB       PHE  28  -3.663  -6.601  -5.617
  205    HD1  PHE  28           1HD      PHE  28  -6.157  -5.729  -5.941
  206    HD2  PHE  28           2HD      PHE  28  -2.999  -5.189  -8.737
  207    HE1  PHE  28           1HE      PHE  28  -7.805  -5.443  -7.727
  208    HE2  PHE  28           2HE      PHE  28  -4.647  -4.888 -10.537
  209    HZ   PHE  28           HZ       PHE  28  -7.055  -5.020 -10.036
  210    H    VAL  29           H        VAL  29  -3.227  -5.355  -2.722
  211    HA   VAL  29           HA       VAL  29  -0.341  -4.824  -2.728
  212    HB   VAL  29           HB       VAL  29  -0.752  -3.098  -1.360
  213   1HG1  VAL  29          1HG1      VAL  29  -2.932  -2.607  -1.459
  214   2HG1  VAL  29          2HG1      VAL  29  -3.431  -4.278  -1.190
  215   3HG1  VAL  29          3HG1      VAL  29  -2.947  -3.270   0.176
  216   1HG2  VAL  29          1HG2      VAL  29  -1.419  -4.123   1.105
  217   2HG2  VAL  29          2HG2      VAL  29  -0.659  -5.493   0.296
  218   3HG2  VAL  29          3HG2      VAL  29   0.217  -3.970   0.458
  219    H    ASP  30           H        ASP  30   0.733  -6.586  -2.365
  220    HA   ASP  30           HA       ASP  30  -0.387  -8.902  -1.079
  221   1HB   ASP  30          2HB       ASP  30   1.280  -9.386  -2.699
  222   2HB   ASP  30          1HB       ASP  30   2.371  -8.158  -2.061
  223    H    HIS  31           H        HIS  31  -0.555  -9.159   1.048
  224    HA   HIS  31           HA       HIS  31   0.517  -7.027   2.707
  225   1HB   HIS  31          2HB       HIS  31  -1.646  -9.051   2.974
  226   2HB   HIS  31          1HB       HIS  31  -0.934  -8.405   4.452
  227    HD1  HIS  31           1HD      HIS  31  -1.151  -5.781   4.817
  228    HD2  HIS  31           2HD      HIS  31  -3.382  -7.346   1.666
  229    HE1  HIS  31           1HE      HIS  31  -2.745  -3.956   4.135
  230    HE2  HIS  31           2HE      HIS  31  -4.020  -4.874   2.171
  231    H    ILE  32           H        ILE  32   1.567 -10.038   1.796
  232    HA   ILE  32           HA       ILE  32   2.830 -10.700   4.323
  233    HB   ILE  32           HB       ILE  32   3.352 -11.953   1.630
  234   1HG1  ILE  32          1HG1      ILE  32   1.530 -13.260   3.570
  235   2HG1  ILE  32          2HG1      ILE  32   0.892 -11.823   2.735
  236   1HG2  ILE  32          1HG2      ILE  32   3.622 -13.107   4.402
  237   2HG2  ILE  32          2HG2      ILE  32   4.133 -13.845   2.882
  238   3HG2  ILE  32          3HG2      ILE  32   4.953 -12.404   3.486
  239   1HD1  ILE  32          1HD1      ILE  32   1.580 -14.501   1.666
  240   2HD1  ILE  32          2HD1      ILE  32   0.241 -13.425   1.268
  241   3HD1  ILE  32          3HD1      ILE  32   1.850 -13.106   0.622
  242    H    ASN  33           H        ASN  33   3.763  -9.507   1.121
  243    HA   ASN  33           HA       ASN  33   6.467  -8.960   2.136
  244   1HB   ASN  33          2HB       ASN  33   5.336  -9.064  -0.660
  245   2HB   ASN  33          1HB       ASN  33   6.945  -8.463  -0.307
  246   1HD2  ASN  33          1HD2      ASN  33   4.954 -11.205  -0.643
  247   2HD2  ASN  33          2HD2      ASN  33   6.202 -12.388  -0.424
  248    H    LYS  34           H        LYS  34   3.558  -7.444   1.792
  249    HA   LYS  34           HA       LYS  34   2.832  -5.307   1.893
  250   1HB   LYS  34          2HB       LYS  34   5.648  -4.869   2.893
  251   2HB   LYS  34          1HB       LYS  34   4.413  -3.617   2.888
  252   1HG   LYS  34          2HG       LYS  34   3.946  -4.324   4.951
  253   2HG   LYS  34          1HG       LYS  34   3.143  -5.681   4.159
  254   1HD   LYS  34          2HD       LYS  34   4.533  -6.940   5.406
  255   2HD   LYS  34          1HD       LYS  34   5.721  -6.530   4.168
  256   1HE   LYS  34          2HE       LYS  34   5.337  -4.697   6.493
  257   2HE   LYS  34          1HE       LYS  34   6.271  -6.176   6.706
  258   1HZ   LYS  34          1HZ       LYS  34   6.833  -3.919   4.870
  259   2HZ   LYS  34          2HZ       LYS  34   7.599  -5.421   4.719
  260   3HZ   LYS  34          3HZ       LYS  34   7.798  -4.502   6.134
  261    H    ARG  35           H        ARG  35   3.073  -5.863  -0.586
  262    HA   ARG  35           HA       ARG  35   4.570  -3.633  -1.791
  263   1HB   ARG  35          2HB       ARG  35   4.209  -5.384  -3.877
  264   2HB   ARG  35          1HB       ARG  35   5.691  -5.185  -2.958
  265   1HG   ARG  35          2HG       ARG  35   5.043  -7.032  -1.500
  266   2HG   ARG  35          1HG       ARG  35   3.542  -7.220  -2.406
  267   1HD   ARG  35          2HD       ARG  35   4.956  -7.580  -4.460
  268   2HD   ARG  35          1HD       ARG  35   6.353  -7.660  -3.389
  269    HE   ARG  35           HE       ARG  35   4.366  -9.468  -2.497
  270   1HH1  ARG  35          2HH1      ARG  35   6.732  -9.048  -5.061
  271   2HH1  ARG  35          1HH1      ARG  35   6.901 -10.755  -5.348
  272   1HH2  ARG  35          2HH2      ARG  35   4.583 -11.704  -2.902
  273   2HH2  ARG  35          1HH2      ARG  35   5.670 -12.264  -4.138
  274    H    THR  36           H        THR  36   3.342  -2.156  -2.671
  275    HA   THR  36           HA       THR  36   0.532  -2.761  -3.276
  276    HB   THR  36           HB       THR  36   0.834  -0.040  -3.530
  277    HG1  THR  36           1HG      THR  36   2.208  -0.541  -1.136
  278   1HG2  THR  36          1HG2      THR  36   0.008  -1.813  -1.262
  279   2HG2  THR  36          2HG2      THR  36  -0.991  -0.826  -2.329
  280   3HG2  THR  36          3HG2      THR  36  -0.010  -0.057  -1.081
  281    H    THR  37           H        THR  37   0.021  -3.065  -5.378
  282    HA   THR  37           HA       THR  37   1.445  -1.434  -7.380
  283    HB   THR  37           HB       THR  37   2.247  -3.617  -7.828
  284    HG1  THR  37           1HG      THR  37   0.250  -3.937  -9.656
  285   1HG2  THR  37          1HG2      THR  37  -0.276  -5.016  -8.221
  286   2HG2  THR  37          2HG2      THR  37  -0.005  -4.524  -6.548
  287   3HG2  THR  37          3HG2      THR  37   1.183  -5.533  -7.376
  288    H    TYR  38           H        TYR  38   0.191  -0.372  -8.841
  289    HA   TYR  38           HA       TYR  38  -2.689  -0.476  -8.427
  290   1HB   TYR  38          2HB       TYR  38  -0.845   1.395  -9.895
  291   2HB   TYR  38          1HB       TYR  38  -2.585   1.452 -10.166
  292    HD1  TYR  38           1HD      TYR  38  -3.955   2.686  -8.717
  293    HD2  TYR  38           2HD      TYR  38  -0.032   1.629  -7.460
  294    HE1  TYR  38           1HE      TYR  38  -4.227   4.085  -6.710
  295    HE2  TYR  38           2HE      TYR  38  -0.289   3.020  -5.453
  296    HH   TYR  38           HH       TYR  38  -2.721   5.299  -5.086
  297    H    LEU  39           H        LEU  39  -0.474  -2.057 -10.274
  298    HA   LEU  39           HA       LEU  39  -2.383  -2.528 -12.462
  299   1HB   LEU  39          2HB       LEU  39   0.419  -2.190 -12.437
  300   2HB   LEU  39          1HB       LEU  39   0.128  -3.880 -12.813
  301    HG   LEU  39           HG       LEU  39   0.334  -2.532 -14.837
  302   1HD1  LEU  39          1HD1      LEU  39  -1.260  -4.526 -14.619
  303   2HD1  LEU  39          2HD1      LEU  39  -2.543  -3.316 -14.640
  304   3HD1  LEU  39          3HD1      LEU  39  -1.443  -3.457 -16.010
  305   1HD2  LEU  39          1HD2      LEU  39  -0.609  -0.446 -13.754
  306   2HD2  LEU  39          2HD2      LEU  39  -1.132  -0.779 -15.405
  307   3HD2  LEU  39          3HD2      LEU  39  -2.204  -1.136 -14.050
  308    H    ASP  40           H        ASP  40  -2.664  -4.750 -13.149
  309    HA   ASP  40           HA       ASP  40  -3.252  -6.382 -10.855
  310   1HB   ASP  40          2HB       ASP  40  -4.642  -6.050 -13.048
  311   2HB   ASP  40          1HB       ASP  40  -3.606  -7.323 -13.685
  312    HA   PRO  41           HA       PRO  41   0.537  -8.733 -11.305
  313   1HB   PRO  41          2HB       PRO  41  -0.104 -10.128  -8.895
  314   2HB   PRO  41          1HB       PRO  41   1.043  -8.810  -9.107
  315   1HG   PRO  41          2HG       PRO  41  -1.311  -8.653  -7.662
  316   2HG   PRO  41          1HG       PRO  41  -0.415  -7.265  -8.300
  317   1HD   PRO  41          2HD       PRO  41  -2.846  -8.620  -9.381
  318   2HD   PRO  41          1HD       PRO  41  -2.413  -6.896  -9.384
  319    H    ARG  42           H        ARG  42  -1.387  -9.626 -12.969
  320    HA   ARG  42           HA       ARG  42  -1.669 -12.483 -12.304
  321   1HB   ARG  42          2HB       ARG  42  -3.707 -10.692 -12.744
  322   2HB   ARG  42          1HB       ARG  42  -3.520 -11.448 -14.319
  323   1HG   ARG  42          2HG       ARG  42  -4.940 -12.963 -13.483
  324   2HG   ARG  42          1HG       ARG  42  -3.488 -13.630 -12.732
  325   1HD   ARG  42          2HD       ARG  42  -5.399 -13.355 -11.162
  326   2HD   ARG  42          1HD       ARG  42  -3.945 -12.476 -10.681
  327    HE   ARG  42           HE       ARG  42  -4.995 -10.435 -11.354
  328   1HH1  ARG  42          2HH1      ARG  42  -7.112 -13.234 -11.395
  329   2HH1  ARG  42          1HH1      ARG  42  -8.573 -12.294 -11.372
  330   1HH2  ARG  42          2HH2      ARG  42  -6.887  -9.195 -11.321
  331   2HH2  ARG  42          1HH2      ARG  42  -8.445  -9.978 -11.348
  332    H    LEU  43           H        LEU  43  -1.237 -10.156 -14.964
  333    HA   LEU  43           HA       LEU  43  -1.012 -11.971 -17.048
  334   1HB   LEU  43          2HB       LEU  43   0.524  -9.398 -16.899
  335   2HB   LEU  43          1HB       LEU  43  -0.111 -10.193 -18.320
  336    HG   LEU  43           HG       LEU  43  -1.586  -8.471 -18.091
  337   1HD1  LEU  43          1HD1      LEU  43  -3.540  -9.494 -16.510
  338   2HD1  LEU  43          2HD1      LEU  43  -3.268  -9.917 -18.200
  339   3HD1  LEU  43          3HD1      LEU  43  -2.603 -10.931 -16.920
  340   1HD2  LEU  43          1HD2      LEU  43  -2.395  -8.302 -15.407
  341   2HD2  LEU  43          2HD2      LEU  43  -0.632  -8.382 -15.425
  342   3HD2  LEU  43          3HD2      LEU  43  -1.466  -7.135 -16.351
  343    H    ALA  44           H        ALA  44   1.813 -10.146 -15.899
  344    HA   ALA  44           HA       ALA  44   3.467 -12.469 -16.594
  345   1HB   ALA  44          1HB       ALA  44   3.804  -9.573 -16.779
  346   2HB   ALA  44          2HB       ALA  44   5.219 -10.424 -16.160
  347   3HB   ALA  44          3HB       ALA  44   4.543 -10.862 -17.728
  348    H    PHE  45           H        PHE  45   1.982 -11.672 -13.975
  349    HA   PHE  45           HA       PHE  45   4.309 -11.958 -12.203
  350   1HB   PHE  45          2HB       PHE  45   1.696 -10.619 -11.497
  351   2HB   PHE  45          1HB       PHE  45   3.157 -10.679 -10.515
  352    HD1  PHE  45           1HD      PHE  45   5.199  -9.452 -11.312
  353    HD2  PHE  45           2HD      PHE  45   1.373  -8.935 -13.099
  354    HE1  PHE  45           1HE      PHE  45   5.954  -7.340 -12.319
  355    HE2  PHE  45           2HE      PHE  45   2.123  -6.821 -14.108
  356    HZ   PHE  45           HZ       PHE  45   4.419  -6.023 -13.718
  357    H    THR  46           H        THR  46   4.352 -13.615 -10.891
  358    HA   THR  46           HA       THR  46   1.905 -15.188 -10.462
  359    HB   THR  46           HB       THR  46   3.651 -16.881  -9.542
  360    HG1  THR  46           1HG      THR  46   5.568 -16.047 -11.269
  361   1HG2  THR  46          1HG2      THR  46   2.500 -16.522 -12.033
  362   2HG2  THR  46          2HG2      THR  46   3.321 -17.977 -11.466
  363   3HG2  THR  46          3HG2      THR  46   4.210 -16.768 -12.391
  364    H    VAL  47           H        VAL  47   3.864 -16.246  -8.139
  365    HA   VAL  47           HA       VAL  47   3.231 -14.117  -6.236
  366    HB   VAL  47           HB       VAL  47   3.034 -16.729  -5.813
  367   1HG1  VAL  47          1HG1      VAL  47   4.990 -17.795  -5.829
  368   2HG1  VAL  47          2HG1      VAL  47   5.898 -16.285  -5.825
  369   3HG1  VAL  47          3HG1      VAL  47   5.339 -16.979  -4.304
  370   1HG2  VAL  47          1HG2      VAL  47   3.983 -14.653  -3.862
  371   2HG2  VAL  47          2HG2      VAL  47   2.335 -15.193  -4.171
  372   3HG2  VAL  47          3HG2      VAL  47   3.478 -16.267  -3.368
  373    H    ASP  48           H        ASP  48   5.563 -14.987  -8.385
  374    HA   ASP  48           HA       ASP  48   7.776 -13.780  -6.872
  375   1HB   ASP  48          2HB       ASP  48   8.279 -16.024  -7.613
  376   2HB   ASP  48          1HB       ASP  48   7.762 -15.651  -9.253
  377    H    ASP  49           H        ASP  49   9.152 -12.285  -7.992
  378    HA   ASP  49           HA       ASP  49   7.535 -10.469  -9.599
  379   1HB   ASP  49          2HB       ASP  49   9.134  -9.985  -7.499
  380   2HB   ASP  49          1HB       ASP  49  10.304  -9.750  -8.795
  381    H    ASN  50           H        ASN  50   8.787  -9.173 -11.292
  382    HA   ASN  50           HA       ASN  50  10.185 -11.080 -13.043
  383   1HB   ASN  50          2HB       ASN  50   8.307 -10.185 -14.173
  384   2HB   ASN  50          1HB       ASN  50   8.629  -8.558 -13.587
  385   1HD2  ASN  50          1HD2      ASN  50   9.997 -11.109 -15.624
  386   2HD2  ASN  50          2HD2      ASN  50  10.758 -10.034 -16.761
  387    HA   PRO  51           HA       PRO  51  13.880  -8.753 -12.087
  388   1HB   PRO  51          2HB       PRO  51  15.596 -10.196 -13.564
  389   2HB   PRO  51          1HB       PRO  51  14.896 -10.825 -12.066
  390   1HG   PRO  51          2HG       PRO  51  14.095 -11.361 -14.907
  391   2HG   PRO  51          1HG       PRO  51  14.264 -12.499 -13.557
  392   1HD   PRO  51          2HD       PRO  51  11.866 -11.486 -14.379
  393   2HD   PRO  51          1HD       PRO  51  12.195 -11.993 -12.710
  394    H    THR  52           H        THR  52  12.172  -7.558 -13.949
  395    HA   THR  52           HA       THR  52  12.071  -6.114 -15.689
  396    HB   THR  52           HB       THR  52  15.021  -5.714 -15.709
  397    HG1  THR  52           1HG      THR  52  14.906  -4.627 -13.695
  398   1HG2  THR  52          1HG2      THR  52  12.974  -3.599 -15.232
  399   2HG2  THR  52          2HG2      THR  52  13.085  -4.326 -16.838
  400   3HG2  THR  52          3HG2      THR  52  14.486  -3.519 -16.133
  401    H    LYS  53           H        LYS  53  15.257  -6.515 -16.840
  402    HA   LYS  53           HA       LYS  53  14.876  -8.683 -18.623
  403   1HB   LYS  53          2HB       LYS  53  14.828  -7.342 -20.732
  404   2HB   LYS  53          1HB       LYS  53  13.357  -7.202 -19.784
  405   1HG   LYS  53          2HG       LYS  53  14.611  -5.080 -18.821
  406   2HG   LYS  53          1HG       LYS  53  15.425  -5.170 -20.385
  407   1HD   LYS  53          2HD       LYS  53  13.660  -3.926 -21.060
  408   2HD   LYS  53          1HD       LYS  53  12.871  -5.501 -21.170
  409   1HE   LYS  53          2HE       LYS  53  12.624  -4.668 -18.496
  410   2HE   LYS  53          1HE       LYS  53  12.240  -3.264 -19.487
  411   1HZ   LYS  53          1HZ       LYS  53  10.693  -5.595 -19.005
  412   2HZ   LYS  53          2HZ       LYS  53  10.942  -5.388 -20.669
  413   3HZ   LYS  53          3HZ       LYS  53  10.241  -4.144 -19.754
  414    HA   PRO  54           HA       PRO  54  19.302  -8.308 -19.024
  415   1HB   PRO  54          2HB       PRO  54  18.978  -8.299 -21.984
  416   2HB   PRO  54          1HB       PRO  54  19.980  -9.340 -20.965
  417   1HG   PRO  54          2HG       PRO  54  17.737 -10.276 -22.042
  418   2HG   PRO  54          1HG       PRO  54  18.194 -10.710 -20.383
  419   1HD   PRO  54          2HD       PRO  54  16.150  -8.745 -21.336
  420   2HD   PRO  54          1HD       PRO  54  16.085  -9.866 -19.958
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -19.365   4.217 -13.001
    2   2H    GLY   1          2H        GLY   1 -20.091   4.118 -11.472
    3   3H    GLY   1          3H        GLY   1 -21.026   4.503 -12.832
    4   1HA   GLY   1          2HA       GLY   1 -20.713   2.016 -11.763
    5   2HA   GLY   1          1HA       GLY   1 -21.361   2.390 -13.352
    6    H    SER   2           H        SER   2 -19.824   0.061 -12.473
    7    HA   SER   2           HA       SER   2 -17.211   0.325 -13.652
    8   1HB   SER   2          2HB       SER   2 -18.166  -2.405 -13.297
    9   2HB   SER   2          1HB       SER   2 -16.795  -1.592 -12.543
   10    HG   SER   2           HG       SER   2 -18.292  -0.635 -11.065
   11    H    ALA   3           H        ALA   3 -17.110   0.611 -15.793
   12    HA   ALA   3           HA       ALA   3 -19.093  -0.498 -17.561
   13   1HB   ALA   3          1HB       ALA   3 -16.571   1.056 -18.128
   14   2HB   ALA   3          2HB       ALA   3 -17.763   0.588 -19.342
   15   3HB   ALA   3          3HB       ALA   3 -18.216   1.691 -18.045
   16    H    LYS   4           H        LYS   4 -18.314  -2.656 -16.503
   17    HA   LYS   4           HA       LYS   4 -16.757  -4.006 -18.567
   18   1HB   LYS   4          2HB       LYS   4 -15.881  -3.603 -15.808
   19   2HB   LYS   4          1HB       LYS   4 -15.947  -5.304 -16.248
   20   1HG   LYS   4          2HG       LYS   4 -14.090  -5.150 -17.450
   21   2HG   LYS   4          1HG       LYS   4 -14.686  -3.734 -18.320
   22   1HD   LYS   4          2HD       LYS   4 -13.822  -2.249 -16.734
   23   2HD   LYS   4          1HD       LYS   4 -13.650  -3.512 -15.511
   24   1HE   LYS   4          2HE       LYS   4 -12.138  -3.973 -17.984
   25   2HE   LYS   4          1HE       LYS   4 -11.631  -2.557 -17.061
   26   1HZ   LYS   4          1HZ       LYS   4 -11.002  -5.216 -16.572
   27   2HZ   LYS   4          2HZ       LYS   4 -12.020  -4.734 -15.308
   28   3HZ   LYS   4          3HZ       LYS   4 -10.596  -3.866 -15.629
   29    H    ARG   5           H        ARG   5 -17.879  -5.719 -19.220
   30    HA   ARG   5           HA       ARG   5 -20.363  -6.412 -18.099
   31   1HB   ARG   5          2HB       ARG   5 -19.381  -6.789 -20.497
   32   2HB   ARG   5          1HB       ARG   5 -18.824  -8.316 -19.830
   33   1HG   ARG   5          2HG       ARG   5 -21.190  -8.790 -19.167
   34   2HG   ARG   5          1HG       ARG   5 -21.662  -7.354 -20.076
   35   1HD   ARG   5          2HD       ARG   5 -19.938  -9.006 -21.670
   36   2HD   ARG   5          1HD       ARG   5 -21.280  -9.965 -21.045
   37    HE   ARG   5           HE       ARG   5 -22.798  -8.466 -22.134
   38   1HH1  ARG   5          2HH1      ARG   5 -19.421  -7.999 -22.959
   39   2HH1  ARG   5          1HH1      ARG   5 -19.769  -7.196 -24.466
   40   1HH2  ARG   5          2HH2      ARG   5 -23.258  -7.384 -24.101
   41   2HH2  ARG   5          1HH2      ARG   5 -21.949  -6.813 -25.096
   42    H    LYS   6           H        LYS   6 -20.882  -7.686 -16.473
   43    HA   LYS   6           HA       LYS   6 -20.855  -9.317 -14.892
   44   1HB   LYS   6          2HB       LYS   6 -18.560 -10.302 -16.558
   45   2HB   LYS   6          1HB       LYS   6 -18.940 -11.056 -15.019
   46   1HG   LYS   6          2HG       LYS   6 -21.309 -11.328 -15.951
   47   2HG   LYS   6          1HG       LYS   6 -20.586 -10.960 -17.519
   48   1HD   LYS   6          2HD       LYS   6 -19.549 -13.128 -15.707
   49   2HD   LYS   6          1HD       LYS   6 -20.777 -13.411 -16.940
   50   1HE   LYS   6          2HE       LYS   6 -19.303 -13.212 -18.651
   51   2HE   LYS   6          1HE       LYS   6 -18.339 -11.991 -17.818
   52   1HZ   LYS   6          1HZ       LYS   6 -18.023 -14.331 -16.375
   53   2HZ   LYS   6          2HZ       LYS   6 -16.885 -13.584 -17.387
   54   3HZ   LYS   6          3HZ       LYS   6 -17.910 -14.783 -18.004
   55    H    ARG   7           H        ARG   7 -18.027  -7.441 -15.539
   56    HA   ARG   7           HA       ARG   7 -16.447  -6.466 -14.250
   57   1HB   ARG   7          2HB       ARG   7 -18.716  -6.077 -12.878
   58   2HB   ARG   7          1HB       ARG   7 -17.851  -7.053 -11.698
   59   1HG   ARG   7          2HG       ARG   7 -15.910  -5.346 -12.232
   60   2HG   ARG   7          1HG       ARG   7 -17.269  -4.320 -12.696
   61   1HD   ARG   7          2HD       ARG   7 -16.553  -4.057 -10.322
   62   2HD   ARG   7          1HD       ARG   7 -18.244  -4.510 -10.523
   63    HE   ARG   7           HE       ARG   7 -16.204  -6.546  -9.922
   64   1HH1  ARG   7          2HH1      ARG   7 -19.180  -4.871  -9.117
   65   2HH1  ARG   7          1HH1      ARG   7 -19.569  -5.947  -7.800
   66   1HH2  ARG   7          2HH2      ARG   7 -16.739  -7.987  -8.227
   67   2HH2  ARG   7          1HH2      ARG   7 -18.222  -7.750  -7.345
   68    H    VAL   8           H        VAL   8 -16.494  -9.400 -14.706
   69    HA   VAL   8           HA       VAL   8 -15.277 -10.550 -12.351
   70    HB   VAL   8           HB       VAL   8 -15.605 -11.688 -15.137
   71   1HG1  VAL   8          1HG1      VAL   8 -13.722 -12.577 -13.554
   72   2HG1  VAL   8          2HG1      VAL   8 -15.067 -13.357 -12.720
   73   3HG1  VAL   8          3HG1      VAL   8 -14.762 -13.707 -14.420
   74   1HG2  VAL   8          1HG2      VAL   8 -17.435 -11.358 -12.974
   75   2HG2  VAL   8          2HG2      VAL   8 -17.710 -12.073 -14.561
   76   3HG2  VAL   8          3HG2      VAL   8 -17.143 -13.077 -13.228
   77    H    ALA   9           H        ALA   9 -13.389  -9.528 -11.930
   78    HA   ALA   9           HA       ALA   9 -11.364  -9.349 -14.024
   79   1HB   ALA   9          1HB       ALA   9 -11.359  -8.353 -11.176
   80   2HB   ALA   9          2HB       ALA   9 -10.064  -8.092 -12.346
   81   3HB   ALA   9          3HB       ALA   9 -11.659  -7.392 -12.625
   82    H    GLY  10           H        GLY  10 -12.258 -11.272 -11.323
   83   1HA   GLY  10          1HA       GLY  10 -11.359 -13.448 -10.962
   84   2HA   GLY  10          2HA       GLY  10  -9.854 -12.908 -11.697
   85    H    ASP  11           H        ASP  11 -11.377 -13.605  -8.830
   86    HA   ASP  11           HA       ASP  11 -10.524 -11.722  -7.017
   87   1HB   ASP  11          2HB       ASP  11 -10.916 -13.323  -5.311
   88   2HB   ASP  11          1HB       ASP  11 -12.090 -13.637  -6.583
   89    H    LEU  12           H        LEU  12  -8.859 -11.563  -5.653
   90    HA   LEU  12           HA       LEU  12  -6.328 -12.042  -6.914
   91   1HB   LEU  12          2HB       LEU  12  -7.008 -10.735  -4.282
   92   2HB   LEU  12          1HB       LEU  12  -5.428 -10.709  -5.042
   93    HG   LEU  12           HG       LEU  12  -7.872  -9.591  -6.396
   94   1HD1  LEU  12          1HD1      LEU  12  -7.480  -7.484  -5.495
   95   2HD1  LEU  12          2HD1      LEU  12  -7.335  -8.567  -4.109
   96   3HD1  LEU  12          3HD1      LEU  12  -5.886  -7.936  -4.890
   97   1HD2  LEU  12          1HD2      LEU  12  -6.027  -8.206  -7.490
   98   2HD2  LEU  12          2HD2      LEU  12  -4.907  -9.397  -6.821
   99   3HD2  LEU  12          3HD2      LEU  12  -6.158  -9.904  -7.958
  100    HA   PRO  13           HA       PRO  13  -4.732 -15.556  -4.732
  101   1HB   PRO  13          2HB       PRO  13  -2.267 -13.976  -4.270
  102   2HB   PRO  13          1HB       PRO  13  -2.474 -15.529  -5.087
  103   1HG   PRO  13          2HG       PRO  13  -1.992 -13.314  -6.483
  104   2HG   PRO  13          1HG       PRO  13  -3.126 -14.539  -7.081
  105   1HD   PRO  13          2HD       PRO  13  -3.697 -11.915  -5.759
  106   2HD   PRO  13          1HD       PRO  13  -4.508 -12.677  -7.140
  107    H    TYR  14           H        TYR  14  -3.056 -15.843  -2.710
  108    HA   TYR  14           HA       TYR  14  -4.702 -15.557  -0.542
  109   1HB   TYR  14          2HB       TYR  14  -2.269 -16.021   0.539
  110   2HB   TYR  14          1HB       TYR  14  -3.320 -17.264  -0.107
  111    HD1  TYR  14           1HD      TYR  14  -0.228 -15.453  -0.445
  112    HD2  TYR  14           2HD      TYR  14  -2.920 -18.068  -2.434
  113    HE1  TYR  14           1HE      TYR  14   1.508 -15.983  -2.077
  114    HE2  TYR  14           2HE      TYR  14  -1.201 -18.600  -4.075
  115    HH   TYR  14           HH       TYR  14   1.419 -18.572  -4.106
  116    H    GLY  15           H        GLY  15  -1.654 -13.889  -1.230
  117   1HA   GLY  15          1HA       GLY  15  -1.783 -12.351   1.188
  118   2HA   GLY  15          2HA       GLY  15  -0.572 -12.230  -0.083
  119    H    TRP  16           H        TRP  16  -3.071 -11.931  -1.917
  120    HA   TRP  16           HA       TRP  16  -2.677  -9.078  -1.990
  121   1HB   TRP  16          2HB       TRP  16  -4.003 -11.008  -3.884
  122   2HB   TRP  16          1HB       TRP  16  -3.885  -9.270  -4.176
  123    HD1  TRP  16           HD       TRP  16  -1.759 -12.435  -4.066
  124    HE1  TRP  16           1HE      TRP  16   0.529 -11.961  -5.105
  125    HE3  TRP  16           3HE      TRP  16  -2.231  -7.392  -4.533
  126    HZ2  TRP  16           2HZ      TRP  16   1.960  -9.639  -6.006
  127    HZ3  TRP  16           3HZ      TRP  16  -0.370  -6.105  -5.465
  128    HH2  TRP  16           HH       TRP  16   1.690  -7.207  -6.192
  129    H    GLU  17           H        GLU  17  -4.031  -7.559  -1.538
  130    HA   GLU  17           HA       GLU  17  -6.842  -8.223  -0.949
  131   1HB   GLU  17          2HB       GLU  17  -4.849  -6.500   0.461
  132   2HB   GLU  17          1HB       GLU  17  -6.529  -5.976   0.448
  133   1HG   GLU  17          2HG       GLU  17  -7.005  -8.404   1.247
  134   2HG   GLU  17          1HG       GLU  17  -5.304  -8.371   1.717
  135    H    GLN  18           H        GLN  18  -8.367  -7.023  -2.016
  136    HA   GLN  18           HA       GLN  18  -7.426  -5.086  -3.959
  137   1HB   GLN  18          2HB       GLN  18  -9.127  -6.538  -4.780
  138   2HB   GLN  18          1HB       GLN  18 -10.147  -6.256  -3.376
  139   1HG   GLN  18          2HG       GLN  18 -10.770  -4.139  -4.103
  140   2HG   GLN  18          1HG       GLN  18  -9.415  -4.023  -5.223
  141   1HE2  GLN  18          1HE2      GLN  18 -11.980  -3.443  -5.988
  142   2HE2  GLN  18          2HE2      GLN  18 -12.526  -4.631  -7.126
  143    H    GLU  19           H        GLU  19  -7.019  -3.111  -3.298
  144    HA   GLU  19           HA       GLU  19  -8.744  -1.940  -1.212
  145   1HB   GLU  19          2HB       GLU  19  -5.961  -0.979  -1.710
  146   2HB   GLU  19          1HB       GLU  19  -6.915  -0.894  -0.242
  147   1HG   GLU  19          2HG       GLU  19  -6.375  -3.624  -1.033
  148   2HG   GLU  19          1HG       GLU  19  -4.903  -2.682  -0.799
  149    H    THR  20           H        THR  20  -8.812   0.454  -1.291
  150    HA   THR  20           HA       THR  20  -8.373   1.518  -3.999
  151    HB   THR  20           HB       THR  20 -10.692   2.257  -2.201
  152    HG1  THR  20           1HG      THR  20 -10.349   0.230  -3.991
  153   1HG2  THR  20          1HG2      THR  20  -9.485   3.692  -4.248
  154   2HG2  THR  20          2HG2      THR  20 -11.108   3.952  -3.604
  155   3HG2  THR  20          3HG2      THR  20 -10.876   2.930  -5.021
  156    H    ASP  21           H        ASP  21  -7.369   3.452  -4.102
  157    HA   ASP  21           HA       ASP  21  -6.093   4.342  -1.692
  158   1HB   ASP  21          2HB       ASP  21  -4.545   5.338  -3.031
  159   2HB   ASP  21          1HB       ASP  21  -5.207   4.226  -4.218
  160    H    GLU  22           H        GLU  22  -5.795   6.911  -1.809
  161    HA   GLU  22           HA       GLU  22  -8.185   7.857  -0.618
  162   1HB   GLU  22          2HB       GLU  22  -6.692  10.123  -1.023
  163   2HB   GLU  22          1HB       GLU  22  -6.555   9.050   0.364
  164   1HG   GLU  22          2HG       GLU  22  -4.713   7.893  -0.632
  165   2HG   GLU  22          1HG       GLU  22  -4.934   8.762  -2.151
  166    H    ASN  23           H        ASN  23  -6.788   8.230  -3.800
  167    HA   ASN  23           HA       ASN  23  -8.509  10.372  -4.633
  168   1HB   ASN  23          2HB       ASN  23  -6.741   8.439  -6.144
  169   2HB   ASN  23          1HB       ASN  23  -7.689   9.689  -6.941
  170   1HD2  ASN  23          1HD2      ASN  23  -4.946   8.995  -4.965
  171   2HD2  ASN  23          2HD2      ASN  23  -4.246  10.582  -5.033
  172    H    GLY  24           H        GLY  24  -8.462   6.869  -4.976
  173   1HA   GLY  24          1HA       GLY  24 -10.752   5.848  -4.848
  174   2HA   GLY  24          2HA       GLY  24 -11.193   6.988  -6.112
  175    H    GLN  25           H        GLN  25  -8.035   5.858  -6.394
  176    HA   GLN  25           HA       GLN  25  -8.699   4.198  -8.650
  177   1HB   GLN  25          2HB       GLN  25  -6.487   5.774  -7.875
  178   2HB   GLN  25          1HB       GLN  25  -5.919   4.109  -7.919
  179   1HG   GLN  25          2HG       GLN  25  -7.473   5.251 -10.201
  180   2HG   GLN  25          1HG       GLN  25  -5.745   5.562 -10.039
  181   1HE2  GLN  25          1HE2      GLN  25  -4.415   4.141 -10.918
  182   2HE2  GLN  25          2HE2      GLN  25  -4.823   2.519 -11.379
  183    H    VAL  26           H        VAL  26  -8.875   2.023  -8.550
  184    HA   VAL  26           HA       VAL  26  -8.440   0.740  -6.014
  185    HB   VAL  26           HB       VAL  26 -10.269   0.205  -7.835
  186   1HG1  VAL  26          1HG1      VAL  26  -7.884  -1.207  -8.821
  187   2HG1  VAL  26          2HG1      VAL  26  -9.375  -2.148  -8.761
  188   3HG1  VAL  26          3HG1      VAL  26  -9.313  -0.649  -9.692
  189   1HG2  VAL  26          1HG2      VAL  26  -9.588  -0.864  -5.503
  190   2HG2  VAL  26          2HG2      VAL  26 -10.859  -1.535  -6.525
  191   3HG2  VAL  26          3HG2      VAL  26  -9.239  -2.240  -6.547
  192    H    PHE  27           H        PHE  27  -7.108  -1.028  -5.665
  193    HA   PHE  27           HA       PHE  27  -5.036  -1.718  -7.504
  194   1HB   PHE  27          2HB       PHE  27  -3.138  -0.830  -6.287
  195   2HB   PHE  27          1HB       PHE  27  -4.216   0.494  -6.707
  196    HD1  PHE  27           1HD      PHE  27  -2.707  -1.417  -4.031
  197    HD2  PHE  27           2HD      PHE  27  -5.578   1.591  -4.947
  198    HE1  PHE  27           1HE      PHE  27  -2.752  -0.744  -1.670
  199    HE2  PHE  27           2HE      PHE  27  -5.629   2.259  -2.591
  200    HZ   PHE  27           HZ       PHE  27  -4.229   1.095  -0.950
  201    H    PHE  28           H        PHE  28  -3.535  -3.259  -6.608
  202    HA   PHE  28           HA       PHE  28  -4.754  -4.777  -4.398
  203   1HB   PHE  28          2HB       PHE  28  -3.009  -5.984  -6.531
  204   2HB   PHE  28          1HB       PHE  28  -4.180  -6.781  -5.490
  205    HD1  PHE  28           1HD      PHE  28  -6.578  -5.172  -5.834
  206    HD2  PHE  28           2HD      PHE  28  -3.666  -6.353  -8.702
  207    HE1  PHE  28           1HE      PHE  28  -8.260  -5.000  -7.607
  208    HE2  PHE  28           2HE      PHE  28  -5.348  -6.181 -10.478
  209    HZ   PHE  28           HZ       PHE  28  -7.651  -5.502  -9.939
  210    H    VAL  29           H        VAL  29  -3.476  -5.312  -2.708
  211    HA   VAL  29           HA       VAL  29  -0.595  -4.855  -3.029
  212    HB   VAL  29           HB       VAL  29  -0.760  -3.171  -1.594
  213   1HG1  VAL  29          1HG1      VAL  29  -3.476  -4.226  -0.885
  214   2HG1  VAL  29          2HG1      VAL  29  -2.769  -2.796  -0.127
  215   3HG1  VAL  29          3HG1      VAL  29  -3.059  -2.818  -1.867
  216   1HG2  VAL  29          1HG2      VAL  29   0.208  -4.135   0.183
  217   2HG2  VAL  29          2HG2      VAL  29  -1.408  -4.128   0.895
  218   3HG2  VAL  29          3HG2      VAL  29  -0.817  -5.569   0.068
  219    H    ASP  30           H        ASP  30   0.646  -6.441  -2.551
  220    HA   ASP  30           HA       ASP  30  -0.345  -8.894  -1.423
  221   1HB   ASP  30          2HB       ASP  30   1.287  -9.206  -3.089
  222   2HB   ASP  30          1HB       ASP  30   2.298  -7.909  -2.474
  223    H    HIS  31           H        HIS  31  -0.695  -9.032   0.684
  224    HA   HIS  31           HA       HIS  31   0.590  -7.155   2.480
  225   1HB   HIS  31          2HB       HIS  31  -1.709  -9.058   2.698
  226   2HB   HIS  31          1HB       HIS  31  -0.958  -8.431   4.163
  227    HD1  HIS  31           1HD      HIS  31  -1.121  -5.830   4.564
  228    HD2  HIS  31           2HD      HIS  31  -3.326  -7.248   1.329
  229    HE1  HIS  31           1HE      HIS  31  -2.666  -3.955   3.914
  230    HE2  HIS  31           2HE      HIS  31  -4.087  -4.868   2.049
  231    H    ILE  32           H        ILE  32   1.685  -9.883   1.244
  232    HA   ILE  32           HA       ILE  32   2.788 -10.955   3.731
  233    HB   ILE  32           HB       ILE  32   3.567 -11.931   1.009
  234   1HG1  ILE  32          1HG1      ILE  32   0.885 -11.784   1.927
  235   2HG1  ILE  32          2HG1      ILE  32   1.510 -12.597   0.473
  236   1HG2  ILE  32          1HG2      ILE  32   3.462 -14.122   2.407
  237   2HG2  ILE  32          2HG2      ILE  32   4.813 -13.009   2.609
  238   3HG2  ILE  32          3HG2      ILE  32   3.499 -13.022   3.784
  239   1HD1  ILE  32          1HD1      ILE  32   1.863 -14.185   2.886
  240   2HD1  ILE  32          2HD1      ILE  32   0.176 -13.789   2.565
  241   3HD1  ILE  32          3HD1      ILE  32   1.138 -14.614   1.337
  242    H    ASN  33           H        ASN  33   3.941  -9.666   0.621
  243    HA   ASN  33           HA       ASN  33   6.545  -9.127   1.876
  244   1HB   ASN  33          2HB       ASN  33   5.835  -9.116  -1.066
  245   2HB   ASN  33          1HB       ASN  33   7.447  -8.981  -0.378
  246   1HD2  ASN  33          1HD2      ASN  33   4.988 -11.062  -1.399
  247   2HD2  ASN  33          2HD2      ASN  33   5.776 -12.544  -0.978
  248    H    LYS  34           H        LYS  34   3.726  -7.571   1.257
  249    HA   LYS  34           HA       LYS  34   3.057  -5.418   1.426
  250   1HB   LYS  34          2HB       LYS  34   5.902  -4.724   2.150
  251   2HB   LYS  34          1HB       LYS  34   4.447  -3.821   2.548
  252   1HG   LYS  34          2HG       LYS  34   4.833  -6.616   3.544
  253   2HG   LYS  34          1HG       LYS  34   5.568  -5.244   4.371
  254   1HD   LYS  34          2HD       LYS  34   3.583  -4.463   5.130
  255   2HD   LYS  34          1HD       LYS  34   2.705  -4.995   3.695
  256   1HE   LYS  34          2HE       LYS  34   1.904  -6.646   4.962
  257   2HE   LYS  34          1HE       LYS  34   3.515  -7.357   4.861
  258   1HZ   LYS  34          1HZ       LYS  34   3.869  -6.966   7.004
  259   2HZ   LYS  34          2HZ       LYS  34   2.218  -6.603   7.143
  260   3HZ   LYS  34          3HZ       LYS  34   3.348  -5.358   6.897
  261    H    ARG  35           H        ARG  35   3.154  -5.948  -1.062
  262    HA   ARG  35           HA       ARG  35   4.550  -3.669  -2.297
  263   1HB   ARG  35          2HB       ARG  35   4.292  -5.213  -4.442
  264   2HB   ARG  35          1HB       ARG  35   5.683  -5.336  -3.373
  265   1HG   ARG  35          2HG       ARG  35   4.076  -7.090  -2.171
  266   2HG   ARG  35          1HG       ARG  35   3.450  -7.214  -3.816
  267   1HD   ARG  35          2HD       ARG  35   6.394  -7.281  -3.431
  268   2HD   ARG  35          1HD       ARG  35   5.469  -8.702  -2.955
  269    HE   ARG  35           HE       ARG  35   5.853  -7.674  -5.646
  270   1HH1  ARG  35          2HH1      ARG  35   4.219  -9.956  -3.542
  271   2HH1  ARG  35          1HH1      ARG  35   3.733 -10.992  -4.847
  272   1HH2  ARG  35          2HH2      ARG  35   5.197  -9.016  -7.369
  273   2HH2  ARG  35          1HH2      ARG  35   4.291 -10.464  -7.029
  274    H    THR  36           H        THR  36   3.352  -2.326  -3.545
  275    HA   THR  36           HA       THR  36   0.460  -2.894  -3.743
  276    HB   THR  36           HB       THR  36   0.655  -0.263  -4.343
  277    HG1  THR  36           1HG      THR  36   2.576  -0.543  -2.274
  278   1HG2  THR  36          1HG2      THR  36   0.700  -0.555  -1.474
  279   2HG2  THR  36          2HG2      THR  36  -0.268  -1.823  -2.225
  280   3HG2  THR  36          3HG2      THR  36  -0.642  -0.127  -2.537
  281    H    THR  37           H        THR  37  -0.288  -3.392  -5.740
  282    HA   THR  37           HA       THR  37   0.947  -2.007  -8.026
  283    HB   THR  37           HB       THR  37   1.598  -4.334  -8.212
  284    HG1  THR  37           1HG      THR  37  -0.203  -4.645 -10.139
  285   1HG2  THR  37          1HG2      THR  37  -0.891  -5.614  -8.732
  286   2HG2  THR  37          2HG2      THR  37  -0.970  -4.858  -7.141
  287   3HG2  THR  37          3HG2      THR  37   0.315  -6.009  -7.510
  288    H    TYR  38           H        TYR  38  -0.414  -1.004  -9.404
  289    HA   TYR  38           HA       TYR  38  -3.214  -0.870  -8.618
  290   1HB   TYR  38          2HB       TYR  38  -1.502   0.742 -10.506
  291   2HB   TYR  38          1HB       TYR  38  -3.251   0.934 -10.445
  292    HD1  TYR  38           1HD      TYR  38  -4.283   2.197  -8.717
  293    HD2  TYR  38           2HD      TYR  38  -0.143   1.255  -8.463
  294    HE1  TYR  38           1HE      TYR  38  -4.049   3.765  -6.839
  295    HE2  TYR  38           2HE      TYR  38   0.104   2.821  -6.583
  296    HH   TYR  38           HH       TYR  38  -0.957   4.116  -5.119
  297    H    LEU  39           H        LEU  39  -1.448  -2.810 -10.554
  298    HA   LEU  39           HA       LEU  39  -3.719  -3.299 -12.362
  299   1HB   LEU  39          2HB       LEU  39  -1.104  -2.623 -13.085
  300   2HB   LEU  39          1HB       LEU  39  -1.202  -4.353 -13.344
  301    HG   LEU  39           HG       LEU  39  -1.744  -2.828 -15.318
  302   1HD1  LEU  39          1HD1      LEU  39  -2.902  -4.518 -16.246
  303   2HD1  LEU  39          2HD1      LEU  39  -2.517  -5.336 -14.730
  304   3HD1  LEU  39          3HD1      LEU  39  -4.088  -4.566 -14.943
  305   1HD2  LEU  39          1HD2      LEU  39  -3.275  -1.420 -13.743
  306   2HD2  LEU  39          2HD2      LEU  39  -3.726  -1.669 -15.431
  307   3HD2  LEU  39          3HD2      LEU  39  -4.485  -2.633 -14.162
  308    H    ASP  40           H        ASP  40  -3.754  -5.592 -13.158
  309    HA   ASP  40           HA       ASP  40  -3.901  -7.349 -10.959
  310   1HB   ASP  40          2HB       ASP  40  -5.382  -7.581 -12.865
  311   2HB   ASP  40          1HB       ASP  40  -4.016  -7.885 -13.932
  312    HA   PRO  41           HA       PRO  41   0.341  -8.517 -10.892
  313   1HB   PRO  41          2HB       PRO  41  -0.171 -10.457  -8.852
  314   2HB   PRO  41          1HB       PRO  41   0.440  -8.813  -8.668
  315   1HG   PRO  41          2HG       PRO  41  -2.021  -9.670  -7.778
  316   2HG   PRO  41          1HG       PRO  41  -1.613  -7.982  -8.136
  317   1HD   PRO  41          2HD       PRO  41  -3.085  -9.977  -9.817
  318   2HD   PRO  41          1HD       PRO  41  -3.400  -8.245  -9.575
  319    H    ARG  42           H        ARG  42  -1.923 -10.552 -12.243
  320    HA   ARG  42           HA       ARG  42  -0.401 -13.009 -12.052
  321   1HB   ARG  42          2HB       ARG  42  -2.727 -12.328 -13.853
  322   2HB   ARG  42          1HB       ARG  42  -2.054 -13.933 -13.610
  323   1HG   ARG  42          2HG       ARG  42  -3.030 -14.184 -11.578
  324   2HG   ARG  42          1HG       ARG  42  -2.981 -12.457 -11.219
  325   1HD   ARG  42          2HD       ARG  42  -4.930 -12.027 -12.309
  326   2HD   ARG  42          1HD       ARG  42  -4.702 -13.340 -13.464
  327    HE   ARG  42           HE       ARG  42  -5.372 -14.877 -11.676
  328   1HH1  ARG  42          2HH1      ARG  42  -6.158 -11.466 -11.328
  329   2HH1  ARG  42          1HH1      ARG  42  -7.473 -11.763 -10.221
  330   1HH2  ARG  42          2HH2      ARG  42  -7.080 -15.264 -10.253
  331   2HH2  ARG  42          1HH2      ARG  42  -7.983 -13.939  -9.584
  332    H    LEU  43           H        LEU  43  -0.144 -10.227 -13.904
  333    HA   LEU  43           HA       LEU  43   0.785 -11.547 -16.302
  334   1HB   LEU  43          2HB       LEU  43   0.908  -8.605 -15.672
  335   2HB   LEU  43          1HB       LEU  43   0.992  -9.362 -17.251
  336    HG   LEU  43           HG       LEU  43  -1.471  -9.834 -15.660
  337   1HD1  LEU  43          1HD1      LEU  43  -0.503  -7.235 -15.941
  338   2HD1  LEU  43          2HD1      LEU  43  -1.729  -7.414 -17.198
  339   3HD1  LEU  43          3HD1      LEU  43  -2.142  -7.726 -15.511
  340   1HD2  LEU  43          1HD2      LEU  43  -0.567 -10.000 -18.394
  341   2HD2  LEU  43          2HD2      LEU  43  -2.005 -10.688 -17.643
  342   3HD2  LEU  43          3HD2      LEU  43  -2.043  -9.039 -18.270
  343    H    ALA  44           H        ALA  44   2.431  -8.782 -14.845
  344    HA   ALA  44           HA       ALA  44   4.938 -10.265 -15.209
  345   1HB   ALA  44          1HB       ALA  44   5.804  -7.765 -15.045
  346   2HB   ALA  44          2HB       ALA  44   5.207  -8.457 -16.551
  347   3HB   ALA  44          3HB       ALA  44   4.155  -7.435 -15.573
  348    H    PHE  45           H        PHE  45   2.985  -9.834 -12.793
  349    HA   PHE  45           HA       PHE  45   5.019  -8.906 -10.874
  350   1HB   PHE  45          2HB       PHE  45   2.044  -8.916 -10.382
  351   2HB   PHE  45          1HB       PHE  45   3.290  -8.064  -9.477
  352    HD1  PHE  45           1HD      PHE  45   4.238  -5.991 -10.313
  353    HD2  PHE  45           2HD      PHE  45   1.221  -8.058 -12.496
  354    HE1  PHE  45           1HE      PHE  45   3.868  -3.993 -11.700
  355    HE2  PHE  45           2HE      PHE  45   0.852  -6.064 -13.881
  356    HZ   PHE  45           HZ       PHE  45   2.174  -4.027 -13.485
  357    H    THR  46           H        THR  46   4.375 -11.644 -11.995
  358    HA   THR  46           HA       THR  46   3.879 -13.012  -9.441
  359    HB   THR  46           HB       THR  46   4.004 -14.646 -11.891
  360    HG1  THR  46           1HG      THR  46   2.053 -12.612 -11.498
  361   1HG2  THR  46          1HG2      THR  46   1.563 -14.822 -10.396
  362   2HG2  THR  46          2HG2      THR  46   2.930 -14.791  -9.279
  363   3HG2  THR  46          3HG2      THR  46   2.857 -16.015 -10.547
  364    H    VAL  47           H        VAL  47   6.002 -13.039 -12.286
  365    HA   VAL  47           HA       VAL  47   8.062 -14.327 -10.625
  366    HB   VAL  47           HB       VAL  47   7.515 -15.879 -12.339
  367   1HG1  VAL  47          1HG1      VAL  47   7.017 -15.438 -14.523
  368   2HG1  VAL  47          2HG1      VAL  47   6.471 -13.937 -13.773
  369   3HG1  VAL  47          3HG1      VAL  47   8.037 -14.001 -14.585
  370   1HG2  VAL  47          1HG2      VAL  47   9.627 -16.337 -12.894
  371   2HG2  VAL  47          2HG2      VAL  47   9.783 -14.860 -13.842
  372   3HG2  VAL  47          3HG2      VAL  47  10.048 -14.820 -12.101
  373    H    ASP  48           H        ASP  48   9.823 -13.197 -10.258
  374    HA   ASP  48           HA       ASP  48  11.521 -11.712 -10.407
  375   1HB   ASP  48          2HB       ASP  48  11.412 -12.349 -12.914
  376   2HB   ASP  48          1HB       ASP  48  10.639 -10.782 -13.121
  377    H    ASP  49           H        ASP  49   8.439 -10.508 -11.626
  378    HA   ASP  49           HA       ASP  49   7.150  -8.757 -10.991
  379   1HB   ASP  49          2HB       ASP  49   8.068  -9.495  -8.670
  380   2HB   ASP  49          1HB       ASP  49   9.070  -8.047  -8.787
  381    H    ASN  50           H        ASN  50   7.768  -6.213 -10.047
  382    HA   ASN  50           HA       ASN  50   9.875  -5.121 -11.697
  383   1HB   ASN  50          2HB       ASN  50   7.546  -5.462 -13.012
  384   2HB   ASN  50          1HB       ASN  50   7.251  -3.879 -12.297
  385   1HD2  ASN  50          1HD2      ASN  50   7.726  -4.773 -15.099
  386   2HD2  ASN  50          2HD2      ASN  50   9.029  -3.783 -15.664
  387    HA   PRO  51           HA       PRO  51   7.878  -1.681  -8.800
  388   1HB   PRO  51          2HB       PRO  51   6.051  -3.448  -7.251
  389   2HB   PRO  51          1HB       PRO  51   5.832  -1.767  -7.751
  390   1HG   PRO  51          2HG       PRO  51   4.508  -3.714  -8.975
  391   2HG   PRO  51          1HG       PRO  51   5.174  -2.352  -9.895
  392   1HD   PRO  51          2HD       PRO  51   6.216  -5.142  -9.619
  393   2HD   PRO  51          1HD       PRO  51   6.157  -4.099 -11.056
  394    H    THR  52           H        THR  52   8.011  -5.060  -7.755
  395    HA   THR  52           HA       THR  52   9.736  -4.289  -5.506
  396    HB   THR  52           HB       THR  52   9.103  -7.122  -5.684
  397    HG1  THR  52           1HG      THR  52   7.192  -6.239  -6.699
  398   1HG2  THR  52          1HG2      THR  52   9.158  -4.950  -3.702
  399   2HG2  THR  52          2HG2      THR  52   9.637  -6.642  -3.545
  400   3HG2  THR  52          3HG2      THR  52   7.936  -6.189  -3.406
  401    H    LYS  53           H        LYS  53  10.916  -4.005  -7.933
  402    HA   LYS  53           HA       LYS  53  12.424  -6.299  -8.706
  403   1HB   LYS  53          2HB       LYS  53  11.870  -4.174 -10.087
  404   2HB   LYS  53          1HB       LYS  53  13.280  -3.485  -9.291
  405   1HG   LYS  53          2HG       LYS  53  14.287  -5.844 -10.156
  406   2HG   LYS  53          1HG       LYS  53  13.108  -5.495 -11.422
  407   1HD   LYS  53          2HD       LYS  53  14.500  -4.015 -12.321
  408   2HD   LYS  53          1HD       LYS  53  14.513  -3.094 -10.815
  409   1HE   LYS  53          2HE       LYS  53  16.163  -5.190 -10.225
  410   2HE   LYS  53          1HE       LYS  53  16.514  -4.921 -11.930
  411   1HZ   LYS  53          1HZ       LYS  53  17.019  -2.627 -11.462
  412   2HZ   LYS  53          2HZ       LYS  53  17.949  -3.616 -10.450
  413   3HZ   LYS  53          3HZ       LYS  53  16.585  -2.816  -9.833
  414    HA   PRO  54           HA       PRO  54  15.962  -3.981  -6.145
  415   1HB   PRO  54          2HB       PRO  54  14.855  -2.878  -3.846
  416   2HB   PRO  54          1HB       PRO  54  15.423  -1.963  -5.245
  417   1HG   PRO  54          2HG       PRO  54  12.646  -2.816  -4.532
  418   2HG   PRO  54          1HG       PRO  54  13.207  -1.288  -5.242
  419   1HD   PRO  54          2HD       PRO  54  12.037  -3.150  -6.751
  420   2HD   PRO  54          1HD       PRO  54  13.417  -2.211  -7.365
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  12.137 -20.309  -0.577
    2   2H    GLY   1          2H        GLY   1  11.400 -19.053  -1.448
    3   3H    GLY   1          3H        GLY   1  12.375 -20.181  -2.252
    4   1HA   GLY   1          2HA       GLY   1  10.647 -21.863  -1.234
    5   2HA   GLY   1          1HA       GLY   1   9.624 -20.433  -1.301
    6    H    SER   2           H        SER   2  10.414 -23.126  -2.936
    7    HA   SER   2           HA       SER   2  10.855 -22.202  -5.573
    8   1HB   SER   2          2HB       SER   2   9.502 -24.781  -5.386
    9   2HB   SER   2          1HB       SER   2  11.104 -24.392  -6.015
   10    HG   SER   2           HG       SER   2  11.955 -24.557  -3.989
   11    H    ALA   3           H        ALA   3   7.908 -23.037  -3.787
   12    HA   ALA   3           HA       ALA   3   6.317 -21.686  -5.806
   13   1HB   ALA   3          1HB       ALA   3   5.721 -23.527  -6.902
   14   2HB   ALA   3          2HB       ALA   3   6.540 -24.562  -5.729
   15   3HB   ALA   3          3HB       ALA   3   4.878 -24.045  -5.442
   16    H    LYS   4           H        LYS   4   5.949 -20.274  -4.016
   17    HA   LYS   4           HA       LYS   4   4.513 -21.276  -1.710
   18   1HB   LYS   4          2HB       LYS   4   5.987 -18.919  -2.368
   19   2HB   LYS   4          1HB       LYS   4   4.368 -18.439  -1.872
   20   1HG   LYS   4          2HG       LYS   4   4.672 -19.111   0.268
   21   2HG   LYS   4          1HG       LYS   4   5.735 -20.442  -0.186
   22   1HD   LYS   4          2HD       LYS   4   7.561 -18.893  -0.577
   23   2HD   LYS   4          1HD       LYS   4   6.501 -17.524  -0.235
   24   1HE   LYS   4          2HE       LYS   4   7.140 -19.712   1.739
   25   2HE   LYS   4          1HE       LYS   4   7.987 -18.169   1.661
   26   1HZ   LYS   4          1HZ       LYS   4   6.380 -17.214   2.833
   27   2HZ   LYS   4          2HZ       LYS   4   5.661 -18.733   3.043
   28   3HZ   LYS   4          3HZ       LYS   4   5.187 -17.744   1.752
   29    H    ARG   5           H        ARG   5   3.229 -21.836  -4.124
   30    HA   ARG   5           HA       ARG   5   0.816 -20.166  -3.950
   31   1HB   ARG   5          2HB       ARG   5   0.607 -20.817  -6.491
   32   2HB   ARG   5          1HB       ARG   5   1.602 -19.449  -6.012
   33   1HG   ARG   5          2HG       ARG   5   3.501 -20.436  -6.700
   34   2HG   ARG   5          1HG       ARG   5   3.012 -22.024  -6.103
   35   1HD   ARG   5          2HD       ARG   5   1.501 -22.243  -8.044
   36   2HD   ARG   5          1HD       ARG   5   2.091 -20.698  -8.656
   37    HE   ARG   5           HE       ARG   5   4.324 -22.297  -8.259
   38   1HH1  ARG   5          2HH1      ARG   5   1.440 -22.357 -10.265
   39   2HH1  ARG   5          1HH1      ARG   5   2.207 -23.252 -11.548
   40   1HH2  ARG   5          2HH2      ARG   5   5.304 -23.496  -9.933
   41   2HH2  ARG   5          1HH2      ARG   5   4.399 -23.872 -11.368
   42    H    LYS   6           H        LYS   6  -0.439 -21.816  -6.039
   43    HA   LYS   6           HA       LYS   6  -1.622 -23.713  -6.345
   44   1HB   LYS   6          2HB       LYS   6   0.883 -24.618  -5.249
   45   2HB   LYS   6          1HB       LYS   6  -0.431 -25.653  -4.707
   46   1HG   LYS   6          2HG       LYS   6  -0.574 -26.632  -6.688
   47   2HG   LYS   6          1HG       LYS   6  -0.669 -25.079  -7.521
   48   1HD   LYS   6          2HD       LYS   6   1.306 -25.760  -8.394
   49   2HD   LYS   6          1HD       LYS   6   1.943 -25.102  -6.886
   50   1HE   LYS   6          2HE       LYS   6   2.905 -27.257  -7.179
   51   2HE   LYS   6          1HE       LYS   6   1.705 -27.382  -5.890
   52   1HZ   LYS   6          1HZ       LYS   6   1.315 -28.200  -8.721
   53   2HZ   LYS   6          2HZ       LYS   6   0.137 -28.297  -7.498
   54   3HZ   LYS   6          3HZ       LYS   6   1.543 -29.243  -7.401
   55    H    ARG   7           H        ARG   7  -2.692 -22.010  -4.578
   56    HA   ARG   7           HA       ARG   7  -3.984 -23.891  -2.712
   57   1HB   ARG   7          2HB       ARG   7  -2.711 -21.527  -2.017
   58   2HB   ARG   7          1HB       ARG   7  -4.405 -21.061  -2.109
   59   1HG   ARG   7          2HG       ARG   7  -4.997 -22.336  -0.325
   60   2HG   ARG   7          1HG       ARG   7  -3.747 -23.544  -0.631
   61   1HD   ARG   7          2HD       ARG   7  -3.625 -21.018   0.913
   62   2HD   ARG   7          1HD       ARG   7  -2.856 -22.572   1.223
   63    HE   ARG   7           HE       ARG   7  -1.766 -20.342  -0.230
   64   1HH1  ARG   7          2HH1      ARG   7  -1.588 -23.811   0.273
   65   2HH1  ARG   7          1HH1      ARG   7   0.013 -23.943  -0.385
   66   1HH2  ARG   7          2HH2      ARG   7   0.336 -20.518  -1.053
   67   2HH2  ARG   7          1HH2      ARG   7   1.101 -22.069  -1.159
   68    H    VAL   8           H        VAL   8  -5.142 -20.678  -3.291
   69    HA   VAL   8           HA       VAL   8  -6.940 -21.460  -5.426
   70    HB   VAL   8           HB       VAL   8  -8.783 -20.204  -3.869
   71   1HG1  VAL   8          1HG1      VAL   8  -8.226 -23.144  -4.171
   72   2HG1  VAL   8          2HG1      VAL   8  -9.700 -22.510  -3.436
   73   3HG1  VAL   8          3HG1      VAL   8  -9.323 -22.136  -5.117
   74   1HG2  VAL   8          1HG2      VAL   8  -8.421 -20.362  -1.684
   75   2HG2  VAL   8          2HG2      VAL   8  -8.128 -22.095  -1.815
   76   3HG2  VAL   8          3HG2      VAL   8  -6.799 -20.958  -2.031
   77    H    ALA   9           H        ALA   9  -7.182 -19.788  -6.787
   78    HA   ALA   9           HA       ALA   9  -6.985 -17.061  -5.738
   79   1HB   ALA   9          1HB       ALA   9  -5.080 -18.348  -7.603
   80   2HB   ALA   9          2HB       ALA   9  -5.566 -16.694  -7.974
   81   3HB   ALA   9          3HB       ALA   9  -4.822 -17.065  -6.419
   82    H    GLY  10           H        GLY  10  -9.342 -17.462  -6.169
   83   1HA   GLY  10          1HA       GLY  10 -10.286 -17.568  -8.859
   84   2HA   GLY  10          2HA       GLY  10 -11.220 -17.066  -7.455
   85    H    ASP  11           H        ASP  11  -9.936 -14.928  -6.531
   86    HA   ASP  11           HA       ASP  11  -9.853 -13.045  -8.784
   87   1HB   ASP  11          2HB       ASP  11  -9.999 -11.329  -6.810
   88   2HB   ASP  11          1HB       ASP  11 -11.452 -12.164  -7.340
   89    H    LEU  12           H        LEU  12  -8.493 -12.352  -5.645
   90    HA   LEU  12           HA       LEU  12  -5.809 -12.379  -6.829
   91   1HB   LEU  12          2HB       LEU  12  -6.655 -11.169  -4.196
   92   2HB   LEU  12          1HB       LEU  12  -5.149 -10.926  -5.045
   93    HG   LEU  12           HG       LEU  12  -7.768 -10.050  -6.213
   94   1HD1  LEU  12          1HD1      LEU  12  -7.294  -7.824  -5.319
   95   2HD1  LEU  12          2HD1      LEU  12  -7.534  -8.998  -4.025
   96   3HD1  LEU  12          3HD1      LEU  12  -5.903  -8.471  -4.449
   97   1HD2  LEU  12          1HD2      LEU  12  -6.164  -8.423  -7.331
   98   2HD2  LEU  12          2HD2      LEU  12  -4.865  -9.459  -6.721
   99   3HD2  LEU  12          3HD2      LEU  12  -6.067 -10.113  -7.834
  100    HA   PRO  13           HA       PRO  13  -4.468 -15.754  -4.178
  101   1HB   PRO  13          2HB       PRO  13  -2.086 -14.048  -3.664
  102   2HB   PRO  13          1HB       PRO  13  -2.170 -15.714  -4.241
  103   1HG   PRO  13          2HG       PRO  13  -1.551 -13.740  -5.914
  104   2HG   PRO  13          1HG       PRO  13  -2.605 -15.070  -6.436
  105   1HD   PRO  13          2HD       PRO  13  -3.341 -12.278  -5.620
  106   2HD   PRO  13          1HD       PRO  13  -3.991 -13.278  -6.937
  107    H    TYR  14           H        TYR  14  -3.818 -16.093  -1.905
  108    HA   TYR  14           HA       TYR  14  -5.599 -14.809  -0.205
  109   1HB   TYR  14          2HB       TYR  14  -5.100 -16.866   0.605
  110   2HB   TYR  14          1HB       TYR  14  -3.435 -16.798   0.044
  111    HD1  TYR  14           1HD      TYR  14  -5.716 -15.840   2.770
  112    HD2  TYR  14           2HD      TYR  14  -1.675 -16.104   1.485
  113    HE1  TYR  14           1HE      TYR  14  -4.964 -15.444   5.074
  114    HE2  TYR  14           2HE      TYR  14  -0.906 -15.713   3.782
  115    HH   TYR  14           HH       TYR  14  -2.087 -14.454   5.943
  116    H    GLY  15           H        GLY  15  -2.153 -14.199  -0.686
  117   1HA   GLY  15          1HA       GLY  15  -1.836 -12.471   1.549
  118   2HA   GLY  15          2HA       GLY  15  -0.740 -12.609   0.180
  119    H    TRP  16           H        TRP  16  -3.128 -11.957  -1.606
  120    HA   TRP  16           HA       TRP  16  -2.536  -9.129  -1.623
  121   1HB   TRP  16          2HB       TRP  16  -4.017 -10.910  -3.547
  122   2HB   TRP  16          1HB       TRP  16  -3.799  -9.177  -3.790
  123    HD1  TRP  16           HD       TRP  16  -1.826 -12.450  -3.719
  124    HE1  TRP  16           1HE      TRP  16   0.435 -12.102  -4.869
  125    HE3  TRP  16           3HE      TRP  16  -2.131  -7.412  -4.359
  126    HZ2  TRP  16           2HZ      TRP  16   1.903  -9.873  -5.923
  127    HZ3  TRP  16           3HZ      TRP  16  -0.265  -6.237  -5.428
  128    HH2  TRP  16           HH       TRP  16   1.716  -7.445  -6.198
  129    H    GLU  17           H        GLU  17  -3.766  -7.591  -0.891
  130    HA   GLU  17           HA       GLU  17  -6.644  -8.088  -0.519
  131   1HB   GLU  17          2HB       GLU  17  -4.633  -6.634   1.035
  132   2HB   GLU  17          1HB       GLU  17  -6.074  -5.678   0.711
  133   1HG   GLU  17          2HG       GLU  17  -7.407  -6.988   1.989
  134   2HG   GLU  17          1HG       GLU  17  -6.475  -8.445   1.669
  135    H    GLN  18           H        GLN  18  -8.106  -6.774  -1.544
  136    HA   GLN  18           HA       GLN  18  -6.991  -4.984  -3.574
  137   1HB   GLN  18          2HB       GLN  18  -8.615  -6.676  -4.322
  138   2HB   GLN  18          1HB       GLN  18  -9.822  -6.006  -3.228
  139   1HG   GLN  18          2HG       GLN  18  -9.832  -3.933  -4.464
  140   2HG   GLN  18          1HG       GLN  18  -8.534  -4.518  -5.503
  141   1HE2  GLN  18          1HE2      GLN  18 -11.679  -3.902  -5.477
  142   2HE2  GLN  18          2HE2      GLN  18 -12.264  -5.105  -6.582
  143    H    GLU  19           H        GLU  19  -6.691  -2.981  -2.941
  144    HA   GLU  19           HA       GLU  19  -8.562  -1.807  -0.986
  145   1HB   GLU  19          2HB       GLU  19  -5.772  -0.806  -1.457
  146   2HB   GLU  19          1HB       GLU  19  -6.794  -0.575  -0.054
  147   1HG   GLU  19          2HG       GLU  19  -6.341  -3.359  -0.409
  148   2HG   GLU  19          1HG       GLU  19  -4.797  -2.510  -0.470
  149    H    THR  20           H        THR  20  -8.663   0.607  -1.105
  150    HA   THR  20           HA       THR  20  -8.592   1.503  -3.908
  151    HB   THR  20           HB       THR  20 -10.359   2.798  -1.867
  152    HG1  THR  20           1HG      THR  20 -10.815   0.510  -1.823
  153   1HG2  THR  20          1HG2      THR  20 -11.363   2.407  -4.563
  154   2HG2  THR  20          2HG2      THR  20  -9.794   3.210  -4.554
  155   3HG2  THR  20          3HG2      THR  20 -11.139   3.902  -3.647
  156    H    ASP  21           H        ASP  21  -7.660   3.450  -4.369
  157    HA   ASP  21           HA       ASP  21  -5.897   4.507  -2.358
  158   1HB   ASP  21          2HB       ASP  21  -4.644   5.274  -4.080
  159   2HB   ASP  21          1HB       ASP  21  -5.628   4.181  -5.034
  160    H    GLU  22           H        GLU  22  -5.659   7.044  -2.695
  161    HA   GLU  22           HA       GLU  22  -7.753   8.157  -1.183
  162   1HB   GLU  22          2HB       GLU  22  -6.271  10.221  -2.515
  163   2HB   GLU  22          1HB       GLU  22  -6.246   9.761  -0.820
  164   1HG   GLU  22          2HG       GLU  22  -4.755   7.832  -2.249
  165   2HG   GLU  22          1HG       GLU  22  -4.236   9.424  -2.793
  166    H    ASN  23           H        ASN  23  -7.130   8.119  -4.614
  167    HA   ASN  23           HA       ASN  23  -9.092  10.161  -5.191
  168   1HB   ASN  23          2HB       ASN  23  -7.498   8.338  -7.003
  169   2HB   ASN  23          1HB       ASN  23  -8.559   9.628  -7.563
  170   1HD2  ASN  23          1HD2      ASN  23  -5.535   8.851  -6.047
  171   2HD2  ASN  23          2HD2      ASN  23  -4.863  10.452  -6.143
  172    H    GLY  24           H        GLY  24  -8.795   6.653  -5.574
  173   1HA   GLY  24          1HA       GLY  24 -11.058   5.587  -4.959
  174   2HA   GLY  24          2HA       GLY  24 -11.652   6.537  -6.316
  175    H    GLN  25           H        GLN  25  -8.531   5.638  -6.951
  176    HA   GLN  25           HA       GLN  25  -9.303   3.632  -8.836
  177   1HB   GLN  25          2HB       GLN  25  -7.171   5.422  -8.583
  178   2HB   GLN  25          1HB       GLN  25  -6.449   3.835  -8.359
  179   1HG   GLN  25          2HG       GLN  25  -8.193   4.579 -10.693
  180   2HG   GLN  25          1HG       GLN  25  -6.432   4.666 -10.702
  181   1HE2  GLN  25          1HE2      GLN  25  -5.262   2.839 -10.970
  182   2HE2  GLN  25          2HE2      GLN  25  -5.955   1.275 -11.235
  183    H    VAL  26           H        VAL  26  -8.991   1.438  -8.660
  184    HA   VAL  26           HA       VAL  26  -8.431   0.501  -5.972
  185    HB   VAL  26           HB       VAL  26 -10.369  -0.331  -7.473
  186   1HG1  VAL  26          1HG1      VAL  26  -9.918  -1.557  -9.267
  187   2HG1  VAL  26          2HG1      VAL  26  -8.202  -1.217  -9.022
  188   3HG1  VAL  26          3HG1      VAL  26  -8.929  -2.654  -8.302
  189   1HG2  VAL  26          1HG2      VAL  26 -10.602  -2.101  -6.072
  190   2HG2  VAL  26          2HG2      VAL  26  -8.913  -2.592  -6.234
  191   3HG2  VAL  26          3HG2      VAL  26  -9.339  -1.208  -5.223
  192    H    PHE  27           H        PHE  27  -6.976  -1.145  -5.520
  193    HA   PHE  27           HA       PHE  27  -4.990  -1.892  -7.472
  194   1HB   PHE  27          2HB       PHE  27  -3.071  -0.976  -6.255
  195   2HB   PHE  27          1HB       PHE  27  -4.149   0.318  -6.758
  196    HD1  PHE  27           1HD      PHE  27  -2.590  -1.372  -3.978
  197    HD2  PHE  27           2HD      PHE  27  -5.601   1.423  -5.077
  198    HE1  PHE  27           1HE      PHE  27  -2.673  -0.560  -1.665
  199    HE2  PHE  27           2HE      PHE  27  -5.685   2.250  -2.769
  200    HZ   PHE  27           HZ       PHE  27  -4.240   1.252  -1.062
  201    H    PHE  28           H        PHE  28  -3.388  -3.369  -6.529
  202    HA   PHE  28           HA       PHE  28  -4.672  -4.962  -4.411
  203   1HB   PHE  28          2HB       PHE  28  -2.878  -6.059  -6.563
  204   2HB   PHE  28          1HB       PHE  28  -4.031  -6.925  -5.552
  205    HD1  PHE  28           1HD      PHE  28  -6.531  -5.924  -5.802
  206    HD2  PHE  28           2HD      PHE  28  -3.475  -5.763  -8.759
  207    HE1  PHE  28           1HE      PHE  28  -8.239  -5.718  -7.544
  208    HE2  PHE  28           2HE      PHE  28  -5.182  -5.555 -10.516
  209    HZ   PHE  28           HZ       PHE  28  -7.572  -5.530  -9.912
  210    H    VAL  29           H        VAL  29  -3.460  -5.491  -2.683
  211    HA   VAL  29           HA       VAL  29  -0.562  -5.078  -2.897
  212    HB   VAL  29           HB       VAL  29  -0.898  -3.197  -1.702
  213   1HG1  VAL  29          1HG1      VAL  29  -3.158  -2.904  -1.675
  214   2HG1  VAL  29          2HG1      VAL  29  -3.462  -4.439  -0.857
  215   3HG1  VAL  29          3HG1      VAL  29  -2.817  -3.068   0.047
  216   1HG2  VAL  29          1HG2      VAL  29   0.357  -4.687  -0.203
  217   2HG2  VAL  29          2HG2      VAL  29  -0.597  -3.496   0.684
  218   3HG2  VAL  29          3HG2      VAL  29  -1.158  -5.164   0.566
  219    H    ASP  30           H        ASP  30   0.443  -6.861  -2.484
  220    HA   ASP  30           HA       ASP  30  -0.659  -8.972  -0.858
  221   1HB   ASP  30          2HB       ASP  30   0.748  -9.725  -2.617
  222   2HB   ASP  30          1HB       ASP  30   1.994  -8.536  -2.237
  223    H    HIS  31           H        HIS  31  -0.732  -8.754   1.272
  224    HA   HIS  31           HA       HIS  31   0.908  -6.740   2.542
  225   1HB   HIS  31          2HB       HIS  31  -1.375  -8.458   3.452
  226   2HB   HIS  31          1HB       HIS  31  -0.403  -7.571   4.622
  227    HD1  HIS  31           1HD      HIS  31  -0.495  -4.935   4.472
  228    HD2  HIS  31           2HD      HIS  31  -3.196  -6.951   2.033
  229    HE1  HIS  31           1HE      HIS  31  -2.133  -3.195   3.688
  230    HE2  HIS  31           2HE      HIS  31  -3.880  -4.472   2.397
  231    H    ILE  32           H        ILE  32   1.298  -9.975   1.836
  232    HA   ILE  32           HA       ILE  32   2.724 -10.742   4.216
  233    HB   ILE  32           HB       ILE  32   2.899 -12.081   1.522
  234   1HG1  ILE  32          1HG1      ILE  32   0.517 -11.693   2.349
  235   2HG1  ILE  32          2HG1      ILE  32   0.980 -13.374   1.991
  236   1HG2  ILE  32          1HG2      ILE  32   4.475 -12.631   3.480
  237   2HG2  ILE  32          2HG2      ILE  32   3.066 -13.404   4.205
  238   3HG2  ILE  32          3HG2      ILE  32   3.674 -13.963   2.647
  239   1HD1  ILE  32          1HD1      ILE  32   1.569 -13.284   4.615
  240   2HD1  ILE  32          2HD1      ILE  32   0.257 -12.104   4.561
  241   3HD1  ILE  32          3HD1      ILE  32  -0.012 -13.750   3.985
  242    H    ASN  33           H        ASN  33   3.691 -10.084   0.838
  243    HA   ASN  33           HA       ASN  33   6.459  -9.770   1.763
  244   1HB   ASN  33          2HB       ASN  33   5.373  -9.971  -1.052
  245   2HB   ASN  33          1HB       ASN  33   7.070  -9.912  -0.613
  246   1HD2  ASN  33          1HD2      ASN  33   4.236 -11.809  -0.787
  247   2HD2  ASN  33          2HD2      ASN  33   4.990 -13.325  -0.421
  248    H    LYS  34           H        LYS  34   3.842  -7.850   1.284
  249    HA   LYS  34           HA       LYS  34   3.590  -5.601   1.420
  250   1HB   LYS  34          2HB       LYS  34   6.514  -5.882   1.911
  251   2HB   LYS  34          1HB       LYS  34   5.885  -4.281   1.562
  252   1HG   LYS  34          2HG       LYS  34   5.884  -4.418   3.885
  253   2HG   LYS  34          1HG       LYS  34   4.206  -4.719   3.428
  254   1HD   LYS  34          2HD       LYS  34   4.639  -7.149   3.611
  255   2HD   LYS  34          1HD       LYS  34   6.273  -6.783   4.176
  256   1HE   LYS  34          2HE       LYS  34   4.984  -7.169   6.118
  257   2HE   LYS  34          1HE       LYS  34   5.196  -5.422   6.012
  258   1HZ   LYS  34          1HZ       LYS  34   2.933  -5.942   6.574
  259   2HZ   LYS  34          2HZ       LYS  34   2.774  -6.952   5.223
  260   3HZ   LYS  34          3HZ       LYS  34   2.972  -5.280   5.013
  261    H    ARG  35           H        ARG  35   3.071  -6.350  -0.968
  262    HA   ARG  35           HA       ARG  35   4.549  -4.491  -2.712
  263   1HB   ARG  35          2HB       ARG  35   3.144  -6.501  -4.229
  264   2HB   ARG  35          1HB       ARG  35   4.837  -6.035  -4.291
  265   1HG   ARG  35          2HG       ARG  35   5.319  -7.540  -2.425
  266   2HG   ARG  35          1HG       ARG  35   3.618  -8.007  -2.367
  267   1HD   ARG  35          2HD       ARG  35   4.811  -9.688  -3.579
  268   2HD   ARG  35          1HD       ARG  35   3.828  -8.782  -4.728
  269    HE   ARG  35           HE       ARG  35   5.757  -7.868  -5.659
  270   1HH1  ARG  35          2HH1      ARG  35   6.502  -9.903  -2.912
  271   2HH1  ARG  35          1HH1      ARG  35   8.207  -9.954  -3.230
  272   1HH2  ARG  35          2HH2      ARG  35   8.004  -7.960  -6.125
  273   2HH2  ARG  35          1HH2      ARG  35   9.052  -8.888  -5.091
  274    H    THR  36           H        THR  36   3.372  -2.828  -3.321
  275    HA   THR  36           HA       THR  36   0.432  -3.102  -3.478
  276    HB   THR  36           HB       THR  36   0.940  -0.431  -3.733
  277    HG1  THR  36           1HG      THR  36   2.416  -0.312  -1.660
  278   1HG2  THR  36          1HG2      THR  36   0.553  -1.888  -1.126
  279   2HG2  THR  36          2HG2      THR  36  -0.728  -1.518  -2.279
  280   3HG2  THR  36          3HG2      THR  36   0.133  -0.210  -1.465
  281    H    THR  37           H        THR  37  -0.225  -3.449  -5.537
  282    HA   THR  37           HA       THR  37   1.094  -1.895  -7.659
  283    HB   THR  37           HB       THR  37   1.867  -4.120  -8.017
  284    HG1  THR  37           1HG      THR  37  -0.116  -4.374  -9.882
  285   1HG2  THR  37          1HG2      THR  37   0.753  -5.978  -7.485
  286   2HG2  THR  37          2HG2      THR  37  -0.628  -5.508  -8.479
  287   3HG2  THR  37          3HG2      THR  37  -0.502  -4.937  -6.813
  288    H    TYR  38           H        TYR  38  -0.204  -0.736  -8.908
  289    HA   TYR  38           HA       TYR  38  -3.044  -0.750  -8.366
  290   1HB   TYR  38          2HB       TYR  38  -1.206   0.968 -10.006
  291   2HB   TYR  38          1HB       TYR  38  -2.950   1.094 -10.206
  292    HD1  TYR  38           1HD      TYR  38  -4.153   2.535  -8.837
  293    HD2  TYR  38           2HD      TYR  38  -0.317   1.198  -7.578
  294    HE1  TYR  38           1HE      TYR  38  -4.262   4.060  -6.909
  295    HE2  TYR  38           2HE      TYR  38  -0.408   2.717  -5.652
  296    HH   TYR  38           HH       TYR  38  -2.597   5.227  -5.384
  297    H    LEU  39           H        LEU  39  -1.005  -2.366 -10.470
  298    HA   LEU  39           HA       LEU  39  -3.154  -2.827 -12.417
  299   1HB   LEU  39          2HB       LEU  39  -0.860  -1.896 -13.111
  300   2HB   LEU  39          1HB       LEU  39  -0.274  -3.521 -12.815
  301    HG   LEU  39           HG       LEU  39  -2.619  -3.602 -14.471
  302   1HD1  LEU  39          1HD1      LEU  39  -2.135  -2.248 -16.204
  303   2HD1  LEU  39          2HD1      LEU  39  -1.382  -1.288 -14.929
  304   3HD1  LEU  39          3HD1      LEU  39  -0.394  -2.343 -15.937
  305   1HD2  LEU  39          1HD2      LEU  39   0.000  -4.313 -15.554
  306   2HD2  LEU  39          2HD2      LEU  39  -0.386  -5.041 -13.992
  307   3HD2  LEU  39          3HD2      LEU  39  -1.464  -5.284 -15.368
  308    H    ASP  40           H        ASP  40  -3.214  -5.051 -13.286
  309    HA   ASP  40           HA       ASP  40  -3.625  -6.880 -11.168
  310   1HB   ASP  40          2HB       ASP  40  -4.765  -6.791 -13.455
  311   2HB   ASP  40          1HB       ASP  40  -3.356  -7.637 -14.070
  312    HA   PRO  41           HA       PRO  41   0.567  -8.163 -10.576
  313   1HB   PRO  41          2HB       PRO  41  -0.619 -10.414  -9.090
  314   2HB   PRO  41          1HB       PRO  41   0.469  -9.141  -8.524
  315   1HG   PRO  41          2HG       PRO  41  -2.116  -9.187  -7.814
  316   2HG   PRO  41          1HG       PRO  41  -1.263  -7.662  -8.116
  317   1HD   PRO  41          2HD       PRO  41  -3.157  -9.157  -9.887
  318   2HD   PRO  41          1HD       PRO  41  -3.036  -7.412  -9.585
  319    H    ARG  42           H        ARG  42  -1.885 -10.205 -11.969
  320    HA   ARG  42           HA       ARG  42  -0.113 -12.445 -12.350
  321   1HB   ARG  42          2HB       ARG  42  -1.977 -13.622 -12.759
  322   2HB   ARG  42          1HB       ARG  42  -2.826 -12.195 -12.196
  323   1HG   ARG  42          2HG       ARG  42  -3.531 -11.614 -14.279
  324   2HG   ARG  42          1HG       ARG  42  -2.119 -12.318 -15.072
  325   1HD   ARG  42          2HD       ARG  42  -4.467 -13.802 -13.897
  326   2HD   ARG  42          1HD       ARG  42  -4.088 -13.616 -15.607
  327    HE   ARG  42           HE       ARG  42  -2.003 -14.922 -15.081
  328   1HH1  ARG  42          2HH1      ARG  42  -4.904 -15.266 -13.134
  329   2HH1  ARG  42          1HH1      ARG  42  -4.538 -16.891 -12.653
  330   1HH2  ARG  42          2HH2      ARG  42  -1.513 -17.047 -14.451
  331   2HH2  ARG  42          1HH2      ARG  42  -2.611 -17.912 -13.408
  332    H    LEU  43           H        LEU  43  -0.454  -9.529 -13.934
  333    HA   LEU  43           HA       LEU  43  -0.294 -10.289 -16.631
  334   1HB   LEU  43          2HB       LEU  43   0.321  -7.808 -15.080
  335   2HB   LEU  43          1HB       LEU  43   0.708  -7.899 -16.786
  336    HG   LEU  43           HG       LEU  43  -1.653  -7.004 -15.748
  337   1HD1  LEU  43          1HD1      LEU  43  -0.886  -8.119 -18.408
  338   2HD1  LEU  43          2HD1      LEU  43  -2.466  -7.389 -18.132
  339   3HD1  LEU  43          3HD1      LEU  43  -1.005  -6.432 -17.904
  340   1HD2  LEU  43          1HD2      LEU  43  -3.388  -8.547 -16.113
  341   2HD2  LEU  43          2HD2      LEU  43  -2.312  -9.698 -16.906
  342   3HD2  LEU  43          3HD2      LEU  43  -2.187  -9.426 -15.165
  343    H    ALA  44           H        ALA  44   2.308  -8.313 -15.379
  344    HA   ALA  44           HA       ALA  44   4.183 -10.128 -16.730
  345   1HB   ALA  44          1HB       ALA  44   4.940  -7.333 -16.062
  346   2HB   ALA  44          2HB       ALA  44   5.392  -8.328 -17.449
  347   3HB   ALA  44          3HB       ALA  44   3.784  -7.607 -17.368
  348    H    PHE  45           H        PHE  45   3.208  -9.631 -13.729
  349    HA   PHE  45           HA       PHE  45   5.848  -9.279 -12.524
  350   1HB   PHE  45          2HB       PHE  45   3.248  -9.381 -11.020
  351   2HB   PHE  45          1HB       PHE  45   4.760  -8.611 -10.546
  352    HD1  PHE  45           1HD      PHE  45   5.527  -6.579 -11.852
  353    HD2  PHE  45           2HD      PHE  45   1.595  -8.168 -12.156
  354    HE1  PHE  45           1HE      PHE  45   4.733  -4.438 -12.766
  355    HE2  PHE  45           2HE      PHE  45   0.796  -6.035 -13.071
  356    HZ   PHE  45           HZ       PHE  45   2.365  -4.163 -13.379
  357    H    THR  46           H        THR  46   3.543 -11.694 -13.175
  358    HA   THR  46           HA       THR  46   4.625 -13.497 -11.143
  359    HB   THR  46           HB       THR  46   2.794 -14.971 -12.539
  360    HG1  THR  46           1HG      THR  46   1.651 -13.600 -13.691
  361   1HG2  THR  46          1HG2      THR  46   1.776 -13.152 -10.402
  362   2HG2  THR  46          2HG2      THR  46   3.074 -14.278 -10.006
  363   3HG2  THR  46          3HG2      THR  46   1.534 -14.888 -10.611
  364    H    VAL  47           H        VAL  47   5.145 -15.736 -11.840
  365    HA   VAL  47           HA       VAL  47   6.451 -15.806 -14.457
  366    HB   VAL  47           HB       VAL  47   7.337 -18.025 -13.697
  367   1HG1  VAL  47          1HG1      VAL  47   8.177 -16.213 -11.541
  368   2HG1  VAL  47          2HG1      VAL  47   9.131 -17.019 -12.784
  369   3HG1  VAL  47          3HG1      VAL  47   8.256 -15.538 -13.169
  370   1HG2  VAL  47          1HG2      VAL  47   7.169 -18.634 -11.343
  371   2HG2  VAL  47          2HG2      VAL  47   6.129 -17.243 -11.043
  372   3HG2  VAL  47          3HG2      VAL  47   5.566 -18.556 -12.076
  373    H    ASP  48           H        ASP  48   3.615 -16.663 -12.911
  374    HA   ASP  48           HA       ASP  48   1.747 -17.794 -13.442
  375   1HB   ASP  48          2HB       ASP  48   2.266 -16.388 -15.604
  376   2HB   ASP  48          1HB       ASP  48   2.556 -17.975 -16.315
  377    H    ASP  49           H        ASP  49   1.306 -19.689 -15.532
  378    HA   ASP  49           HA       ASP  49   3.108 -21.902 -14.809
  379   1HB   ASP  49          2HB       ASP  49   0.794 -21.774 -13.565
  380   2HB   ASP  49          1HB       ASP  49   0.165 -22.386 -15.094
  381    H    ASN  50           H        ASN  50   1.245 -20.193 -17.099
  382    HA   ASN  50           HA       ASN  50   1.821 -22.228 -19.154
  383   1HB   ASN  50          2HB       ASN  50  -0.535 -21.916 -19.092
  384   2HB   ASN  50          1HB       ASN  50  -0.380 -20.169 -18.944
  385   1HD2  ASN  50          1HD2      ASN  50  -0.292 -18.952 -20.735
  386   2HD2  ASN  50          2HD2      ASN  50  -0.339 -19.572 -22.350
  387    HA   PRO  51           HA       PRO  51   4.683 -19.029 -20.475
  388   1HB   PRO  51          2HB       PRO  51   6.040 -20.527 -22.250
  389   2HB   PRO  51          1HB       PRO  51   6.257 -20.720 -20.506
  390   1HG   PRO  51          2HG       PRO  51   4.650 -22.371 -22.415
  391   2HG   PRO  51          1HG       PRO  51   5.678 -22.898 -21.069
  392   1HD   PRO  51          2HD       PRO  51   2.943 -22.694 -20.931
  393   2HD   PRO  51          1HD       PRO  51   4.019 -22.585 -19.528
  394    H    THR  52           H        THR  52   5.036 -17.807 -22.357
  395    HA   THR  52           HA       THR  52   2.876 -17.699 -24.225
  396    HB   THR  52           HB       THR  52   5.015 -16.214 -25.272
  397    HG1  THR  52           1HG      THR  52   5.963 -15.237 -23.515
  398   1HG2  THR  52          1HG2      THR  52   2.418 -15.788 -24.121
  399   2HG2  THR  52          2HG2      THR  52   3.281 -14.813 -25.314
  400   3HG2  THR  52          3HG2      THR  52   3.525 -14.523 -23.591
  401    H    LYS  53           H        LYS  53   6.332 -17.871 -24.959
  402    HA   LYS  53           HA       LYS  53   5.904 -20.237 -26.610
  403   1HB   LYS  53          2HB       LYS  53   7.070 -17.634 -27.609
  404   2HB   LYS  53          1HB       LYS  53   7.430 -19.171 -28.381
  405   1HG   LYS  53          2HG       LYS  53   4.610 -18.234 -27.971
  406   2HG   LYS  53          1HG       LYS  53   5.562 -17.750 -29.374
  407   1HD   LYS  53          2HD       LYS  53   5.713 -19.947 -30.172
  408   2HD   LYS  53          1HD       LYS  53   5.246 -20.640 -28.618
  409   1HE   LYS  53          2HE       LYS  53   3.332 -20.878 -29.940
  410   2HE   LYS  53          1HE       LYS  53   3.006 -19.436 -28.979
  411   1HZ   LYS  53          1HZ       LYS  53   4.296 -19.062 -31.573
  412   2HZ   LYS  53          2HZ       LYS  53   3.160 -18.089 -30.776
  413   3HZ   LYS  53          3HZ       LYS  53   2.656 -19.498 -31.576
  414    HA   PRO  54           HA       PRO  54  10.418 -19.998 -25.064
  415   1HB   PRO  54          2HB       PRO  54  10.941 -17.484 -23.767
  416   2HB   PRO  54          1HB       PRO  54  11.701 -18.141 -25.217
  417   1HG   PRO  54          2HG       PRO  54  10.078 -15.929 -25.211
  418   2HG   PRO  54          1HG       PRO  54  10.322 -16.978 -26.617
  419   1HD   PRO  54          2HD       PRO  54   8.057 -16.939 -24.658
  420   2HD   PRO  54          1HD       PRO  54   8.021 -17.126 -26.428
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -20.199 -31.667 -13.788
    2   2H    GLY   1          2H        GLY   1 -18.827 -32.325 -14.536
    3   3H    GLY   1          3H        GLY   1 -20.180 -31.904 -15.466
    4   1HA   GLY   1          2HA       GLY   1 -18.594 -30.214 -15.803
    5   2HA   GLY   1          1HA       GLY   1 -19.851 -29.557 -14.762
    6    H    SER   2           H        SER   2 -17.659 -28.170 -14.628
    7    HA   SER   2           HA       SER   2 -16.554 -28.839 -12.016
    8   1HB   SER   2          2HB       SER   2 -14.413 -27.889 -13.721
    9   2HB   SER   2          1HB       SER   2 -14.477 -29.340 -12.720
   10    HG   SER   2           HG       SER   2 -15.437 -29.029 -15.381
   11    H    ALA   3           H        ALA   3 -15.614 -27.015 -10.937
   12    HA   ALA   3           HA       ALA   3 -16.815 -24.504 -11.670
   13   1HB   ALA   3          1HB       ALA   3 -15.691 -25.671  -9.315
   14   2HB   ALA   3          2HB       ALA   3 -14.919 -24.113  -9.610
   15   3HB   ALA   3          3HB       ALA   3 -16.676 -24.216  -9.467
   16    H    LYS   4           H        LYS   4 -15.743 -22.614 -12.321
   17    HA   LYS   4           HA       LYS   4 -13.041 -23.116 -13.391
   18   1HB   LYS   4          2HB       LYS   4 -14.972 -22.950 -15.066
   19   2HB   LYS   4          1HB       LYS   4 -15.030 -21.239 -14.658
   20   1HG   LYS   4          2HG       LYS   4 -13.567 -20.990 -16.322
   21   2HG   LYS   4          1HG       LYS   4 -12.374 -21.612 -15.183
   22   1HD   LYS   4          2HD       LYS   4 -13.915 -23.665 -16.611
   23   2HD   LYS   4          1HD       LYS   4 -12.867 -22.676 -17.630
   24   1HE   LYS   4          2HE       LYS   4 -10.995 -23.182 -16.058
   25   2HE   LYS   4          1HE       LYS   4 -12.065 -24.308 -15.224
   26   1HZ   LYS   4          1HZ       LYS   4 -11.915 -24.699 -18.082
   27   2HZ   LYS   4          2HZ       LYS   4 -11.819 -25.832 -16.823
   28   3HZ   LYS   4          3HZ       LYS   4 -10.446 -24.951 -17.275
   29    H    ARG   5           H        ARG   5 -15.181 -20.299 -12.781
   30    HA   ARG   5           HA       ARG   5 -13.182 -19.038 -11.149
   31   1HB   ARG   5          2HB       ARG   5 -12.885 -18.726 -13.898
   32   2HB   ARG   5          1HB       ARG   5 -13.684 -17.246 -13.380
   33   1HG   ARG   5          2HG       ARG   5 -11.198 -18.316 -12.075
   34   2HG   ARG   5          1HG       ARG   5 -11.176 -17.187 -13.431
   35   1HD   ARG   5          2HD       ARG   5 -11.685 -15.447 -12.121
   36   2HD   ARG   5          1HD       ARG   5 -12.958 -16.345 -11.292
   37    HE   ARG   5           HE       ARG   5 -11.452 -16.934  -9.639
   38   1HH1  ARG   5          2HH1      ARG   5  -9.814 -15.263 -12.239
   39   2HH1  ARG   5          1HH1      ARG   5  -8.302 -15.142 -11.392
   40   1HH2  ARG   5          2HH2      ARG   5  -9.496 -16.764  -8.503
   41   2HH2  ARG   5          1HH2      ARG   5  -8.126 -15.981  -9.236
   42    H    LYS   6           H        LYS   6 -14.800 -18.712  -9.649
   43    HA   LYS   6           HA       LYS   6 -16.810 -16.712 -10.420
   44   1HB   LYS   6          2HB       LYS   6 -17.066 -19.014  -8.860
   45   2HB   LYS   6          1HB       LYS   6 -17.040 -17.696  -7.693
   46   1HG   LYS   6          2HG       LYS   6 -19.311 -18.409  -8.558
   47   2HG   LYS   6          1HG       LYS   6 -18.945 -16.685  -8.622
   48   1HD   LYS   6          2HD       LYS   6 -18.159 -17.151 -11.025
   49   2HD   LYS   6          1HD       LYS   6 -19.030 -18.676 -10.867
   50   1HE   LYS   6          2HE       LYS   6 -20.751 -16.654  -9.922
   51   2HE   LYS   6          1HE       LYS   6 -20.045 -16.055 -11.422
   52   1HZ   LYS   6          1HZ       LYS   6 -22.094 -17.302 -11.797
   53   2HZ   LYS   6          2HZ       LYS   6 -21.394 -18.681 -11.102
   54   3HZ   LYS   6          3HZ       LYS   6 -20.770 -18.051 -12.546
   55    H    ARG   7           H        ARG   7 -16.166 -14.702 -10.088
   56    HA   ARG   7           HA       ARG   7 -13.946 -14.146  -8.316
   57   1HB   ARG   7          2HB       ARG   7 -14.400 -11.740  -9.223
   58   2HB   ARG   7          1HB       ARG   7 -13.697 -12.953 -10.280
   59   1HG   ARG   7          2HG       ARG   7 -16.548 -13.072 -10.464
   60   2HG   ARG   7          1HG       ARG   7 -16.004 -11.413 -10.714
   61   1HD   ARG   7          2HD       ARG   7 -14.958 -13.844 -12.167
   62   2HD   ARG   7          1HD       ARG   7 -16.111 -12.681 -12.816
   63    HE   ARG   7           HE       ARG   7 -13.254 -12.251 -12.360
   64   1HH1  ARG   7          2HH1      ARG   7 -16.355 -10.993 -13.454
   65   2HH1  ARG   7          1HH1      ARG   7 -15.644  -9.613 -14.242
   66   1HH2  ARG   7          2HH2      ARG   7 -12.341 -10.447 -13.431
   67   2HH2  ARG   7          1HH2      ARG   7 -13.386  -9.305 -14.222
   68    H    VAL   8           H        VAL   8 -15.584 -14.912  -6.545
   69    HA   VAL   8           HA       VAL   8 -17.073 -12.589  -5.538
   70    HB   VAL   8           HB       VAL   8 -17.122 -15.313  -4.267
   71   1HG1  VAL   8          1HG1      VAL   8 -18.054 -13.374  -3.052
   72   2HG1  VAL   8          2HG1      VAL   8 -19.185 -13.117  -4.380
   73   3HG1  VAL   8          3HG1      VAL   8 -19.265 -14.599  -3.426
   74   1HG2  VAL   8          1HG2      VAL   8 -18.809 -14.376  -6.589
   75   2HG2  VAL   8          2HG2      VAL   8 -17.689 -15.739  -6.569
   76   3HG2  VAL   8          3HG2      VAL   8 -19.162 -15.794  -5.601
   77    H    ALA   9           H        ALA   9 -15.353 -15.229  -3.892
   78    HA   ALA   9           HA       ALA   9 -13.913 -13.169  -2.348
   79   1HB   ALA   9          1HB       ALA   9 -15.587 -14.498  -1.055
   80   2HB   ALA   9          2HB       ALA   9 -14.618 -15.935  -1.387
   81   3HB   ALA   9          3HB       ALA   9 -13.937 -14.612  -0.443
   82    H    GLY  10           H        GLY  10 -11.791 -13.129  -2.630
   83   1HA   GLY  10          1HA       GLY  10  -9.627 -13.974  -2.752
   84   2HA   GLY  10          2HA       GLY  10 -10.289 -15.595  -2.873
   85    H    ASP  11           H        ASP  11 -10.600 -12.656  -4.880
   86    HA   ASP  11           HA       ASP  11 -10.303 -14.103  -7.324
   87   1HB   ASP  11          2HB       ASP  11 -11.506 -12.003  -7.349
   88   2HB   ASP  11          1HB       ASP  11 -10.111 -11.143  -6.708
   89    H    LEU  12           H        LEU  12  -8.203 -11.895  -5.529
   90    HA   LEU  12           HA       LEU  12  -5.859 -12.594  -7.038
   91   1HB   LEU  12          2HB       LEU  12  -5.972 -11.166  -4.391
   92   2HB   LEU  12          1HB       LEU  12  -4.726 -11.055  -5.619
   93    HG   LEU  12           HG       LEU  12  -7.389 -10.208  -6.531
   94   1HD1  LEU  12          1HD1      LEU  12  -5.922  -8.647  -4.405
   95   2HD1  LEU  12          2HD1      LEU  12  -7.276  -8.050  -5.364
   96   3HD1  LEU  12          3HD1      LEU  12  -7.512  -9.391  -4.241
   97   1HD2  LEU  12          1HD2      LEU  12  -5.711  -9.745  -8.023
   98   2HD2  LEU  12          2HD2      LEU  12  -5.807  -8.217  -7.147
   99   3HD2  LEU  12          3HD2      LEU  12  -4.534  -9.380  -6.758
  100    HA   PRO  13           HA       PRO  13  -4.123 -15.811  -4.376
  101   1HB   PRO  13          2HB       PRO  13  -1.851 -13.980  -3.787
  102   2HB   PRO  13          1HB       PRO  13  -1.830 -15.639  -4.391
  103   1HG   PRO  13          2HG       PRO  13  -1.311 -13.598  -6.014
  104   2HG   PRO  13          1HG       PRO  13  -2.255 -14.990  -6.574
  105   1HD   PRO  13          2HD       PRO  13  -3.182 -12.263  -5.775
  106   2HD   PRO  13          1HD       PRO  13  -3.762 -13.316  -7.081
  107    H    TYR  14           H        TYR  14  -3.376 -16.138  -2.081
  108    HA   TYR  14           HA       TYR  14  -5.362 -15.018  -0.443
  109   1HB   TYR  14          2HB       TYR  14  -4.807 -17.126   0.247
  110   2HB   TYR  14          1HB       TYR  14  -3.098 -16.912  -0.111
  111    HD1  TYR  14           1HD      TYR  14  -5.736 -16.360   2.385
  112    HD2  TYR  14           2HD      TYR  14  -1.578 -16.079   1.545
  113    HE1  TYR  14           1HE      TYR  14  -5.285 -16.016   4.775
  114    HE2  TYR  14           2HE      TYR  14  -1.112 -15.735   3.931
  115    HH   TYR  14           HH       TYR  14  -2.083 -15.185   5.948
  116    H    GLY  15           H        GLY  15  -1.910 -14.306  -0.736
  117   1HA   GLY  15          1HA       GLY  15  -1.759 -12.588   1.513
  118   2HA   GLY  15          2HA       GLY  15  -0.606 -12.670   0.190
  119    H    TRP  16           H        TRP  16  -2.886 -12.059  -1.726
  120    HA   TRP  16           HA       TRP  16  -2.408  -9.213  -1.645
  121   1HB   TRP  16          2HB       TRP  16  -3.751 -11.009  -3.657
  122   2HB   TRP  16          1HB       TRP  16  -3.621  -9.264  -3.857
  123    HD1  TRP  16           HD       TRP  16  -1.490 -12.423  -3.777
  124    HE1  TRP  16           1HE      TRP  16   0.803 -11.947  -4.810
  125    HE3  TRP  16           3HE      TRP  16  -2.025  -7.408  -4.343
  126    HZ2  TRP  16           2HZ      TRP  16   2.206  -9.617  -5.760
  127    HZ3  TRP  16           3HZ      TRP  16  -0.182  -6.104  -5.293
  128    HH2  TRP  16           HH       TRP  16   1.901  -7.192  -5.998
  129    H    GLU  17           H        GLU  17  -3.829  -7.607  -1.465
  130    HA   GLU  17           HA       GLU  17  -6.651  -8.277  -0.966
  131   1HB   GLU  17          2HB       GLU  17  -4.794  -6.988   0.787
  132   2HB   GLU  17          1HB       GLU  17  -6.011  -5.823   0.302
  133   1HG   GLU  17          2HG       GLU  17  -7.765  -7.413   1.008
  134   2HG   GLU  17          1HG       GLU  17  -6.497  -8.487   1.599
  135    H    GLN  18           H        GLN  18  -8.159  -6.789  -1.732
  136    HA   GLN  18           HA       GLN  18  -7.172  -5.011  -3.836
  137   1HB   GLN  18          2HB       GLN  18  -8.893  -6.621  -4.475
  138   2HB   GLN  18          1HB       GLN  18  -9.953  -6.037  -3.202
  139   1HG   GLN  18          2HG       GLN  18 -10.356  -4.018  -4.318
  140   2HG   GLN  18          1HG       GLN  18  -8.992  -4.252  -5.410
  141   1HE2  GLN  18          1HE2      GLN  18  -9.365  -5.157  -7.320
  142   2HE2  GLN  18          2HE2      GLN  18 -10.830  -5.939  -7.794
  143    H    GLU  19           H        GLU  19  -6.631  -3.072  -2.982
  144    HA   GLU  19           HA       GLU  19  -8.451  -1.869  -1.006
  145   1HB   GLU  19          2HB       GLU  19  -5.600  -1.133  -1.689
  146   2HB   GLU  19          1HB       GLU  19  -6.597  -0.320  -0.498
  147   1HG   GLU  19          2HG       GLU  19  -6.566  -3.085   0.120
  148   2HG   GLU  19          1HG       GLU  19  -4.909  -2.549  -0.167
  149    H    THR  20           H        THR  20  -8.262   0.660  -1.172
  150    HA   THR  20           HA       THR  20  -8.380   1.486  -3.989
  151    HB   THR  20           HB       THR  20 -10.246   2.690  -1.975
  152    HG1  THR  20           1HG      THR  20 -10.438   0.183  -3.221
  153   1HG2  THR  20          1HG2      THR  20  -9.621   3.299  -4.563
  154   2HG2  THR  20          2HG2      THR  20 -11.121   3.752  -3.753
  155   3HG2  THR  20          3HG2      THR  20 -11.063   2.301  -4.760
  156    H    ASP  21           H        ASP  21  -7.467   3.436  -4.432
  157    HA   ASP  21           HA       ASP  21  -5.849   4.615  -2.377
  158   1HB   ASP  21          2HB       ASP  21  -4.602   5.364  -4.089
  159   2HB   ASP  21          1HB       ASP  21  -5.646   4.416  -5.129
  160    H    GLU  22           H        GLU  22  -5.844   7.162  -2.577
  161    HA   GLU  22           HA       GLU  22  -8.159   7.896  -1.099
  162   1HB   GLU  22          2HB       GLU  22  -7.093  10.240  -1.261
  163   2HB   GLU  22          1HB       GLU  22  -6.224   8.982  -0.396
  164   1HG   GLU  22          2HG       GLU  22  -5.167   8.621  -2.812
  165   2HG   GLU  22          1HG       GLU  22  -5.578  10.332  -2.943
  166    H    ASN  23           H        ASN  23  -7.281   8.216  -4.433
  167    HA   ASN  23           HA       ASN  23  -9.288  10.235  -4.978
  168   1HB   ASN  23          2HB       ASN  23  -7.507   8.640  -6.837
  169   2HB   ASN  23          1HB       ASN  23  -8.578   9.941  -7.340
  170   1HD2  ASN  23          1HD2      ASN  23  -5.656   9.133  -5.619
  171   2HD2  ASN  23          2HD2      ASN  23  -5.029  10.748  -5.562
  172    H    GLY  24           H        GLY  24  -8.836   6.785  -5.339
  173   1HA   GLY  24          1HA       GLY  24 -10.999   5.544  -5.014
  174   2HA   GLY  24          2HA       GLY  24 -11.628   6.564  -6.300
  175    H    GLN  25           H        GLN  25  -8.381   5.710  -6.730
  176    HA   GLN  25           HA       GLN  25  -9.029   3.872  -8.843
  177   1HB   GLN  25          2HB       GLN  25  -6.398   4.915  -7.790
  178   2HB   GLN  25          1HB       GLN  25  -6.525   3.774  -9.123
  179   1HG   GLN  25          2HG       GLN  25  -7.166   5.349 -10.585
  180   2HG   GLN  25          1HG       GLN  25  -8.131   6.219  -9.392
  181   1HE2  GLN  25          1HE2      GLN  25  -6.612   7.116  -7.554
  182   2HE2  GLN  25          2HE2      GLN  25  -5.274   8.043  -8.150
  183    H    VAL  26           H        VAL  26  -8.559   1.673  -8.847
  184    HA   VAL  26           HA       VAL  26  -8.261   0.548  -6.176
  185    HB   VAL  26           HB       VAL  26 -10.001  -0.221  -7.970
  186   1HG1  VAL  26          1HG1      VAL  26  -9.358  -1.550  -9.653
  187   2HG1  VAL  26          2HG1      VAL  26  -7.756  -0.868  -9.380
  188   3HG1  VAL  26          3HG1      VAL  26  -8.193  -2.410  -8.646
  189   1HG2  VAL  26          1HG2      VAL  26  -8.688  -2.519  -6.651
  190   2HG2  VAL  26          2HG2      VAL  26  -9.231  -1.180  -5.632
  191   3HG2  VAL  26          3HG2      VAL  26 -10.386  -2.029  -6.663
  192    H    PHE  27           H        PHE  27  -6.834  -1.131  -5.743
  193    HA   PHE  27           HA       PHE  27  -4.712  -1.806  -7.527
  194   1HB   PHE  27          2HB       PHE  27  -2.858  -0.851  -6.272
  195   2HB   PHE  27          1HB       PHE  27  -3.948   0.435  -6.762
  196    HD1  PHE  27           1HD      PHE  27  -2.636  -1.493  -3.948
  197    HD2  PHE  27           2HD      PHE  27  -5.233   1.668  -5.121
  198    HE1  PHE  27           1HE      PHE  27  -2.786  -0.763  -1.613
  199    HE2  PHE  27           2HE      PHE  27  -5.388   2.411  -2.781
  200    HZ   PHE  27           HZ       PHE  27  -4.186   1.187  -1.026
  201    H    PHE  28           H        PHE  28  -3.192  -3.298  -6.488
  202    HA   PHE  28           HA       PHE  28  -4.584  -4.802  -4.376
  203   1HB   PHE  28          2HB       PHE  28  -2.787  -6.019  -6.460
  204   2HB   PHE  28          1HB       PHE  28  -3.971  -6.824  -5.438
  205    HD1  PHE  28           1HD      PHE  28  -6.457  -5.905  -5.766
  206    HD2  PHE  28           2HD      PHE  28  -3.330  -5.620  -8.634
  207    HE1  PHE  28           1HE      PHE  28  -8.121  -5.688  -7.554
  208    HE2  PHE  28           2HE      PHE  28  -4.990  -5.394 -10.426
  209    HZ   PHE  28           HZ       PHE  28  -7.392  -5.425  -9.890
  210    H    VAL  29           H        VAL  29  -3.385  -5.582  -2.688
  211    HA   VAL  29           HA       VAL  29  -0.516  -4.968  -2.734
  212    HB   VAL  29           HB       VAL  29  -0.919  -3.252  -1.383
  213   1HG1  VAL  29          1HG1      VAL  29  -3.223  -3.113  -1.832
  214   2HG1  VAL  29          2HG1      VAL  29  -3.585  -4.473  -0.765
  215   3HG1  VAL  29          3HG1      VAL  29  -3.025  -2.943  -0.087
  216   1HG2  VAL  29          1HG2      VAL  29  -0.524  -5.508   0.229
  217   2HG2  VAL  29          2HG2      VAL  29  -0.215  -3.820   0.647
  218   3HG2  VAL  29          3HG2      VAL  29  -1.774  -4.554   1.031
  219    H    ASP  30           H        ASP  30   0.637  -6.648  -2.318
  220    HA   ASP  30           HA       ASP  30  -0.321  -9.010  -1.004
  221   1HB   ASP  30          2HB       ASP  30   1.522  -9.009  -2.702
  222   2HB   ASP  30          1HB       ASP  30   2.533  -8.118  -1.570
  223    H    HIS  31           H        HIS  31  -0.682  -9.093   1.139
  224    HA   HIS  31           HA       HIS  31   0.415  -7.003   2.824
  225   1HB   HIS  31          2HB       HIS  31  -1.682  -9.106   3.173
  226   2HB   HIS  31          1HB       HIS  31  -0.992  -8.325   4.594
  227    HD1  HIS  31           1HD      HIS  31  -1.314  -5.677   4.733
  228    HD2  HIS  31           2HD      HIS  31  -3.554  -7.645   1.843
  229    HE1  HIS  31           1HE      HIS  31  -3.079  -4.047   4.018
  230    HE2  HIS  31           2HE      HIS  31  -4.614  -5.385   2.537
  231    H    ILE  32           H        ILE  32   1.499  -9.940   1.835
  232    HA   ILE  32           HA       ILE  32   2.777 -10.648   4.374
  233    HB   ILE  32           HB       ILE  32   3.215 -12.130   1.805
  234   1HG1  ILE  32          1HG1      ILE  32   0.759 -11.772   2.024
  235   2HG1  ILE  32          2HG1      ILE  32   1.248 -13.481   2.119
  236   1HG2  ILE  32          1HG2      ILE  32   3.430 -14.047   3.304
  237   2HG2  ILE  32          2HG2      ILE  32   4.537 -12.743   3.730
  238   3HG2  ILE  32          3HG2      ILE  32   3.075 -13.003   4.679
  239   1HD1  ILE  32          1HD1      ILE  32   1.242 -12.644   4.757
  240   2HD1  ILE  32          2HD1      ILE  32  -0.155 -11.833   4.054
  241   3HD1  ILE  32          3HD1      ILE  32  -0.010 -13.588   3.951
  242    H    ASN  33           H        ASN  33   3.576  -9.952   1.009
  243    HA   ASN  33           HA       ASN  33   6.391  -9.556   1.734
  244   1HB   ASN  33          2HB       ASN  33   5.014  -9.806  -0.948
  245   2HB   ASN  33          1HB       ASN  33   6.736  -9.525  -0.745
  246   1HD2  ASN  33          1HD2      ASN  33   4.281 -11.822  -0.890
  247   2HD2  ASN  33          2HD2      ASN  33   5.228 -13.197  -0.442
  248    H    LYS  34           H        LYS  34   3.619  -7.769   1.370
  249    HA   LYS  34           HA       LYS  34   3.171  -5.557   1.442
  250   1HB   LYS  34          2HB       LYS  34   5.587  -5.854   2.788
  251   2HB   LYS  34          1HB       LYS  34   5.848  -4.492   1.705
  252   1HG   LYS  34          2HG       LYS  34   4.905  -3.257   3.300
  253   2HG   LYS  34          1HG       LYS  34   3.377  -3.948   2.752
  254   1HD   LYS  34          2HD       LYS  34   4.556  -5.830   4.496
  255   2HD   LYS  34          1HD       LYS  34   4.688  -4.249   5.273
  256   1HE   LYS  34          2HE       LYS  34   2.114  -5.158   4.036
  257   2HE   LYS  34          1HE       LYS  34   2.562  -5.663   5.665
  258   1HZ   LYS  34          1HZ       LYS  34   2.891  -2.852   5.293
  259   2HZ   LYS  34          2HZ       LYS  34   2.011  -3.691   6.477
  260   3HZ   LYS  34          3HZ       LYS  34   1.294  -3.342   4.976
  261    H    ARG  35           H        ARG  35   3.066  -6.317  -1.035
  262    HA   ARG  35           HA       ARG  35   4.539  -4.243  -2.521
  263   1HB   ARG  35          2HB       ARG  35   3.422  -6.467  -4.088
  264   2HB   ARG  35          1HB       ARG  35   4.945  -5.618  -4.271
  265   1HG   ARG  35          2HG       ARG  35   5.569  -6.930  -2.079
  266   2HG   ARG  35          1HG       ARG  35   4.296  -8.016  -2.642
  267   1HD   ARG  35          2HD       ARG  35   5.601  -8.859  -4.235
  268   2HD   ARG  35          1HD       ARG  35   6.061  -7.252  -4.796
  269    HE   ARG  35           HE       ARG  35   7.443  -8.823  -2.725
  270   1HH1  ARG  35          2HH1      ARG  35   7.384  -6.146  -4.977
  271   2HH1  ARG  35          1HH1      ARG  35   9.057  -5.744  -4.753
  272   1HH2  ARG  35          2HH2      ARG  35   9.630  -8.300  -2.402
  273   2HH2  ARG  35          1HH2      ARG  35  10.333  -6.948  -3.247
  274    H    THR  36           H        THR  36   3.305  -2.673  -3.229
  275    HA   THR  36           HA       THR  36   0.404  -3.103  -3.563
  276    HB   THR  36           HB       THR  36   0.816  -0.405  -3.807
  277    HG1  THR  36           1HG      THR  36   2.779  -0.073  -3.064
  278   1HG2  THR  36          1HG2      THR  36  -0.871  -1.576  -2.415
  279   2HG2  THR  36          2HG2      THR  36  -0.111  -0.220  -1.583
  280   3HG2  THR  36          3HG2      THR  36   0.380  -1.871  -1.206
  281    H    THR  37           H        THR  37  -0.201  -3.428  -5.637
  282    HA   THR  37           HA       THR  37   1.136  -1.834  -7.721
  283    HB   THR  37           HB       THR  37   1.935  -3.997  -8.202
  284    HG1  THR  37           1HG      THR  37  -0.261  -4.307  -9.861
  285   1HG2  THR  37          1HG2      THR  37   0.935  -5.940  -7.671
  286   2HG2  THR  37          2HG2      THR  37  -0.610  -5.439  -8.360
  287   3HG2  THR  37          3HG2      THR  37  -0.169  -4.935  -6.731
  288    H    TYR  38           H        TYR  38  -0.178  -0.699  -9.025
  289    HA   TYR  38           HA       TYR  38  -2.952  -0.539  -8.376
  290   1HB   TYR  38          2HB       TYR  38  -1.110   0.857 -10.255
  291   2HB   TYR  38          1HB       TYR  38  -2.841   0.966 -10.564
  292    HD1  TYR  38           1HD      TYR  38  -3.917   2.798  -9.672
  293    HD2  TYR  38           2HD      TYR  38  -0.511   1.249  -7.644
  294    HE1  TYR  38           1HE      TYR  38  -4.102   4.596  -8.002
  295    HE2  TYR  38           2HE      TYR  38  -0.688   3.036  -5.967
  296    HH   TYR  38           HH       TYR  38  -1.802   4.832  -5.288
  297    H    LEU  39           H        LEU  39  -1.111  -2.236 -10.764
  298    HA   LEU  39           HA       LEU  39  -3.582  -3.021 -12.141
  299   1HB   LEU  39          2HB       LEU  39  -1.363  -2.095 -13.281
  300   2HB   LEU  39          1HB       LEU  39  -0.944  -3.798 -13.220
  301    HG   LEU  39           HG       LEU  39  -3.629  -3.472 -14.198
  302   1HD1  LEU  39          1HD1      LEU  39  -1.823  -2.422 -16.230
  303   2HD1  LEU  39          2HD1      LEU  39  -3.478  -1.968 -15.828
  304   3HD1  LEU  39          3HD1      LEU  39  -2.136  -1.319 -14.888
  305   1HD2  LEU  39          1HD2      LEU  39  -1.078  -4.587 -15.333
  306   2HD2  LEU  39          2HD2      LEU  39  -2.361  -5.464 -14.501
  307   3HD2  LEU  39          3HD2      LEU  39  -2.665  -4.754 -16.086
  308    H    ASP  40           H        ASP  40  -3.417  -5.328 -13.028
  309    HA   ASP  40           HA       ASP  40  -3.375  -6.974 -10.670
  310   1HB   ASP  40          2HB       ASP  40  -5.019  -7.088 -12.686
  311   2HB   ASP  40          1HB       ASP  40  -3.769  -8.078 -13.436
  312    HA   PRO  41           HA       PRO  41   0.854  -8.146 -11.249
  313   1HB   PRO  41          2HB       PRO  41   1.052  -9.724  -9.060
  314   2HB   PRO  41          1HB       PRO  41   1.070  -7.961  -8.988
  315   1HG   PRO  41          2HG       PRO  41  -1.126  -9.857  -8.338
  316   2HG   PRO  41          1HG       PRO  41  -0.728  -8.300  -7.605
  317   1HD   PRO  41          2HD       PRO  41  -2.753  -8.720  -9.439
  318   2HD   PRO  41          1HD       PRO  41  -2.007  -7.149  -9.086
  319    H    ARG  42           H        ARG  42  -1.768 -10.051 -11.843
  320    HA   ARG  42           HA       ARG  42  -0.370 -12.587 -12.023
  321   1HB   ARG  42          2HB       ARG  42  -3.134 -11.675 -12.220
  322   2HB   ARG  42          1HB       ARG  42  -2.724 -12.864 -13.449
  323   1HG   ARG  42          2HG       ARG  42  -3.436 -14.226 -11.762
  324   2HG   ARG  42          1HG       ARG  42  -1.705 -14.161 -11.419
  325   1HD   ARG  42          2HD       ARG  42  -3.128 -13.852  -9.413
  326   2HD   ARG  42          1HD       ARG  42  -2.044 -12.496  -9.729
  327    HE   ARG  42           HE       ARG  42  -3.916 -11.225 -10.505
  328   1HH1  ARG  42          2HH1      ARG  42  -4.740 -14.296  -9.020
  329   2HH1  ARG  42          1HH1      ARG  42  -6.385 -13.839  -8.685
  330   1HH2  ARG  42          2HH2      ARG  42  -6.045 -10.610 -10.068
  331   2HH2  ARG  42          1HH2      ARG  42  -7.136 -11.713  -9.274
  332    H    LEU  43           H        LEU  43  -0.471  -9.834 -13.875
  333    HA   LEU  43           HA       LEU  43  -0.329 -11.224 -16.424
  334   1HB   LEU  43          2HB       LEU  43  -0.230  -8.289 -15.754
  335   2HB   LEU  43          1HB       LEU  43  -0.174  -8.942 -17.380
  336    HG   LEU  43           HG       LEU  43  -2.478  -9.423 -15.496
  337   1HD1  LEU  43          1HD1      LEU  43  -2.597  -7.481 -17.753
  338   2HD1  LEU  43          2HD1      LEU  43  -3.593  -7.588 -16.300
  339   3HD1  LEU  43          3HD1      LEU  43  -1.944  -6.973 -16.194
  340   1HD2  LEU  43          1HD2      LEU  43  -3.446 -10.564 -17.164
  341   2HD2  LEU  43          2HD2      LEU  43  -2.840  -9.461 -18.403
  342   3HD2  LEU  43          3HD2      LEU  43  -1.798 -10.732 -17.771
  343    H    ALA  44           H        ALA  44   1.626  -8.383 -16.012
  344    HA   ALA  44           HA       ALA  44   3.942 -10.024 -16.732
  345   1HB   ALA  44          1HB       ALA  44   3.027  -7.833 -17.942
  346   2HB   ALA  44          2HB       ALA  44   4.120  -7.069 -16.788
  347   3HB   ALA  44          3HB       ALA  44   4.735  -8.266 -17.927
  348    H    PHE  45           H        PHE  45   2.708  -9.095 -13.948
  349    HA   PHE  45           HA       PHE  45   5.174  -8.004 -12.804
  350   1HB   PHE  45          2HB       PHE  45   2.407  -8.170 -11.600
  351   2HB   PHE  45          1HB       PHE  45   3.799  -7.384 -10.867
  352    HD1  PHE  45           1HD      PHE  45   4.976  -5.878 -13.023
  353    HD2  PHE  45           2HD      PHE  45   0.872  -6.548 -12.128
  354    HE1  PHE  45           1HE      PHE  45   4.387  -3.780 -14.161
  355    HE2  PHE  45           2HE      PHE  45   0.277  -4.454 -13.260
  356    HZ   PHE  45           HZ       PHE  45   2.035  -3.064 -14.281
  357    H    THR  46           H        THR  46   3.874 -10.952 -13.288
  358    HA   THR  46           HA       THR  46   4.422 -12.075 -10.669
  359    HB   THR  46           HB       THR  46   4.019 -13.978 -12.850
  360    HG1  THR  46           1HG      THR  46   2.033 -12.000 -12.300
  361   1HG2  THR  46          1HG2      THR  46   3.593 -14.958 -10.841
  362   2HG2  THR  46          2HG2      THR  46   1.968 -14.349 -11.166
  363   3HG2  THR  46          3HG2      THR  46   3.049 -13.449 -10.102
  364    H    VAL  47           H        VAL  47   6.083 -13.468 -10.175
  365    HA   VAL  47           HA       VAL  47   8.539 -13.097 -11.543
  366    HB   VAL  47           HB       VAL  47   7.972 -15.268  -9.523
  367   1HG1  VAL  47          1HG1      VAL  47  10.441 -13.843 -10.469
  368   2HG1  VAL  47          2HG1      VAL  47  10.391 -14.698  -8.926
  369   3HG1  VAL  47          3HG1      VAL  47  10.110 -15.577 -10.429
  370   1HG2  VAL  47          1HG2      VAL  47   9.153 -12.953  -8.335
  371   2HG2  VAL  47          2HG2      VAL  47   7.650 -12.494  -9.140
  372   3HG2  VAL  47          3HG2      VAL  47   7.645 -13.768  -7.920
  373    H    ASP  48           H        ASP  48   8.520 -13.817 -13.584
  374    HA   ASP  48           HA       ASP  48   8.577 -16.704 -13.965
  375   1HB   ASP  48          2HB       ASP  48   6.449 -16.610 -14.773
  376   2HB   ASP  48          1HB       ASP  48   6.530 -14.881 -15.076
  377    H    ASP  49           H        ASP  49   8.708 -13.640 -15.794
  378    HA   ASP  49           HA       ASP  49  11.310 -14.435 -16.885
  379   1HB   ASP  49          2HB       ASP  49   9.329 -13.276 -18.214
  380   2HB   ASP  49          1HB       ASP  49   9.986 -11.810 -17.496
  381    H    ASN  50           H        ASN  50  12.933 -12.526 -16.886
  382    HA   ASN  50           HA       ASN  50  13.111 -11.559 -14.145
  383   1HB   ASN  50          2HB       ASN  50  15.049 -12.524 -15.664
  384   2HB   ASN  50          1HB       ASN  50  15.137 -10.858 -16.229
  385   1HD2  ASN  50          1HD2      ASN  50  17.189 -10.632 -15.340
  386   2HD2  ASN  50          2HD2      ASN  50  17.426 -10.439 -13.633
  387    HA   PRO  51           HA       PRO  51  10.854  -7.875 -15.190
  388   1HB   PRO  51          2HB       PRO  51  12.396  -6.883 -12.828
  389   2HB   PRO  51          1HB       PRO  51  10.667  -6.759 -13.178
  390   1HG   PRO  51          2HG       PRO  51  11.570  -8.532 -11.413
  391   2HG   PRO  51          1HG       PRO  51  10.241  -8.939 -12.514
  392   1HD   PRO  51          2HD       PRO  51  13.095  -9.791 -12.590
  393   2HD   PRO  51          1HD       PRO  51  11.637 -10.672 -13.088
  394    H    THR  52           H        THR  52  11.471  -6.628 -16.825
  395    HA   THR  52           HA       THR  52  14.238  -5.944 -17.222
  396    HB   THR  52           HB       THR  52  12.930  -4.543 -19.147
  397    HG1  THR  52           1HG      THR  52  10.904  -5.145 -19.167
  398   1HG2  THR  52          1HG2      THR  52  13.616  -6.225 -20.603
  399   2HG2  THR  52          2HG2      THR  52  13.280  -7.508 -19.439
  400   3HG2  THR  52          3HG2      THR  52  14.676  -6.453 -19.213
  401    H    LYS  53           H        LYS  53  13.278  -4.821 -14.876
  402    HA   LYS  53           HA       LYS  53  13.677  -1.978 -15.468
  403   1HB   LYS  53          2HB       LYS  53  11.237  -2.822 -14.700
  404   2HB   LYS  53          1HB       LYS  53  11.986  -2.677 -13.115
  405   1HG   LYS  53          2HG       LYS  53  12.696  -0.313 -14.049
  406   2HG   LYS  53          1HG       LYS  53  11.292  -0.568 -15.087
  407   1HD   LYS  53          2HD       LYS  53  11.123  -0.970 -12.121
  408   2HD   LYS  53          1HD       LYS  53  10.950   0.636 -12.833
  409   1HE   LYS  53          2HE       LYS  53   9.238  -0.628 -14.390
  410   2HE   LYS  53          1HE       LYS  53   9.168  -1.738 -13.022
  411   1HZ   LYS  53          1HZ       LYS  53   8.719   0.265 -11.610
  412   2HZ   LYS  53          2HZ       LYS  53   7.483  -0.146 -12.688
  413   3HZ   LYS  53          3HZ       LYS  53   8.515   1.157 -13.040
  414    HA   PRO  54           HA       PRO  54  16.989  -3.914 -12.878
  415   1HB   PRO  54          2HB       PRO  54  18.252  -1.342 -13.718
  416   2HB   PRO  54          1HB       PRO  54  18.928  -2.977 -13.707
  417   1HG   PRO  54          2HG       PRO  54  18.163  -1.866 -15.991
  418   2HG   PRO  54          1HG       PRO  54  17.840  -3.581 -15.672
  419   1HD   PRO  54          2HD       PRO  54  15.978  -1.248 -15.576
  420   2HD   PRO  54          1HD       PRO  54  15.682  -2.906 -16.133
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1 -23.617  -9.851 -10.813
    2   2H    GLY   1          2H        GLY   1 -24.545  -8.572 -11.432
    3   3H    GLY   1          3H        GLY   1 -23.210  -8.247 -10.435
    4   1HA   GLY   1          2HA       GLY   1 -22.177  -7.876 -12.387
    5   2HA   GLY   1          1HA       GLY   1 -21.986  -9.624 -12.330
    6    H    SER   2           H        SER   2 -22.668  -7.279 -14.386
    7    HA   SER   2           HA       SER   2 -24.570  -8.920 -15.917
    8   1HB   SER   2          2HB       SER   2 -25.029  -6.221 -16.611
    9   2HB   SER   2          1HB       SER   2 -26.118  -7.308 -15.746
   10    HG   SER   2           HG       SER   2 -25.778  -5.566 -14.416
   11    H    ALA   3           H        ALA   3 -22.581  -5.963 -16.296
   12    HA   ALA   3           HA       ALA   3 -22.077  -6.521 -19.059
   13   1HB   ALA   3          1HB       ALA   3 -20.312  -4.619 -17.652
   14   2HB   ALA   3          2HB       ALA   3 -21.221  -4.431 -19.152
   15   3HB   ALA   3          3HB       ALA   3 -22.039  -4.263 -17.599
   16    H    LYS   4           H        LYS   4 -20.584  -7.806 -19.890
   17    HA   LYS   4           HA       LYS   4 -18.676  -9.113 -18.169
   18   1HB   LYS   4          2HB       LYS   4 -19.847  -9.566 -20.787
   19   2HB   LYS   4          1HB       LYS   4 -18.109  -9.829 -20.807
   20   1HG   LYS   4          2HG       LYS   4 -19.084 -11.916 -20.332
   21   2HG   LYS   4          1HG       LYS   4 -18.432 -11.327 -18.803
   22   1HD   LYS   4          2HD       LYS   4 -20.538 -12.128 -18.219
   23   2HD   LYS   4          1HD       LYS   4 -20.800 -10.394 -18.400
   24   1HE   LYS   4          2HE       LYS   4 -21.226 -11.402 -20.942
   25   2HE   LYS   4          1HE       LYS   4 -21.940 -12.612 -19.882
   26   1HZ   LYS   4          1HZ       LYS   4 -23.048 -10.644 -18.746
   27   2HZ   LYS   4          2HZ       LYS   4 -23.646 -11.101 -20.267
   28   3HZ   LYS   4          3HZ       LYS   4 -22.626  -9.753 -20.125
   29    H    ARG   5           H        ARG   5 -16.548  -8.779 -18.026
   30    HA   ARG   5           HA       ARG   5 -15.223  -7.033 -19.977
   31   1HB   ARG   5          2HB       ARG   5 -15.865  -6.182 -17.419
   32   2HB   ARG   5          1HB       ARG   5 -14.206  -6.733 -17.246
   33   1HG   ARG   5          2HG       ARG   5 -14.465  -5.149 -19.619
   34   2HG   ARG   5          1HG       ARG   5 -15.104  -4.274 -18.229
   35   1HD   ARG   5          2HD       ARG   5 -12.834  -3.710 -18.285
   36   2HD   ARG   5          1HD       ARG   5 -12.949  -4.949 -17.035
   37    HE   ARG   5           HE       ARG   5 -12.201  -5.725 -19.760
   38   1HH1  ARG   5          2HH1      ARG   5 -11.259  -5.246 -16.412
   39   2HH1  ARG   5          1HH1      ARG   5  -9.864  -6.281 -16.538
   40   1HH2  ARG   5          2HH2      ARG   5 -10.359  -7.033 -19.930
   41   2HH2  ARG   5          1HH2      ARG   5  -9.339  -7.274 -18.539
   42    H    LYS   6           H        LYS   6 -14.827  -9.393 -20.587
   43    HA   LYS   6           HA       LYS   6 -13.627 -11.327 -20.618
   44   1HB   LYS   6          2HB       LYS   6 -11.694  -9.145 -20.129
   45   2HB   LYS   6          1HB       LYS   6 -11.105 -10.759 -19.746
   46   1HG   LYS   6          2HG       LYS   6 -12.024  -9.680 -22.389
   47   2HG   LYS   6          1HG       LYS   6 -10.468 -10.397 -21.965
   48   1HD   LYS   6          2HD       LYS   6 -11.223 -12.353 -22.710
   49   2HD   LYS   6          1HD       LYS   6 -12.407 -12.355 -21.402
   50   1HE   LYS   6          2HE       LYS   6 -13.900 -12.446 -23.084
   51   2HE   LYS   6          1HE       LYS   6 -13.620 -10.708 -23.168
   52   1HZ   LYS   6          1HZ       LYS   6 -12.505 -12.838 -24.891
   53   2HZ   LYS   6          2HZ       LYS   6 -11.782 -11.304 -24.800
   54   3HZ   LYS   6          3HZ       LYS   6 -13.381 -11.454 -25.345
   55    H    ARG   7           H        ARG   7 -15.179 -11.592 -18.654
   56    HA   ARG   7           HA       ARG   7 -13.876 -11.518 -16.074
   57   1HB   ARG   7          2HB       ARG   7 -16.639 -11.673 -17.057
   58   2HB   ARG   7          1HB       ARG   7 -16.335 -12.601 -15.596
   59   1HG   ARG   7          2HG       ARG   7 -15.092 -10.170 -15.125
   60   2HG   ARG   7          1HG       ARG   7 -16.588  -9.745 -15.957
   61   1HD   ARG   7          2HD       ARG   7 -16.482 -11.617 -13.600
   62   2HD   ARG   7          1HD       ARG   7 -16.727  -9.877 -13.440
   63    HE   ARG   7           HE       ARG   7 -18.633 -11.839 -14.359
   64   1HH1  ARG   7          2HH1      ARG   7 -17.772  -8.435 -14.266
   65   2HH1  ARG   7          1HH1      ARG   7 -19.386  -7.896 -14.639
   66   1HH2  ARG   7          2HH2      ARG   7 -20.744 -11.129 -14.850
   67   2HH2  ARG   7          1HH2      ARG   7 -21.062  -9.424 -14.990
   68    H    VAL   8           H        VAL   8 -12.354 -13.233 -17.051
   69    HA   VAL   8           HA       VAL   8 -13.293 -15.937 -16.647
   70    HB   VAL   8           HB       VAL   8 -10.957 -16.609 -16.894
   71   1HG1  VAL   8          1HG1      VAL   8 -11.688 -16.534 -19.024
   72   2HG1  VAL   8          2HG1      VAL   8 -12.318 -14.894 -18.859
   73   3HG1  VAL   8          3HG1      VAL   8 -10.598 -15.153 -19.151
   74   1HG2  VAL   8          1HG2      VAL   8  -9.466 -15.163 -16.023
   75   2HG2  VAL   8          2HG2      VAL   8  -9.487 -14.452 -17.639
   76   3HG2  VAL   8          3HG2      VAL   8 -10.479 -13.759 -16.355
   77    H    ALA   9           H        ALA   9 -12.138 -13.329 -14.814
   78    HA   ALA   9           HA       ALA   9 -12.025 -12.947 -12.600
   79   1HB   ALA   9          1HB       ALA   9 -13.580 -15.478 -12.661
   80   2HB   ALA   9          2HB       ALA   9 -12.956 -14.910 -11.112
   81   3HB   ALA   9          3HB       ALA   9 -14.029 -13.882 -12.059
   82    H    GLY  10           H        GLY  10  -9.669 -13.555 -13.625
   83   1HA   GLY  10          1HA       GLY  10  -8.348 -15.504 -11.933
   84   2HA   GLY  10          2HA       GLY  10  -7.566 -14.379 -13.041
   85    H    ASP  11           H        ASP  11  -8.977 -14.765  -9.861
   86    HA   ASP  11           HA       ASP  11  -8.665 -12.011  -9.150
   87   1HB   ASP  11          2HB       ASP  11 -10.343 -13.897  -8.278
   88   2HB   ASP  11          1HB       ASP  11  -9.088 -14.082  -7.058
   89    H    LEU  12           H        LEU  12  -7.773 -12.035  -6.611
   90    HA   LEU  12           HA       LEU  12  -4.925 -12.159  -7.137
   91   1HB   LEU  12          2HB       LEU  12  -6.260 -11.159  -4.632
   92   2HB   LEU  12          1HB       LEU  12  -4.653 -10.787  -5.222
   93    HG   LEU  12           HG       LEU  12  -7.159  -9.944  -6.666
   94   1HD1  LEU  12          1HD1      LEU  12  -6.575  -7.685  -5.667
   95   2HD1  LEU  12          2HD1      LEU  12  -7.308  -8.865  -4.581
   96   3HD1  LEU  12          3HD1      LEU  12  -5.571  -8.574  -4.521
   97   1HD2  LEU  12          1HD2      LEU  12  -5.482  -8.227  -7.543
   98   2HD2  LEU  12          2HD2      LEU  12  -4.233  -9.299  -6.899
   99   3HD2  LEU  12          3HD2      LEU  12  -5.338  -9.882  -8.146
  100    HA   PRO  13           HA       PRO  13  -3.903 -15.694  -4.582
  101   1HB   PRO  13          2HB       PRO  13  -1.636 -13.952  -3.755
  102   2HB   PRO  13          1HB       PRO  13  -1.605 -15.591  -4.410
  103   1HG   PRO  13          2HG       PRO  13  -0.887 -13.536  -5.926
  104   2HG   PRO  13          1HG       PRO  13  -1.861 -14.857  -6.603
  105   1HD   PRO  13          2HD       PRO  13  -2.731 -12.126  -5.723
  106   2HD   PRO  13          1HD       PRO  13  -3.226 -13.062  -7.150
  107    H    TYR  14           H        TYR  14  -3.082 -15.959  -2.203
  108    HA   TYR  14           HA       TYR  14  -5.172 -14.939  -0.607
  109   1HB   TYR  14          2HB       TYR  14  -4.540 -16.987   0.169
  110   2HB   TYR  14          1HB       TYR  14  -2.845 -16.735  -0.231
  111    HD1  TYR  14           1HD      TYR  14  -5.460 -16.098   2.290
  112    HD2  TYR  14           2HD      TYR  14  -1.311 -15.874   1.376
  113    HE1  TYR  14           1HE      TYR  14  -4.967 -15.662   4.660
  114    HE2  TYR  14           2HE      TYR  14  -0.810 -15.436   3.741
  115    HH   TYR  14           HH       TYR  14  -1.762 -14.766   5.738
  116    H    GLY  15           H        GLY  15  -1.741 -14.114  -0.853
  117   1HA   GLY  15          1HA       GLY  15  -1.687 -12.374   1.383
  118   2HA   GLY  15          2HA       GLY  15  -0.521 -12.410   0.065
  119    H    TRP  16           H        TRP  16  -2.695 -11.911  -1.910
  120    HA   TRP  16           HA       TRP  16  -2.366  -9.054  -1.836
  121   1HB   TRP  16          2HB       TRP  16  -3.513 -10.929  -3.892
  122   2HB   TRP  16          1HB       TRP  16  -3.407  -9.183  -4.115
  123    HD1  TRP  16           HD       TRP  16  -1.217 -12.310  -3.924
  124    HE1  TRP  16           1HE      TRP  16   1.122 -11.769  -4.809
  125    HE3  TRP  16           3HE      TRP  16  -1.781  -7.274  -4.391
  126    HZ2  TRP  16           2HZ      TRP  16   2.546  -9.408  -5.617
  127    HZ3  TRP  16           3HZ      TRP  16   0.100  -5.939  -5.213
  128    HH2  TRP  16           HH       TRP  16   2.228  -6.983  -5.814
  129    H    GLU  17           H        GLU  17  -3.778  -7.574  -1.370
  130    HA   GLU  17           HA       GLU  17  -6.623  -8.302  -1.140
  131   1HB   GLU  17          2HB       GLU  17  -4.837  -6.867   0.626
  132   2HB   GLU  17          1HB       GLU  17  -6.191  -5.846   0.160
  133   1HG   GLU  17          2HG       GLU  17  -6.880  -8.592   0.972
  134   2HG   GLU  17          1HG       GLU  17  -6.236  -7.545   2.239
  135    H    GLN  18           H        GLN  18  -8.121  -7.041  -2.179
  136    HA   GLN  18           HA       GLN  18  -7.100  -5.150  -4.145
  137   1HB   GLN  18          2HB       GLN  18  -8.705  -6.846  -4.888
  138   2HB   GLN  18          1HB       GLN  18  -9.877  -6.272  -3.710
  139   1HG   GLN  18          2HG       GLN  18 -10.250  -4.281  -4.881
  140   2HG   GLN  18          1HG       GLN  18  -8.795  -4.483  -5.856
  141   1HE2  GLN  18          1HE2      GLN  18  -8.903  -5.607  -7.716
  142   2HE2  GLN  18          2HE2      GLN  18 -10.332  -6.366  -8.326
  143    H    GLU  19           H        GLU  19  -6.724  -3.192  -3.305
  144    HA   GLU  19           HA       GLU  19  -8.671  -2.120  -1.373
  145   1HB   GLU  19          2HB       GLU  19  -5.884  -1.068  -1.744
  146   2HB   GLU  19          1HB       GLU  19  -6.948  -0.888  -0.360
  147   1HG   GLU  19          2HG       GLU  19  -6.412  -3.662  -0.825
  148   2HG   GLU  19          1HG       GLU  19  -4.905  -2.749  -0.744
  149    H    THR  20           H        THR  20  -8.771   0.293  -1.364
  150    HA   THR  20           HA       THR  20  -8.567   1.380  -4.095
  151    HB   THR  20           HB       THR  20 -10.649   2.311  -2.134
  152    HG1  THR  20           1HG      THR  20 -10.541  -0.097  -3.325
  153   1HG2  THR  20          1HG2      THR  20 -11.308   3.637  -3.812
  154   2HG2  THR  20          2HG2      THR  20 -11.245   2.313  -4.977
  155   3HG2  THR  20          3HG2      THR  20  -9.781   3.221  -4.594
  156    H    ASP  21           H        ASP  21  -7.589   3.305  -4.310
  157    HA   ASP  21           HA       ASP  21  -6.290   4.399  -1.978
  158   1HB   ASP  21          2HB       ASP  21  -4.767   5.271  -3.401
  159   2HB   ASP  21          1HB       ASP  21  -5.466   4.137  -4.545
  160    H    GLU  22           H        GLU  22  -6.129   6.984  -2.287
  161    HA   GLU  22           HA       GLU  22  -8.669   7.823  -1.271
  162   1HB   GLU  22          2HB       GLU  22  -7.290  10.145  -1.451
  163   2HB   GLU  22          1HB       GLU  22  -7.153   9.018  -0.111
  164   1HG   GLU  22          2HG       GLU  22  -5.234   7.958  -1.358
  165   2HG   GLU  22          1HG       GLU  22  -5.300   9.344  -2.448
  166    H    ASN  23           H        ASN  23  -7.253   7.822  -4.371
  167    HA   ASN  23           HA       ASN  23  -8.925   9.975  -5.401
  168   1HB   ASN  23          2HB       ASN  23  -6.970   8.079  -6.711
  169   2HB   ASN  23          1HB       ASN  23  -7.955   9.216  -7.623
  170   1HD2  ASN  23          1HD2      ASN  23  -5.332   8.847  -5.389
  171   2HD2  ASN  23          2HD2      ASN  23  -4.706  10.455  -5.559
  172    H    GLY  24           H        GLY  24  -9.254   6.732  -4.684
  173   1HA   GLY  24          1HA       GLY  24 -11.176   5.435  -4.955
  174   2HA   GLY  24          2HA       GLY  24 -11.734   6.553  -6.194
  175    H    GLN  25           H        GLN  25  -8.501   5.568  -6.516
  176    HA   GLN  25           HA       GLN  25  -9.176   3.858  -8.749
  177   1HB   GLN  25          2HB       GLN  25  -6.794   5.385  -7.886
  178   2HB   GLN  25          1HB       GLN  25  -6.474   3.869  -8.717
  179   1HG   GLN  25          2HG       GLN  25  -8.457   5.656  -9.969
  180   2HG   GLN  25          1HG       GLN  25  -6.782   6.206  -9.970
  181   1HE2  GLN  25          1HE2      GLN  25  -5.647   5.642 -11.647
  182   2HE2  GLN  25          2HE2      GLN  25  -5.903   4.240 -12.643
  183    H    VAL  26           H        VAL  26  -8.528   1.674  -8.867
  184    HA   VAL  26           HA       VAL  26  -8.247   0.472  -6.241
  185    HB   VAL  26           HB       VAL  26  -9.817  -0.343  -8.190
  186   1HG1  VAL  26          1HG1      VAL  26  -8.489  -0.944  -9.957
  187   2HG1  VAL  26          2HG1      VAL  26  -7.160  -1.456  -8.918
  188   3HG1  VAL  26          3HG1      VAL  26  -8.579  -2.487  -9.108
  189   1HG2  VAL  26          1HG2      VAL  26  -8.519  -2.612  -6.818
  190   2HG2  VAL  26          2HG2      VAL  26  -9.126  -1.306  -5.797
  191   3HG2  VAL  26          3HG2      VAL  26 -10.221  -2.150  -6.895
  192    H    PHE  27           H        PHE  27  -6.732  -1.146  -5.802
  193    HA   PHE  27           HA       PHE  27  -4.503  -1.629  -7.509
  194   1HB   PHE  27          2HB       PHE  27  -2.753  -0.671  -6.113
  195   2HB   PHE  27          1HB       PHE  27  -3.860   0.601  -6.612
  196    HD1  PHE  27           1HD      PHE  27  -2.474  -1.253  -3.834
  197    HD2  PHE  27           2HD      PHE  27  -5.444   1.564  -4.989
  198    HE1  PHE  27           1HE      PHE  27  -2.786  -0.628  -1.483
  199    HE2  PHE  27           2HE      PHE  27  -5.761   2.210  -2.640
  200    HZ   PHE  27           HZ       PHE  27  -4.451   1.104  -0.883
  201    H    PHE  28           H        PHE  28  -2.965  -3.107  -6.467
  202    HA   PHE  28           HA       PHE  28  -4.390  -4.760  -4.489
  203   1HB   PHE  28          2HB       PHE  28  -2.452  -5.816  -6.538
  204   2HB   PHE  28          1HB       PHE  28  -3.652  -6.706  -5.609
  205    HD1  PHE  28           1HD      PHE  28  -6.148  -5.918  -6.019
  206    HD2  PHE  28           2HD      PHE  28  -2.926  -5.299  -8.725
  207    HE1  PHE  28           1HE      PHE  28  -7.746  -5.693  -7.861
  208    HE2  PHE  28           2HE      PHE  28  -4.525  -5.056 -10.572
  209    HZ   PHE  28           HZ       PHE  28  -6.941  -5.253 -10.145
  210    H    VAL  29           H        VAL  29  -3.294  -5.398  -2.715
  211    HA   VAL  29           HA       VAL  29  -0.400  -4.914  -2.668
  212    HB   VAL  29           HB       VAL  29  -0.805  -3.148  -1.351
  213   1HG1  VAL  29          1HG1      VAL  29  -3.078  -2.871  -1.724
  214   2HG1  VAL  29          2HG1      VAL  29  -3.497  -4.346  -0.848
  215   3HG1  VAL  29          3HG1      VAL  29  -2.932  -2.926   0.033
  216   1HG2  VAL  29          1HG2      VAL  29  -1.693  -4.693   0.987
  217   2HG2  VAL  29          2HG2      VAL  29  -0.219  -5.278   0.210
  218   3HG2  VAL  29          3HG2      VAL  29  -0.309  -3.615   0.793
  219    H    ASP  30           H        ASP  30   0.663  -6.673  -2.182
  220    HA   ASP  30           HA       ASP  30  -0.543  -8.904  -0.828
  221   1HB   ASP  30          2HB       ASP  30   1.137  -9.600  -2.298
  222   2HB   ASP  30          1HB       ASP  30   2.212  -8.275  -1.852
  223    H    HIS  31           H        HIS  31  -0.452  -9.363   1.311
  224    HA   HIS  31           HA       HIS  31   0.471  -7.134   2.960
  225   1HB   HIS  31          2HB       HIS  31  -1.601  -9.267   3.317
  226   2HB   HIS  31          1HB       HIS  31  -0.998  -8.366   4.704
  227    HD1  HIS  31           1HD      HIS  31  -1.590  -5.829   4.834
  228    HD2  HIS  31           2HD      HIS  31  -3.251  -7.818   1.578
  229    HE1  HIS  31           1HE      HIS  31  -3.291  -4.250   3.862
  230    HE2  HIS  31           2HE      HIS  31  -4.276  -5.456   1.892
  231    H    ILE  32           H        ILE  32   1.645 -10.054   2.002
  232    HA   ILE  32           HA       ILE  32   2.852 -10.731   4.570
  233    HB   ILE  32           HB       ILE  32   3.373 -12.078   1.925
  234   1HG1  ILE  32          1HG1      ILE  32   1.418 -13.193   3.883
  235   2HG1  ILE  32          2HG1      ILE  32   0.885 -11.835   2.863
  236   1HG2  ILE  32          1HG2      ILE  32   4.323 -12.439   4.591
  237   2HG2  ILE  32          2HG2      ILE  32   3.380 -13.852   4.122
  238   3HG2  ILE  32          3HG2      ILE  32   4.746 -13.337   3.133
  239   1HD1  ILE  32          1HD1      ILE  32   2.016 -13.460   1.013
  240   2HD1  ILE  32          2HD1      ILE  32   1.392 -14.645   2.163
  241   3HD1  ILE  32          3HD1      ILE  32   0.303 -13.462   1.435
  242    H    ASN  33           H        ASN  33   4.000  -9.992   1.260
  243    HA   ASN  33           HA       ASN  33   6.618  -9.287   2.384
  244   1HB   ASN  33          2HB       ASN  33   5.835  -9.342  -0.538
  245   2HB   ASN  33          1HB       ASN  33   7.455  -9.344   0.136
  246   1HD2  ASN  33          1HD2      ASN  33   4.687 -11.205  -0.623
  247   2HD2  ASN  33          2HD2      ASN  33   5.399 -12.752  -0.307
  248    H    LYS  34           H        LYS  34   3.733  -7.880   1.355
  249    HA   LYS  34           HA       LYS  34   2.971  -5.758   1.414
  250   1HB   LYS  34          2HB       LYS  34   5.490  -5.549   2.878
  251   2HB   LYS  34          1HB       LYS  34   5.010  -4.045   2.100
  252   1HG   LYS  34          2HG       LYS  34   3.415  -5.663   4.071
  253   2HG   LYS  34          1HG       LYS  34   4.143  -4.077   4.329
  254   1HD   LYS  34          2HD       LYS  34   2.610  -3.597   2.141
  255   2HD   LYS  34          1HD       LYS  34   1.636  -4.811   2.976
  256   1HE   LYS  34          2HE       LYS  34   1.381  -3.481   4.868
  257   2HE   LYS  34          1HE       LYS  34   2.760  -2.463   4.452
  258   1HZ   LYS  34          1HZ       LYS  34   1.117  -1.080   3.807
  259   2HZ   LYS  34          2HZ       LYS  34   0.002  -2.324   3.524
  260   3HZ   LYS  34          3HZ       LYS  34   1.204  -1.982   2.374
  261    H    ARG  35           H        ARG  35   3.017  -6.247  -0.950
  262    HA   ARG  35           HA       ARG  35   4.574  -4.116  -2.266
  263   1HB   ARG  35          2HB       ARG  35   3.544  -6.201  -4.042
  264   2HB   ARG  35          1HB       ARG  35   5.117  -5.426  -4.015
  265   1HG   ARG  35          2HG       ARG  35   5.574  -6.913  -1.963
  266   2HG   ARG  35          1HG       ARG  35   4.186  -7.848  -2.529
  267   1HD   ARG  35          2HD       ARG  35   6.104  -8.871  -3.469
  268   2HD   ARG  35          1HD       ARG  35   5.337  -7.970  -4.773
  269    HE   ARG  35           HE       ARG  35   7.553  -6.745  -3.294
  270   1HH1  ARG  35          2HH1      ARG  35   6.331  -8.133  -6.278
  271   2HH1  ARG  35          1HH1      ARG  35   7.629  -7.486  -7.244
  272   1HH2  ARG  35          2HH2      ARG  35   9.254  -5.915  -4.560
  273   2HH2  ARG  35          1HH2      ARG  35   9.283  -6.235  -6.275
  274    H    THR  36           H        THR  36   3.332  -2.506  -2.880
  275    HA   THR  36           HA       THR  36   0.468  -2.942  -3.395
  276    HB   THR  36           HB       THR  36   1.019  -0.206  -3.462
  277    HG1  THR  36           1HG      THR  36   2.411   0.195  -1.819
  278   1HG2  THR  36          1HG2      THR  36  -0.405  -0.086  -1.619
  279   2HG2  THR  36          2HG2      THR  36   0.149  -1.634  -0.978
  280   3HG2  THR  36          3HG2      THR  36  -0.881  -1.590  -2.411
  281    H    THR  37           H        THR  37  -0.009  -3.178  -5.501
  282    HA   THR  37           HA       THR  37   1.383  -1.469  -7.450
  283    HB   THR  37           HB       THR  37   2.332  -3.491  -8.048
  284    HG1  THR  37           1HG      THR  37   0.133  -4.103  -9.607
  285   1HG2  THR  37          1HG2      THR  37   0.929  -4.800  -6.410
  286   2HG2  THR  37          2HG2      THR  37   1.347  -5.645  -7.900
  287   3HG2  THR  37          3HG2      THR  37  -0.269  -4.960  -7.695
  288    H    TYR  38           H        TYR  38   0.132  -0.435  -8.918
  289    HA   TYR  38           HA       TYR  38  -2.727  -0.516  -8.618
  290   1HB   TYR  38          2HB       TYR  38  -0.786   1.078 -10.223
  291   2HB   TYR  38          1HB       TYR  38  -2.453   1.011 -10.783
  292    HD1  TYR  38           1HD      TYR  38  -3.823   2.726 -10.091
  293    HD2  TYR  38           2HD      TYR  38  -0.619   1.531  -7.566
  294    HE1  TYR  38           1HE      TYR  38  -4.412   4.512  -8.511
  295    HE2  TYR  38           2HE      TYR  38  -1.197   3.315  -5.978
  296    HH   TYR  38           HH       TYR  38  -3.891   5.554  -6.618
  297    H    LEU  39           H        LEU  39  -0.483  -2.271 -10.428
  298    HA   LEU  39           HA       LEU  39  -2.441  -2.917 -12.518
  299   1HB   LEU  39          2HB       LEU  39   0.175  -2.270 -12.781
  300   2HB   LEU  39          1HB       LEU  39   0.295  -4.017 -12.675
  301    HG   LEU  39           HG       LEU  39  -0.004  -2.718 -14.994
  302   1HD1  LEU  39          1HD1      LEU  39   0.475  -4.957 -15.141
  303   2HD1  LEU  39          2HD1      LEU  39  -0.877  -5.420 -14.107
  304   3HD1  LEU  39          3HD1      LEU  39  -1.173  -4.912 -15.768
  305   1HD2  LEU  39          1HD2      LEU  39  -2.187  -1.770 -14.376
  306   2HD2  LEU  39          2HD2      LEU  39  -2.299  -2.840 -15.774
  307   3HD2  LEU  39          3HD2      LEU  39  -2.827  -3.402 -14.187
  308    H    ASP  40           H        ASP  40  -2.694  -5.145 -13.129
  309    HA   ASP  40           HA       ASP  40  -3.226  -6.744 -10.823
  310   1HB   ASP  40          2HB       ASP  40  -4.833  -6.871 -12.537
  311   2HB   ASP  40          1HB       ASP  40  -3.617  -7.125 -13.780
  312    HA   PRO  41           HA       PRO  41   0.753  -8.765 -10.754
  313   1HB   PRO  41          2HB       PRO  41  -0.518 -10.513  -8.762
  314   2HB   PRO  41          1HB       PRO  41   0.857  -9.423  -8.581
  315   1HG   PRO  41          2HG       PRO  41  -1.526  -8.887  -7.461
  316   2HG   PRO  41          1HG       PRO  41  -0.473  -7.603  -8.086
  317   1HD   PRO  41          2HD       PRO  41  -2.893  -8.851  -9.337
  318   2HD   PRO  41          1HD       PRO  41  -2.410  -7.142  -9.279
  319    H    ARG  42           H        ARG  42  -2.245 -10.110 -11.668
  320    HA   ARG  42           HA       ARG  42  -1.113 -12.743 -12.195
  321   1HB   ARG  42          2HB       ARG  42  -3.749 -11.677 -11.830
  322   2HB   ARG  42          1HB       ARG  42  -3.668 -12.511 -13.376
  323   1HG   ARG  42          2HG       ARG  42  -4.297 -13.765 -11.143
  324   2HG   ARG  42          1HG       ARG  42  -3.374 -14.550 -12.423
  325   1HD   ARG  42          2HD       ARG  42  -1.518 -13.204 -10.777
  326   2HD   ARG  42          1HD       ARG  42  -2.628 -14.052  -9.704
  327    HE   ARG  42           HE       ARG  42  -2.049 -16.106 -10.864
  328   1HH1  ARG  42          2HH1      ARG  42   0.065 -13.350 -11.405
  329   2HH1  ARG  42          1HH1      ARG  42   1.405 -14.321 -11.908
  330   1HH2  ARG  42          2HH2      ARG  42  -0.265 -17.383 -11.471
  331   2HH2  ARG  42          1HH2      ARG  42   1.240 -16.623 -11.913
  332    H    LEU  43           H        LEU  43  -1.319  -9.757 -13.748
  333    HA   LEU  43           HA       LEU  43  -1.482 -10.808 -16.429
  334   1HB   LEU  43          2HB       LEU  43  -0.985  -8.064 -15.310
  335   2HB   LEU  43          1HB       LEU  43  -0.861  -8.398 -17.024
  336    HG   LEU  43           HG       LEU  43  -3.351  -8.905 -15.401
  337   1HD1  LEU  43          1HD1      LEU  43  -2.971  -6.618 -17.294
  338   2HD1  LEU  43          2HD1      LEU  43  -4.197  -6.844 -16.048
  339   3HD1  LEU  43          3HD1      LEU  43  -2.534  -6.477 -15.590
  340   1HD2  LEU  43          1HD2      LEU  43  -3.496 -10.227 -17.298
  341   2HD2  LEU  43          2HD2      LEU  43  -4.300  -8.739 -17.799
  342   3HD2  LEU  43          3HD2      LEU  43  -2.641  -9.057 -18.306
  343    H    ALA  44           H        ALA  44   0.977  -8.461 -15.509
  344    HA   ALA  44           HA       ALA  44   2.930 -10.158 -16.907
  345   1HB   ALA  44          1HB       ALA  44   3.583  -7.336 -16.413
  346   2HB   ALA  44          2HB       ALA  44   3.805  -8.322 -17.862
  347   3HB   ALA  44          3HB       ALA  44   2.222  -7.638 -17.494
  348    H    PHE  45           H        PHE  45   2.159  -9.911 -13.892
  349    HA   PHE  45           HA       PHE  45   4.795  -9.236 -12.821
  350   1HB   PHE  45          2HB       PHE  45   2.127  -9.724 -11.506
  351   2HB   PHE  45          1HB       PHE  45   3.622  -9.607 -10.582
  352    HD1  PHE  45           1HD      PHE  45   4.437  -7.526  -9.933
  353    HD2  PHE  45           2HD      PHE  45   1.540  -7.766 -13.036
  354    HE1  PHE  45           1HE      PHE  45   4.236  -5.071  -9.927
  355    HE2  PHE  45           2HE      PHE  45   1.332  -5.318 -13.042
  356    HZ   PHE  45           HZ       PHE  45   2.679  -3.966 -11.487
  357    H    THR  46           H        THR  46   4.122 -11.659 -14.403
  358    HA   THR  46           HA       THR  46   4.316 -13.936 -12.748
  359    HB   THR  46           HB       THR  46   5.592 -14.330 -15.303
  360    HG1  THR  46           1HG      THR  46   4.398 -13.129 -16.584
  361   1HG2  THR  46          1HG2      THR  46   3.657 -15.806 -15.673
  362   2HG2  THR  46          2HG2      THR  46   2.875 -15.132 -14.241
  363   3HG2  THR  46          3HG2      THR  46   4.369 -16.057 -14.079
  364    H    VAL  47           H        VAL  47   6.723 -12.018 -14.500
  365    HA   VAL  47           HA       VAL  47   8.847 -13.340 -12.954
  366    HB   VAL  47           HB       VAL  47  10.249 -12.040 -14.835
  367   1HG1  VAL  47          1HG1      VAL  47   9.149 -14.757 -14.621
  368   2HG1  VAL  47          2HG1      VAL  47   9.791 -14.314 -16.203
  369   3HG1  VAL  47          3HG1      VAL  47  10.820 -14.213 -14.772
  370   1HG2  VAL  47          1HG2      VAL  47   8.407 -12.958 -16.812
  371   2HG2  VAL  47          2HG2      VAL  47   7.599 -11.786 -15.770
  372   3HG2  VAL  47          3HG2      VAL  47   9.095 -11.349 -16.599
  373    H    ASP  48           H        ASP  48  10.233 -12.120 -11.767
  374    HA   ASP  48           HA       ASP  48   9.447  -9.468 -11.044
  375   1HB   ASP  48          2HB       ASP  48  10.419 -10.948  -9.377
  376   2HB   ASP  48          1HB       ASP  48  11.893 -11.104 -10.327
  377    H    ASP  49           H        ASP  49   9.574  -8.201 -12.820
  378    HA   ASP  49           HA       ASP  49  10.413  -6.877 -14.444
  379   1HB   ASP  49          2HB       ASP  49  11.790  -6.007 -12.554
  380   2HB   ASP  49          1HB       ASP  49  13.055  -7.150 -12.992
  381    H    ASN  50           H        ASN  50  13.644  -7.819 -14.545
  382    HA   ASN  50           HA       ASN  50  13.390 -10.125 -16.207
  383   1HB   ASN  50          2HB       ASN  50  13.019  -7.642 -17.495
  384   2HB   ASN  50          1HB       ASN  50  14.643  -8.174 -17.922
  385   1HD2  ASN  50          1HD2      ASN  50  11.298  -9.286 -17.746
  386   2HD2  ASN  50          2HD2      ASN  50  11.392 -10.335 -19.121
  387    HA   PRO  51           HA       PRO  51  17.566 -10.197 -14.611
  388   1HB   PRO  51          2HB       PRO  51  18.232 -12.647 -15.546
  389   2HB   PRO  51          1HB       PRO  51  17.186 -12.415 -14.140
  390   1HG   PRO  51          2HG       PRO  51  16.447 -13.052 -16.968
  391   2HG   PRO  51          1HG       PRO  51  15.772 -13.698 -15.463
  392   1HD   PRO  51          2HD       PRO  51  14.568 -11.742 -16.935
  393   2HD   PRO  51          1HD       PRO  51  14.369 -11.907 -15.180
  394    H    THR  52           H        THR  52  16.592 -10.288 -17.896
  395    HA   THR  52           HA       THR  52  19.250 -10.345 -19.007
  396    HB   THR  52           HB       THR  52  16.805  -9.420 -20.492
  397    HG1  THR  52           1HG      THR  52  17.565 -12.101 -19.837
  398   1HG2  THR  52          1HG2      THR  52  19.374 -10.812 -21.226
  399   2HG2  THR  52          2HG2      THR  52  18.765  -9.257 -21.798
  400   3HG2  THR  52          3HG2      THR  52  17.987 -10.754 -22.314
  401    H    LYS  53           H        LYS  53  19.947  -8.578 -17.561
  402    HA   LYS  53           HA       LYS  53  20.015  -6.092 -18.997
  403   1HB   LYS  53          2HB       LYS  53  18.166  -6.413 -16.790
  404   2HB   LYS  53          1HB       LYS  53  19.384  -5.205 -16.398
  405   1HG   LYS  53          2HG       LYS  53  18.838  -3.972 -18.420
  406   2HG   LYS  53          1HG       LYS  53  17.646  -5.197 -18.861
  407   1HD   LYS  53          2HD       LYS  53  17.389  -3.989 -16.175
  408   2HD   LYS  53          1HD       LYS  53  17.019  -2.949 -17.550
  409   1HE   LYS  53          2HE       LYS  53  15.431  -4.621 -18.378
  410   2HE   LYS  53          1HE       LYS  53  15.793  -5.650 -16.994
  411   1HZ   LYS  53          1HZ       LYS  53  13.942  -3.555 -17.161
  412   2HZ   LYS  53          2HZ       LYS  53  15.122  -3.116 -16.029
  413   3HZ   LYS  53          3HZ       LYS  53  14.267  -4.566 -15.838
  414    HA   PRO  54           HA       PRO  54  23.895  -6.078 -16.809
  415   1HB   PRO  54          2HB       PRO  54  24.710  -3.556 -17.222
  416   2HB   PRO  54          1HB       PRO  54  24.615  -4.732 -18.541
  417   1HG   PRO  54          2HG       PRO  54  22.748  -2.517 -17.833
  418   2HG   PRO  54          1HG       PRO  54  23.255  -3.088 -19.431
  419   1HD   PRO  54          2HD       PRO  54  20.864  -3.738 -18.191
  420   2HD   PRO  54          1HD       PRO  54  21.618  -4.669 -19.498