*HEADER    BIOSYNTHETIC PROTEIN                    03-APR-12   2LRJ              
*TITLE     NMR SOLUTION STRUCTURE OF STAPHYLOXANTHIN BIOSYNTHESIS PROTEIN        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STAPHYLOXANTHIN BIOSYNTHESIS PROTEIN, PUTATIVE;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 55-166;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 ORGANISM_TAXID: 93062;                                               
*SOURCE   4 STRAIN: SUBSP. AUREUS COL;                                           
*SOURCE   5 GENE: SACOL2295;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET 15B                                    
*KEYWDS    BIOSYNTHETIC PROTEIN                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.ZHANG, J.WINSOR, W.ANDERSON, I.RADHAKRISHNAN                        
*REVDAT   1   18-APR-12 2LRJ    0                                                


 ASSI {    2}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      3.900     3.900     2.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.63486E-03 ppm1      6.000 ppm2      1.898 CV     1
 ASSI {    3}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      5.800     5.800     0.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.12504E-03 ppm1      6.001 ppm2      2.496 CV     1
 ASSI {    4}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.800     1.800     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.58228E-03 ppm1      6.003 ppm2      7.416 CV     1
 ASSI {    5}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.700     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.32511E-02 ppm1      6.003 ppm2      4.301 CV     1
 ASSI {    6}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.29433E-02 ppm1      6.003 ppm2      3.759 CV     1
 OR {    6}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {    7}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.200     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.97470E-02 ppm1      6.003 ppm2      2.918 CV     1
 ASSI {    8}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      2.400     0.700     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.56688E-02 ppm1      6.003 ppm2      1.095 CV     1
 ASSI {   10}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      2.700     0.900     0.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.29562E-02 ppm1      6.003 ppm2      0.523 CV     1
 ASSI {   11}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.600     2.600     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.39950E-03 ppm1      6.003 ppm2      1.767 CV     1
 ASSI {   12}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB3 ))
      3.000     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.38347E-02 ppm1      6.004 ppm2      1.252 CV     1
 ASSI {   13}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      5.000     3.100     1.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.47901E-03 ppm1      6.004 ppm2      8.224 CV     1
 ASSI {   14}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.100     5.100     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.40399E-03 ppm1      6.004 ppm2      7.865 CV     1
 ASSI {   15}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      4.200     2.200     1.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.33024E-03 ppm1      6.005 ppm2      2.213 CV     1
 ASSI {   16}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG3 ))
      4.800     2.800     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.50274E-03 ppm1      6.005 ppm2      1.583 CV     1
 ASSI {   17}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.900     3.000     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.43220E-03 ppm1      6.006 ppm2      4.632 CV     1
 ASSI {   21}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.000     3.000     3.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.28151E-02 ppm1      6.041 ppm2      3.440 CV     1
 ASSI {   22}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      2.400     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.46426E-02 ppm1      6.041 ppm2     -0.190 CV     1
 ASSI {   23}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.21867E-02 ppm1      6.042 ppm2      5.328 CV     1
 ASSI {   24}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.93621E-02 ppm1      6.042 ppm2      5.008 CV     1
 ASSI {   26}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.500     2.500     1.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.39244E-03 ppm1      6.042 ppm2      1.686 CV     1
 ASSI {   27}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.27766E-02 ppm1      6.042 ppm2      1.064 CV     1
 ASSI {   28}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      3.400     1.400     1.400 peak    28 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      6.042 ppm2      0.594 CV     1
 ASSI {   29}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      6.043 ppm2      3.851 CV     1
 ASSI {   30}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      6.043 ppm2      2.514 CV     1
 ASSI {   31}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.52454E-03 ppm1      6.043 ppm2      4.591 CV     1
 ASSI {   37}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.40655E-02 ppm1      6.143 ppm2      4.387 CV     1
 ASSI {   38}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 9    and name HB3 ))
      3.900     1.900     1.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.11799E-02 ppm1      6.143 ppm2      2.449 CV     1
 ASSI {   39}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 9    and name HD21))
      2.000     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.94904E-02 ppm1      6.144 ppm2      6.989 CV     1
 ASSI {   40}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 9    and name HB2 ))
      3.600     1.700     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.16288E-02 ppm1      6.146 ppm2      3.210 CV     1
 ASSI {   42}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.600     2.600     3.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.16737E-02 ppm1      6.326 ppm2      3.425 CV     1
 ASSI {   44}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.28984E-02 ppm1      6.330 ppm2      6.645 CV     1
 ASSI {   46}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.41553E-02 ppm1      6.330 ppm2      0.388 CV     1
 ASSI {   47}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.53544E-02 ppm1      6.331 ppm2      4.131 CV     1
 ASSI {   48}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.100     2.100     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.98109E-03 ppm1      6.331 ppm2      2.344 CV     1
 OR {   48}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {   49}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.300     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.90416E-03 ppm1      6.331 ppm2      1.669 CV     1
 ASSI {   50}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.50017E-02 ppm1      6.331 ppm2      0.769 CV     1
 ASSI {   51}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      2.500     0.800     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.66691E-02 ppm1      6.331 ppm2      0.147 CV     1
 ASSI {   53}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 39   and name HB% )
      4.000     2.000     2.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33409E-03 ppm1      6.489 ppm2      1.197 CV     1
 ASSI {   54}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 36   and name HB3 ))
      3.400     3.400     2.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.24303E-02 ppm1      6.491 ppm2      2.443 CV     1
 ASSI {   56}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 38   and name HB2 ))
      4.300     2.300     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.45080E-03 ppm1      6.492 ppm2      3.168 CV     1
 OR {   56}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {   57}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HE21))
      2.000     0.500     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.94265E-02 ppm1      6.493 ppm2      7.462 CV     1
 ASSI {   58}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak    58 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      6.493 ppm2      4.156 CV     1
 ASSI {   59}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      6.497 ppm2      8.841 CV     1
 ASSI {   60}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 9    and name HD22))
      4.000     2.000     2.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      6.631 ppm2      6.181 CV     1
 ASSI {   62}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.21674E-02 ppm1      6.635 ppm2      2.425 CV     1
 ASSI {   63}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.30972E-02 ppm1      6.636 ppm2      7.302 CV     1
 ASSI {   66}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.300     1.400     1.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      6.636 ppm2      2.227 CV     1
 OR {   66}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {   67}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.29369E-02 ppm1      6.637 ppm2      4.392 CV     1
 ASSI {   68}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.300     0.600     0.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.77590E-02 ppm1      6.637 ppm2      3.466 CV     1
 ASSI {   69}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.200     0.600     0.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.80795E-02 ppm1      6.637 ppm2      3.047 CV     1
 ASSI {   71}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.800     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.91055E-04 ppm1      6.638 ppm2      4.978 CV     1
 ASSI {   72}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      4.400     2.400     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.56814E-03 ppm1      6.639 ppm2      0.394 CV     1
 ASSI {   74}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.84005E-03 ppm1      6.641 ppm2      7.442 CV     1
 ASSI {   76}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      3.900     1.900     1.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.44631E-03 ppm1      6.643 ppm2      3.743 CV     1
 ASSI {   78}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.33601E-02 ppm1      6.644 ppm2      4.155 CV     1
 ASSI {   79}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      6.644 ppm2      3.430 CV     1
 ASSI {   80}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.66047E-02 ppm1      6.644 ppm2      1.667 CV     1
 ASSI {   81}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.42194E-02 ppm1      6.644 ppm2      0.795 CV     1
 ASSI {   82}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.50594E-02 ppm1      6.644 ppm2      2.339 CV     1
 ASSI {   84}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.700     2.700     1.300 peak    84 spectrum    1 weight  0.10000E+01 volume  0.47196E-03 ppm1      6.645 ppm2      0.149 CV     1
 ASSI {   85}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB3 ))
      4.600     2.700     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.42964E-03 ppm1      6.752 ppm2      2.447 CV     1
 ASSI {   86}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.73101E-03 ppm1      6.755 ppm2      4.202 CV     1
 ASSI {   88}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HD21))
      1.900     0.400     0.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.14043E-01 ppm1      6.757 ppm2      7.563 CV     1
 ASSI {   89}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 92   and name HB3 ))
      3.900     1.900     1.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.46298E-03 ppm1      6.758 ppm2      1.765 CV     1
 OR {   89}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {   90}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB2 ))
      3.800     1.800     1.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      6.759 ppm2      3.533 CV     1
 ASSI {   91}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 90   and name HA1 ))
      4.500     4.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.26291E-03 ppm1      6.764 ppm2      3.994 CV     1
 OR {   91}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 90   and name HA2 ))
 ASSI {   92}
   (( segid "    " and resid 43   and name HE22))
   (( segid "    " and resid 43   and name HG2 ))
      5.200     3.400     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.20392E-03 ppm1      6.817 ppm2      2.556 CV     1
 ASSI {   93}
   (( segid "    " and resid 43   and name HE22))
   (( segid "    " and resid 43   and name HE21))
      1.800     0.400     0.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.22700E-01 ppm1      6.820 ppm2      7.393 CV     1
 ASSI {   94}
   (( segid "    " and resid 43   and name HE22))
   (( segid "    " and resid 43   and name HG3 ))
      4.600     2.700     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.40783E-03 ppm1      6.821 ppm2      2.371 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 92   and name HB3 ))
      4.100     2.100     1.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.40591E-03 ppm1      6.823 ppm2      1.775 CV     1
 OR {   95}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {   96}
   (( segid "    " and resid 15   and name HE22))
   (  segid "    " and resid 12   and name HG2%)
      3.200     3.200     2.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.55530E-03 ppm1      6.827 ppm2      1.091 CV     1
 ASSI {   98}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 15   and name HE21))
      1.800     0.400     0.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.18660E-01 ppm1      6.830 ppm2      7.748 CV     1
 ASSI {   99}
   (( segid "    " and resid 15   and name HE22))
   (  segid "    " and resid 11   and name HE% )
      6.000     4.800     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.50915E-04 ppm1      6.831 ppm2      6.393 CV     1
 ASSI {  100}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 15   and name HG2 ))
      3.900     1.900     1.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.91055E-03 ppm1      6.832 ppm2      2.218 CV     1
 OR {  100}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  102}
   (( segid "    " and resid 109  and name HD22))
   (( segid "    " and resid 109  and name HB2 ))
      3.800     1.800     1.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.12953E-02 ppm1      6.849 ppm2      3.121 CV     1
 ASSI {  103}
   (( segid "    " and resid 109  and name HD22))
   (( segid "    " and resid 109  and name HD21))
      2.000     0.500     0.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.13787E-01 ppm1      6.850 ppm2      7.640 CV     1
 ASSI {  104}
   (( segid "    " and resid 109  and name HD22))
   (  segid "    " and resid 39   and name HB% )
      3.500     1.600     1.600 peak   104 spectrum    1 weight  0.10000E+01 volume  0.14428E-02 ppm1      6.851 ppm2      1.196 CV     1
 ASSI {  105}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.400     2.400     1.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.40078E-03 ppm1      6.851 ppm2      8.286 CV     1
 ASSI {  106}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.500     2.600     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.30972E-03 ppm1      6.851 ppm2      3.740 CV     1
 ASSI {  107}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.28407E-02 ppm1      6.853 ppm2      4.266 CV     1
 ASSI {  108}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.000     3.000     3.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.33409E-02 ppm1      6.853 ppm2      3.570 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.75668E-02 ppm1      6.853 ppm2      3.436 CV     1
 ASSI {  110}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.600     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.11671E-01 ppm1      6.853 ppm2      1.325 CV     1
 ASSI {  111}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.400     1.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.23726E-02 ppm1      6.853 ppm2      0.643 CV     1
 OR {  111}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  112}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 21   and name HE% )
      3.800     1.800     1.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.59828E-03 ppm1      6.853 ppm2      6.418 CV     1
 ASSI {  113}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      4.800     2.900     1.200 peak   113 spectrum    1 weight  0.10000E+01 volume  0.53993E-03 ppm1      6.853 ppm2      2.949 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.500     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12568E-02 ppm1      6.855 ppm2      3.204 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      6.856 ppm2      2.453 CV     1
 ASSI {  117}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HD21))
      1.900     0.500     0.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.14108E-01 ppm1      6.859 ppm2      7.742 CV     1
 ASSI {  118}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HB3 ))
      4.200     2.200     1.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.85283E-03 ppm1      6.859 ppm2      2.457 CV     1
 ASSI {  119}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HB2 ))
      4.200     2.200     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.92982E-03 ppm1      6.860 ppm2      3.160 CV     1
 ASSI {  120}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 66   and name HA  ))
      3.700     1.800     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      6.861 ppm2      4.934 CV     1
 ASSI {  121}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.59123E-03 ppm1      6.880 ppm2      7.450 CV     1
 ASSI {  122}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.43797E-02 ppm1      6.881 ppm2      7.819 CV     1
 ASSI {  124}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 9    and name HD22))
      3.500     1.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      6.882 ppm2      6.133 CV     1
 ASSI {  125}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.38282E-02 ppm1      6.882 ppm2      3.045 CV     1
 ASSI {  127}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.38410E-02 ppm1      6.883 ppm2      4.258 CV     1
 ASSI {  128}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.900     0.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.41425E-02 ppm1      6.883 ppm2      2.317 CV     1
 ASSI {  129}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.400     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.76951E-02 ppm1      6.883 ppm2      2.100 CV     1
 ASSI {  130}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.600     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.28984E-02 ppm1      6.887 ppm2      2.896 CV     1
 ASSI {  132}
   (( segid "    " and resid 37   and name HD22))
   (  segid "    " and resid 41   and name HB% )
      3.200     1.300     1.300 peak   132 spectrum    1 weight  0.10000E+01 volume  0.19237E-02 ppm1      6.916 ppm2      0.429 CV     1
 ASSI {  133}
   (( segid "    " and resid 37   and name HD22))
   (( segid "    " and resid 37   and name HD21))
      1.800     0.400     0.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.17955E-01 ppm1      6.918 ppm2      7.897 CV     1
 ASSI {  134}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.100     2.100     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.40911E-03 ppm1      6.937 ppm2      3.143 CV     1
 ASSI {  135}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.500     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.87849E-03 ppm1      6.938 ppm2      2.460 CV     1
 ASSI {  137}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      4.200     2.200     1.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.39501E-03 ppm1      6.938 ppm2      3.493 CV     1
 ASSI {  138}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      4.000     2.000     2.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.63743E-03 ppm1      6.939 ppm2      2.930 CV     1
 ASSI {  139}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      5.700     4.000     0.300 peak   139 spectrum    1 weight  0.10000E+01 volume  0.15134E-03 ppm1      6.939 ppm2      1.887 CV     1
 ASSI {  140}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.300     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.73101E-02 ppm1      6.940 ppm2      8.494 CV     1
 ASSI {  141}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
      2.500     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.73746E-02 ppm1      6.940 ppm2      4.209 CV     1
 ASSI {  142}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.40719E-02 ppm1      6.940 ppm2      4.022 CV     1
 ASSI {  143}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16929E-02 ppm1      6.940 ppm2      4.937 CV     1
 ASSI {  144}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 36   and name HD21))
      3.800     1.800     1.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.47580E-03 ppm1      6.941 ppm2      7.748 CV     1
 ASSI {  145}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      3.300     1.400     1.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.11863E-02 ppm1      6.941 ppm2      3.748 CV     1
 ASSI {  146}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      4.600     2.700     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.33024E-03 ppm1      6.943 ppm2      1.076 CV     1
 ASSI {  148}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HD21))
      1.800     0.400     0.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.20776E-01 ppm1      6.987 ppm2      7.402 CV     1
 ASSI {  149}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 104  and name HA  ))
      3.700     3.700     2.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      6.987 ppm2      4.260 CV     1
 ASSI {  152}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 104  and name HG3 ))
      3.800     3.800     2.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.86566E-03 ppm1      6.987 ppm2      2.227 CV     1
 OR {  152}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  153}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HB3 ))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.27702E-02 ppm1      6.988 ppm2      2.448 CV     1
 ASSI {  154}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.33922E-03 ppm1      6.988 ppm2      4.401 CV     1
 ASSI {  156}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.300     1.300 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      6.992 ppm2      3.210 CV     1
 ASSI {  157}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      7.014 ppm2      0.921 CV     1
 ASSI {  158}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      5.000     5.000     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.18917E-03 ppm1      7.015 ppm2      1.060 CV     1
 ASSI {  159}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      3.300     1.400     1.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.38795E-03 ppm1      7.016 ppm2      1.520 CV     1
 ASSI {  160}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      4.900     3.000     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.32768E-03 ppm1      7.016 ppm2      0.279 CV     1
 ASSI {  161}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.28728E-02 ppm1      7.017 ppm2      4.635 CV     1
 ASSI {  162}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.200     2.200     1.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.73101E-03 ppm1      7.017 ppm2      8.365 CV     1
 ASSI {  163}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.63486E-02 ppm1      7.019 ppm2      7.828 CV     1
 ASSI {  164}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16031E-02 ppm1      7.019 ppm2      4.470 CV     1
 ASSI {  165}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      4.000     2.000     2.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.70535E-03 ppm1      7.019 ppm2      3.929 CV     1
 ASSI {  166}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.23662E-02 ppm1      7.019 ppm2      2.900 CV     1
 ASSI {  167}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
      2.800     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.71179E-02 ppm1      7.019 ppm2      2.371 CV     1
 ASSI {  169}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.600     1.600     1.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.71179E-03 ppm1      7.020 ppm2      4.059 CV     1
 ASSI {  170}
   (( segid "    " and resid 50   and name HD22))
   (( segid "    " and resid 50   and name HD21))
      1.900     0.500     0.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.12248E-01 ppm1      7.045 ppm2      7.806 CV     1
 ASSI {  171}
   (( segid "    " and resid 50   and name HD22))
   (( segid "    " and resid 52   and name HB  ))
      5.000     3.100     1.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.39693E-03 ppm1      7.046 ppm2      3.949 CV     1
 ASSI {  172}
   (( segid "    " and resid 50   and name HD22))
   (  segid "    " and resid 48   and name HG2%)
      3.100     1.200     1.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.15069E-02 ppm1      7.046 ppm2      1.141 CV     1
 ASSI {  173}
   (( segid "    " and resid 50   and name HD22))
   (( segid "    " and resid 50   and name HB3 ))
      3.900     1.900     1.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      7.047 ppm2      3.107 CV     1
 ASSI {  174}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.400     1.400 peak   174 spectrum    1 weight  0.10000E+01 volume  0.78234E-03 ppm1      7.057 ppm2      8.533 CV     1
 ASSI {  175}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      4.000     2.000     2.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      7.065 ppm2      3.608 CV     1
 ASSI {  176}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      3.200     1.200     1.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      7.067 ppm2      2.665 CV     1
 ASSI {  177}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HD1 ))
      4.800     2.900     1.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.51172E-03 ppm1      7.067 ppm2      6.662 CV     1
 ASSI {  180}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      2.900     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.23790E-02 ppm1      7.068 ppm2      0.988 CV     1
 ASSI {  181}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14171E-02 ppm1      7.068 ppm2      3.771 CV     1
 ASSI {  182}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.52326E-03 ppm1      7.070 ppm2      4.141 CV     1
 ASSI {  183}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      3.900     1.900     1.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      7.143 ppm2      1.349 CV     1
 ASSI {  185}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.60215E-02 ppm1      7.144 ppm2      8.059 CV     1
 ASSI {  186}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.27445E-02 ppm1      7.144 ppm2      3.770 CV     1
 ASSI {  187}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.22572E-02 ppm1      7.144 ppm2      3.165 CV     1
 OR {  187}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  188}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.300     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.83361E-02 ppm1      7.144 ppm2      1.196 CV     1
 ASSI {  189}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.300     2.300     1.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.45593E-03 ppm1      7.144 ppm2      0.440 CV     1
 ASSI {  190}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      3.200     1.300     1.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.13338E-02 ppm1      7.145 ppm2      7.457 CV     1
 ASSI {  191}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.53416E-03 ppm1      7.145 ppm2      5.045 CV     1
 ASSI {  192}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.11863E-02 ppm1      7.145 ppm2      4.175 CV     1
 ASSI {  195}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.300     2.300     1.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.56109E-03 ppm1      7.145 ppm2      3.991 CV     1
 ASSI {  197}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 60   and name HE22))
      3.500     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.11799E-02 ppm1      7.147 ppm2      6.492 CV     1
 ASSI {  198}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      5.100     3.300     0.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.30331E-03 ppm1      7.147 ppm2      8.849 CV     1
 ASSI {  200}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.400     2.500     1.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.34499E-03 ppm1      7.161 ppm2      0.836 CV     1
 ASSI {  201}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.29048E-02 ppm1      7.162 ppm2      4.982 CV     1
 ASSI {  202}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.17570E-02 ppm1      7.162 ppm2      3.049 CV     1
 ASSI {  203}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      3.200     1.300     1.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.32640E-02 ppm1      7.162 ppm2      2.062 CV     1
 ASSI {  204}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      4.200     2.200     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.69896E-03 ppm1      7.162 ppm2      1.097 CV     1
 ASSI {  206}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.27317E-02 ppm1      7.163 ppm2      3.457 CV     1
 ASSI {  207}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.26484E-02 ppm1      7.163 ppm2      2.413 CV     1
 ASSI {  211}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.27317E-03 ppm1      7.164 ppm2      8.153 CV     1
 ASSI {  212}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.900     3.000     1.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.31165E-03 ppm1      7.165 ppm2      6.635 CV     1
 ASSI {  213}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.47260E-03 ppm1      7.165 ppm2      9.300 CV     1
 ASSI {  214}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HE1 ))
      6.000     6.000     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.24239E-04 ppm1      7.192 ppm2     10.675 CV     1
 ASSI {  216}
   (( segid "    " and resid 34   and name HD22))
   (( segid "    " and resid 34   and name HB2 ))
      5.100     3.300     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.22379E-03 ppm1      7.241 ppm2      3.253 CV     1
 ASSI {  217}
   (( segid "    " and resid 34   and name HD22))
   (( segid "    " and resid 34   and name HB3 ))
      4.300     2.300     1.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.61045E-03 ppm1      7.244 ppm2      2.942 CV     1
 ASSI {  220}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      7.304 ppm2      3.172 CV     1
 ASSI {  223}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.59314E-02 ppm1      7.305 ppm2      0.943 CV     1
 ASSI {  224}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.900     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.21289E-02 ppm1      7.305 ppm2      2.229 CV     1
 ASSI {  225}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      7.305 ppm2      9.299 CV     1
 ASSI {  226}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.82078E-03 ppm1      7.306 ppm2      4.593 CV     1
 ASSI {  227}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.200     1.300     1.300 peak   227 spectrum    1 weight  0.10000E+01 volume  0.19494E-02 ppm1      7.306 ppm2      2.420 CV     1
 ASSI {  229}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HD21))
      2.000     0.500     0.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.87211E-02 ppm1      7.308 ppm2      7.663 CV     1
 ASSI {  230}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HB3 ))
      3.900     1.900     1.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      7.308 ppm2      2.788 CV     1
 ASSI {  232}
   (( segid "    " and resid 76   and name HD22))
   (  segid "    " and resid 99   and name HG2%)
      3.300     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      7.309 ppm2      0.977 CV     1
 ASSI {  233}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 82   and name HB  ))
      4.300     2.300     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.42322E-03 ppm1      7.309 ppm2      4.123 CV     1
 ASSI {  234}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 80   and name HB2 ))
      4.300     2.400     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.48542E-03 ppm1      7.310 ppm2      3.966 CV     1
 OR {  234}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  235}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HB2 ))
      4.500     2.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.61176E-03 ppm1      7.310 ppm2      2.932 CV     1
 ASSI {  236}
   (( segid "    " and resid 43   and name HE21))
   (( segid "    " and resid 43   and name HG3 ))
      3.700     1.700     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.50146E-03 ppm1      7.393 ppm2      2.369 CV     1
 ASSI {  237}
   (( segid "    " and resid 43   and name HE21))
   (( segid "    " and resid 49   and name HB  ))
      4.700     2.800     1.300 peak   237 spectrum    1 weight  0.10000E+01 volume  0.23918E-03 ppm1      7.394 ppm2      1.931 CV     1
 ASSI {  239}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.15967E-02 ppm1      7.404 ppm2      2.225 CV     1
 OR {  239}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 104  and name HG3 ))
 OR {  239}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  241}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 104  and name HA  ))
      3.600     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      7.405 ppm2      4.261 CV     1
 ASSI {  245}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      7.417 ppm2      4.622 CV     1
 ASSI {  246}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.46426E-02 ppm1      7.418 ppm2      8.949 CV     1
 ASSI {  247}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      3.300     1.300     1.300 peak   247 spectrum    1 weight  0.10000E+01 volume  0.16223E-02 ppm1      7.418 ppm2      4.137 CV     1
 ASSI {  248}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.500     1.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      7.418 ppm2      0.821 CV     1
 ASSI {  249}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.700     2.800     1.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.44759E-03 ppm1      7.418 ppm2      1.785 CV     1
 OR {  249}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI {  251}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      7.419 ppm2      3.502 CV     1
 ASSI {  252}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      3.300     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      7.419 ppm2      3.360 CV     1
 ASSI {  253}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.300     0.700     0.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.71179E-02 ppm1      7.419 ppm2      2.205 CV     1
 ASSI {  254}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      2.300     0.600     0.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.86566E-02 ppm1      7.419 ppm2      1.096 CV     1
 ASSI {  255}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      3.300     1.400     1.400 peak   255 spectrum    1 weight  0.10000E+01 volume  0.19366E-02 ppm1      7.419 ppm2      0.510 CV     1
 ASSI {  256}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.70535E-03 ppm1      7.420 ppm2      8.350 CV     1
 ASSI {  259}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      5.200     3.400     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.30074E-03 ppm1      7.450 ppm2      1.390 CV     1
 ASSI {  260}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.500     2.500     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.20648E-03 ppm1      7.451 ppm2      4.394 CV     1
 ASSI {  261}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.800     1.800     1.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.56175E-03 ppm1      7.451 ppm2      4.567 CV     1
 ASSI {  262}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.82722E-03 ppm1      7.452 ppm2      4.123 CV     1
 ASSI {  263}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.11478E-02 ppm1      7.452 ppm2      3.172 CV     1
 ASSI {  264}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.60275E-02 ppm1      7.452 ppm2      2.008 CV     1
 ASSI {  265}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.300     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.75023E-02 ppm1      7.452 ppm2      0.996 CV     1
 ASSI {  266}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.28984E-02 ppm1      7.453 ppm2      8.372 CV     1
 ASSI {  267}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      7.453 ppm2      3.943 CV     1
 ASSI {  268}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.27574E-02 ppm1      7.453 ppm2      3.039 CV     1
 ASSI {  270}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.30844E-03 ppm1      7.464 ppm2      8.787 CV     1
 ASSI {  273}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.27125E-02 ppm1      7.465 ppm2      4.154 CV     1
 ASSI {  274}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 38   and name HB2 ))
      4.000     2.000     2.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.33666E-03 ppm1      7.465 ppm2      3.148 CV     1
 OR {  274}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  275}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 39   and name HB% )
      3.600     1.600     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.26163E-03 ppm1      7.469 ppm2      1.195 CV     1
 ASSI {  276}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.500     2.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.30908E-03 ppm1      7.530 ppm2      0.911 CV     1
 ASSI {  277}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.100     2.100     1.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.13915E-03 ppm1      7.531 ppm2      0.428 CV     1
 ASSI {  278}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.29369E-02 ppm1      7.534 ppm2      4.621 CV     1
 ASSI {  279}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      2.900     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.36615E-02 ppm1      7.535 ppm2      3.826 CV     1
 ASSI {  280}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.17121E-02 ppm1      7.537 ppm2      3.278 CV     1
 ASSI {  281}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.49055E-02 ppm1      7.538 ppm2      8.009 CV     1
 ASSI {  282}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      2.300     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10581E-01 ppm1      7.538 ppm2      1.848 CV     1
 ASSI {  283}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.300     3.500     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.91699E-04 ppm1      7.547 ppm2      3.643 CV     1
 ASSI {  285}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      3.100     1.200     1.200 peak   285 spectrum    1 weight  0.10000E+01 volume  0.30331E-02 ppm1      7.555 ppm2      1.021 CV     1
 ASSI {  287}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.100     3.100     2.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.50723E-02 ppm1      7.556 ppm2      4.032 CV     1
 ASSI {  288}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      3.700     1.700     1.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.20007E-02 ppm1      7.556 ppm2      1.506 CV     1
 ASSI {  290}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.54892E-02 ppm1      7.557 ppm2      4.250 CV     1
 ASSI {  291}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.81439E-02 ppm1      7.557 ppm2      2.218 CV     1
 OR {  291}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG3 ))
 ASSI {  292}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.900     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.69252E-02 ppm1      7.557 ppm2      2.039 CV     1
 ASSI {  295}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB3 ))
      2.900     1.000     1.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      7.560 ppm2      2.442 CV     1
 ASSI {  298}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 92   and name HB3 ))
      4.100     2.100     1.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.46619E-03 ppm1      7.564 ppm2      1.773 CV     1
 OR {  298}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {  300}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   300 spectrum    1 weight  0.10000E+01 volume  0.16031E-02 ppm1      7.566 ppm2      4.199 CV     1
 ASSI {  301}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 90   and name HA2 ))
      4.800     2.900     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.26355E-03 ppm1      7.566 ppm2      3.996 CV     1
 OR {  301}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 90   and name HA1 ))
 ASSI {  303}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.45336E-02 ppm1      7.588 ppm2      7.819 CV     1
 ASSI {  304}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak   304 spectrum    1 weight  0.10000E+01 volume  0.33409E-02 ppm1      7.589 ppm2      1.128 CV     1
 ASSI {  305}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG1%)
      2.400     0.700     0.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.52646E-02 ppm1      7.589 ppm2      0.959 CV     1
 ASSI {  306}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.200     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.74385E-02 ppm1      7.589 ppm2      0.794 CV     1
 ASSI {  308}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     6.000     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.67974E-04 ppm1      7.589 ppm2      0.152 CV     1
 ASSI {  309}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      5.100     3.300     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.31742E-03 ppm1      7.589 ppm2     -0.003 CV     1
 ASSI {  311}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.300     1.400     1.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.18211E-02 ppm1      7.590 ppm2      0.599 CV     1
 ASSI {  312}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      4.100     2.200     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.78234E-03 ppm1      7.590 ppm2      0.429 CV     1
 ASSI {  315}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HE3 ))
      4.800     2.900     1.200 peak   315 spectrum    1 weight  0.10000E+01 volume  0.38539E-03 ppm1      7.593 ppm2      1.996 CV     1
 ASSI {  317}
   (( segid "    " and resid 109  and name HD21))
   (( segid "    " and resid 109  and name HB2 ))
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.32640E-02 ppm1      7.641 ppm2      3.126 CV     1
 ASSI {  318}
   (( segid "    " and resid 109  and name HD21))
   (  segid "    " and resid 39   and name HB% )
      3.100     1.200     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      7.641 ppm2      1.198 CV     1
 ASSI {  319}
   (( segid "    " and resid 109  and name HD21))
   (( segid "    " and resid 109  and name HB3 ))
      3.700     1.700     1.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.52069E-03 ppm1      7.642 ppm2      2.038 CV     1
 ASSI {  320}
   (( segid "    " and resid 76   and name HD21))
   (  segid "    " and resid 99   and name HG2%)
      3.200     1.300     1.300 peak   320 spectrum    1 weight  0.10000E+01 volume  0.16544E-02 ppm1      7.662 ppm2      0.980 CV     1
 ASSI {  321}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.100     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.12953E-02 ppm1      7.663 ppm2      9.058 CV     1
 ASSI {  323}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 76   and name HB2 ))
      2.900     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.12761E-02 ppm1      7.663 ppm2      2.939 CV     1
 ASSI {  324}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.42643E-02 ppm1      7.664 ppm2      2.791 CV     1
 ASSI {  326}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 80   and name HB2 ))
      3.400     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.76951E-03 ppm1      7.665 ppm2      3.972 CV     1
 OR {  326}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  327}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      6.000     5.300     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.14813E-03 ppm1      7.673 ppm2      2.689 CV     1
 ASSI {  329}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      5.300     3.600     0.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.24111E-03 ppm1      7.675 ppm2      3.060 CV     1
 ASSI {  331}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.40462E-03 ppm1      7.676 ppm2      8.353 CV     1
 ASSI {  332}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.800     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.25329E-03 ppm1      7.676 ppm2      6.661 CV     1
 ASSI {  333}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.200     1.300     1.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.40206E-02 ppm1      7.677 ppm2      3.457 CV     1
 ASSI {  334}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.24944E-02 ppm1      7.677 ppm2      3.049 CV     1
 ASSI {  335}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.300     2.300     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.94265E-03 ppm1      7.677 ppm2      1.636 CV     1
 ASSI {  336}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.27830E-02 ppm1      7.677 ppm2      4.131 CV     1
 ASSI {  337}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     1.700     1.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.52582E-03 ppm1      7.677 ppm2      4.588 CV     1
 ASSI {  338}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.900     3.000     1.100 peak   338 spectrum    1 weight  0.10000E+01 volume  0.27317E-03 ppm1      7.677 ppm2      0.977 CV     1
 ASSI {  339}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.800     1.800     1.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.67974E-03 ppm1      7.677 ppm2      1.121 CV     1
 ASSI {  340}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.800     2.800     1.200 peak   340 spectrum    1 weight  0.10000E+01 volume  0.42899E-03 ppm1      7.677 ppm2      0.931 CV     1
 ASSI {  341}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.27766E-02 ppm1      7.678 ppm2      6.635 CV     1
 ASSI {  342}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.50017E-02 ppm1      7.678 ppm2      3.948 CV     1
 ASSI {  344}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   344 spectrum    1 weight  0.10000E+01 volume  0.21418E-02 ppm1      7.678 ppm2      4.400 CV     1
 ASSI {  345}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.400     1.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      7.678 ppm2      4.257 CV     1
 ASSI {  346}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.58097E-02 ppm1      7.678 ppm2      3.750 CV     1
 ASSI {  347}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      2.200     0.600     0.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.10516E-01 ppm1      7.678 ppm2      3.560 CV     1
 ASSI {  348}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG1%)
      4.100     2.100     1.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.88494E-03 ppm1      7.678 ppm2      0.958 CV     1
 ASSI {  349}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      4.000     2.000     2.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.71818E-03 ppm1      7.678 ppm2      1.383 CV     1
 ASSI {  350}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.500     0.800     0.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.49248E-02 ppm1      7.678 ppm2      2.768 CV     1
 ASSI {  351}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.37449E-02 ppm1      7.679 ppm2      7.448 CV     1
 ASSI {  352}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.500     1.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.92338E-03 ppm1      7.679 ppm2      4.397 CV     1
 ASSI {  353}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      3.700     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.89777E-03 ppm1      7.679 ppm2      2.477 CV     1
 ASSI {  354}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.300     0.600     0.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.63612E-02 ppm1      7.679 ppm2      8.281 CV     1
 ASSI {  356}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.800     1.000     1.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.46234E-02 ppm1      7.679 ppm2      4.201 CV     1
 ASSI {  357}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.100     1.200     1.200 peak   357 spectrum    1 weight  0.10000E+01 volume  0.18981E-02 ppm1      7.679 ppm2      1.853 CV     1
 ASSI {  358}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.300     1.300     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.15326E-02 ppm1      7.680 ppm2      0.795 CV     1
 ASSI {  359}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      7.680 ppm2      4.346 CV     1
 ASSI {  360}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.300     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.84005E-02 ppm1      7.680 ppm2      3.755 CV     1
 ASSI {  361}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.98109E-03 ppm1      7.680 ppm2      8.318 CV     1
 ASSI {  363}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
      4.100     2.100     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.44054E-03 ppm1      7.682 ppm2      7.324 CV     1
 ASSI {  364}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.300     2.300     1.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.28215E-03 ppm1      7.682 ppm2      2.334 CV     1
 OR {  364}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  365}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.200     1.200 peak   365 spectrum    1 weight  0.10000E+01 volume  0.39758E-02 ppm1      7.683 ppm2      7.209 CV     1
 ASSI {  366}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.47773E-02 ppm1      7.683 ppm2      6.849 CV     1
 ASSI {  367}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.47837E-02 ppm1      7.683 ppm2      3.490 CV     1
 ASSI {  368}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.700     0.900     0.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.69896E-02 ppm1      7.683 ppm2      2.945 CV     1
 ASSI {  369}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak   369 spectrum    1 weight  0.10000E+01 volume  0.11671E-02 ppm1      7.683 ppm2      1.439 CV     1
 ASSI {  370}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.59314E-03 ppm1      7.683 ppm2      0.642 CV     1
 OR {  370}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  371}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      4.400     2.500     1.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.59762E-03 ppm1      7.683 ppm2      2.110 CV     1
 ASSI {  372}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.28856E-02 ppm1      7.683 ppm2      4.255 CV     1
 ASSI {  373}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.700     1.700     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      7.684 ppm2      1.260 CV     1
 ASSI {  374}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      4.300     2.300     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.27061E-03 ppm1      7.684 ppm2      2.123 CV     1
 ASSI {  375}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.100     3.300     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.45400E-03 ppm1      7.686 ppm2      0.159 CV     1
 ASSI {  376}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.38410E-02 ppm1      7.686 ppm2      4.367 CV     1
 ASSI {  378}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.600     5.600     0.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.57136E-04 ppm1      7.699 ppm2      2.574 CV     1
 OR {  378}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {  379}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 86   and name HB3 ))
      4.200     2.200     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.30331E-03 ppm1      7.702 ppm2      1.355 CV     1
 ASSI {  380}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 19   and name HB2 ))
      4.000     4.000     2.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.29048E-03 ppm1      7.703 ppm2      3.986 CV     1
 ASSI {  382}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.47003E-02 ppm1      7.706 ppm2      8.245 CV     1
 ASSI {  383}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.36936E-02 ppm1      7.706 ppm2      3.275 CV     1
 ASSI {  384}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.100     1.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.35910E-02 ppm1      7.706 ppm2      7.154 CV     1
 ASSI {  385}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      3.600     1.700     1.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.12697E-02 ppm1      7.706 ppm2      1.206 CV     1
 ASSI {  386}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     1.400     1.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.96826E-03 ppm1      7.707 ppm2      4.180 CV     1
 ASSI {  387}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.400     1.400 peak   387 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      7.707 ppm2      3.774 CV     1
 ASSI {  388}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.400     1.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      7.707 ppm2      3.636 CV     1
 ASSI {  389}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      2.400     0.700     0.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.63994E-02 ppm1      7.707 ppm2      0.429 CV     1
 ASSI {  390}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      2.100     0.600     0.600 peak   390 spectrum    1 weight  0.10000E+01 volume  0.10965E-01 ppm1      7.707 ppm2      0.911 CV     1
 ASSI {  391}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HE3 ))
      5.100     3.300     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.22636E-03 ppm1      7.710 ppm2      5.904 CV     1
 ASSI {  393}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      4.400     2.500     1.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.38603E-03 ppm1      7.710 ppm2      1.846 CV     1
 ASSI {  395}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.19686E-02 ppm1      7.739 ppm2      3.146 CV     1
 ASSI {  396}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      7.740 ppm2      4.933 CV     1
 ASSI {  397}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HB3 ))
      3.000     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.19494E-02 ppm1      7.741 ppm2      2.462 CV     1
 ASSI {  398}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 92   and name HB3 ))
      4.600     2.700     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16480E-03 ppm1      7.742 ppm2      1.799 CV     1
 OR {  398}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {  400}
   (( segid "    " and resid 15   and name HE21))
   (  segid "    " and resid 12   and name HG2%)
      2.900     2.900     3.100 peak   400 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      7.746 ppm2      1.099 CV     1
 ASSI {  401}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HB3 ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      7.747 ppm2      2.227 CV     1
 OR {  401}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  402}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HG3 ))
      3.100     1.200     1.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.21353E-02 ppm1      7.747 ppm2      2.060 CV     1
 ASSI {  403}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 17   and name HN  ))
      5.100     3.200     0.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.21867E-03 ppm1      7.747 ppm2      7.294 CV     1
 ASSI {  404}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.500     3.500     2.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      7.748 ppm2      6.832 CV     1
 ASSI {  406}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HE1 ))
      4.300     2.300     1.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.27381E-03 ppm1      7.749 ppm2     10.082 CV     1
 ASSI {  407}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.24624E-03 ppm1      7.749 ppm2      4.420 CV     1
 ASSI {  408}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.800     1.800     1.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      7.750 ppm2      0.989 CV     1
 ASSI {  409}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HE1 ))
      4.000     2.000     2.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.49376E-03 ppm1      7.751 ppm2      9.652 CV     1
 ASSI {  410}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.32896E-02 ppm1      7.751 ppm2      8.583 CV     1
 ASSI {  413}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.41681E-02 ppm1      7.753 ppm2      7.066 CV     1
 ASSI {  414}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HD1 ))
      3.300     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      7.753 ppm2      6.661 CV     1
 ASSI {  415}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11157E-02 ppm1      7.753 ppm2      4.152 CV     1
 ASSI {  416}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HA1 ))
      4.300     2.300     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.86566E-03 ppm1      7.753 ppm2      3.864 CV     1
 ASSI {  417}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.400     2.400     1.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.48222E-03 ppm1      7.754 ppm2      0.425 CV     1
 ASSI {  418}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HE3 ))
      5.000     3.100     1.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.14556E-03 ppm1      7.754 ppm2      5.903 CV     1
 ASSI {  420}
   (( segid "    " and resid 50   and name HD21))
   (( segid "    " and resid 50   and name HB3 ))
      3.200     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.22829E-02 ppm1      7.803 ppm2      3.111 CV     1
 ASSI {  421}
   (( segid "    " and resid 50   and name HD21))
   (  segid "    " and resid 48   and name HG2%)
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.20199E-02 ppm1      7.803 ppm2      1.142 CV     1
 ASSI {  422}
   (( segid "    " and resid 50   and name HD21))
   (( segid "    " and resid 52   and name HB  ))
      4.000     2.000     2.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.67330E-03 ppm1      7.804 ppm2      3.940 CV     1
 ASSI {  423}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      4.100     2.100     1.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.57070E-03 ppm1      7.812 ppm2      0.797 CV     1
 ASSI {  424}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.16801E-02 ppm1      7.814 ppm2      4.272 CV     1
 ASSI {  426}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.32383E-02 ppm1      7.815 ppm2      3.612 CV     1
 ASSI {  427}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.19815E-02 ppm1      7.815 ppm2      3.047 CV     1
 ASSI {  429}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.62973E-02 ppm1      7.815 ppm2      1.139 CV     1
 OR {  429}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  430}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.600     1.600     1.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.20456E-02 ppm1      7.815 ppm2      0.592 CV     1
 ASSI {  431}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      2.700     0.900     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25329E-02 ppm1      7.815 ppm2      0.438 CV     1
 ASSI {  432}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      3.900     1.900     1.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.14620E-02 ppm1      7.815 ppm2     -0.011 CV     1
 ASSI {  434}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.22123E-02 ppm1      7.816 ppm2      2.096 CV     1
 ASSI {  435}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      4.900     3.000     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.20520E-03 ppm1      7.817 ppm2      1.019 CV     1
 ASSI {  436}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      3.800     1.800     1.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      7.822 ppm2      7.404 CV     1
 ASSI {  437}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.42899E-02 ppm1      7.825 ppm2      8.359 CV     1
 ASSI {  439}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.30139E-02 ppm1      7.825 ppm2      4.471 CV     1
 ASSI {  440}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.400     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.85927E-03 ppm1      7.825 ppm2      4.067 CV     1
 ASSI {  441}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      3.100     1.200     1.200 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17570E-02 ppm1      7.825 ppm2      3.915 CV     1
 ASSI {  442}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB3 ))
      2.200     2.200     3.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.98754E-02 ppm1      7.825 ppm2      2.503 CV     1
 ASSI {  444}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.300     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      7.826 ppm2      4.261 CV     1
 ASSI {  445}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      3.700     1.700     1.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.22893E-03 ppm1      7.827 ppm2      1.514 CV     1
 ASSI {  446}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      3.200     1.300     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.17121E-02 ppm1      7.865 ppm2      3.748 CV     1
 ASSI {  447}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.27510E-02 ppm1      7.866 ppm2      6.643 CV     1
 ASSI {  449}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.48222E-02 ppm1      7.866 ppm2      3.425 CV     1
 ASSI {  450}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.200     0.600     0.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.73101E-02 ppm1      7.866 ppm2      2.111 CV     1
 ASSI {  451}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.27959E-02 ppm1      7.866 ppm2      0.793 CV     1
 ASSI {  452}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.40014E-02 ppm1      7.867 ppm2      7.684 CV     1
 ASSI {  453}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.14236E-02 ppm1      7.867 ppm2      4.258 CV     1
 ASSI {  454}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      6.000     5.700     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.44439E-04 ppm1      7.868 ppm2      2.465 CV     1
 ASSI {  455}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.600     3.900     0.400 peak   455 spectrum    1 weight  0.10000E+01 volume  0.49055E-03 ppm1      7.868 ppm2      0.155 CV     1
 ASSI {  456}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.800     2.800     1.200 peak   456 spectrum    1 weight  0.10000E+01 volume  0.31870E-03 ppm1      7.870 ppm2      6.358 CV     1
 ASSI {  457}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      7.873 ppm2      2.367 CV     1
 ASSI {  458}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
      4.000     2.000     2.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.68613E-03 ppm1      7.873 ppm2      0.748 CV     1
 ASSI {  459}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.300     2.300     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.31036E-03 ppm1      7.873 ppm2      3.633 CV     1
 ASSI {  460}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      3.200     3.200     2.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.53544E-03 ppm1      7.873 ppm2      0.422 CV     1
 ASSI {  461}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.500     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.23021E-02 ppm1      7.874 ppm2      2.556 CV     1
 ASSI {  462}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.200     0.600     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.10260E-01 ppm1      7.874 ppm2      2.112 CV     1
 OR {  462}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  463}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      2.300     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.70535E-02 ppm1      7.874 ppm2      0.926 CV     1
 ASSI {  464}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   464 spectrum    1 weight  0.10000E+01 volume  0.98109E-03 ppm1      7.874 ppm2      3.272 CV     1
 ASSI {  465}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      5.000     3.100     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.18789E-03 ppm1      7.874 ppm2      1.180 CV     1
 ASSI {  467}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.36359E-02 ppm1      7.875 ppm2      4.344 CV     1
 ASSI {  468}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      7.875 ppm2      3.984 CV     1
 ASSI {  469}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      3.500     1.500     1.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.31421E-03 ppm1      7.875 ppm2      1.352 CV     1
 ASSI {  472}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      3.100     1.200     1.200 peak   472 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      7.896 ppm2      3.702 CV     1
 ASSI {  474}
   (( segid "    " and resid 37   and name HD21))
   (  segid "    " and resid 41   and name HB% )
      3.100     1.200     1.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      7.896 ppm2      0.427 CV     1
 ASSI {  475}
   (( segid "    " and resid 37   and name HD21))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.37449E-02 ppm1      7.897 ppm2      3.588 CV     1
 ASSI {  476}
   (( segid "    " and resid 37   and name HD21))
   (( segid "    " and resid 37   and name HB3 ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      7.898 ppm2      2.829 CV     1
 ASSI {  477}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      3.200     1.300     1.300 peak   477 spectrum    1 weight  0.10000E+01 volume  0.37064E-02 ppm1      7.901 ppm2      1.515 CV     1
 ASSI {  479}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     0.900     0.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.29113E-02 ppm1      7.902 ppm2      9.017 CV     1
 ASSI {  480}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.300     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.66691E-02 ppm1      7.902 ppm2      8.821 CV     1
 ASSI {  481}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.300     2.400     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.78234E-03 ppm1      7.902 ppm2      5.632 CV     1
 ASSI {  482}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.40719E-02 ppm1      7.902 ppm2      4.316 CV     1
 ASSI {  483}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.30139E-02 ppm1      7.902 ppm2      4.126 CV     1
 ASSI {  484}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      7.902 ppm2      1.136 CV     1
 ASSI {  485}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      2.600     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.43348E-02 ppm1      7.902 ppm2      0.508 CV     1
 ASSI {  486}
   (( segid "    " and resid 37   and name HD21))
   (( segid "    " and resid 32   and name HA  ))
      5.200     3.400     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.43156E-03 ppm1      7.902 ppm2      4.474 CV     1
 ASSI {  488}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.34948E-02 ppm1      7.903 ppm2      3.860 CV     1
 ASSI {  489}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.800     1.800     1.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21353E-02 ppm1      7.903 ppm2      2.615 CV     1
 ASSI {  490}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak   490 spectrum    1 weight  0.10000E+01 volume  0.20199E-02 ppm1      7.903 ppm2      2.186 CV     1
 ASSI {  491}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.93621E-03 ppm1      7.904 ppm2      8.405 CV     1
 ASSI {  493}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      7.905 ppm2      2.029 CV     1
 ASSI {  494}
   (( segid "    " and resid 37   and name HD21))
   (( segid "    " and resid 33   and name HA2 ))
      3.700     1.700     1.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.37321E-03 ppm1      7.905 ppm2      4.341 CV     1
 ASSI {  495}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      7.906 ppm2      9.481 CV     1
 ASSI {  496}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.500     1.600     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      7.906 ppm2      7.015 CV     1
 ASSI {  497}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.41425E-02 ppm1      7.906 ppm2      4.628 CV     1
 ASSI {  498}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.600     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.35589E-02 ppm1      7.906 ppm2      3.123 CV     1
 ASSI {  499}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.500     1.600     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.28215E-02 ppm1      7.906 ppm2      2.199 CV     1
 ASSI {  501}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.100     1.200     1.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.42771E-02 ppm1      7.907 ppm2      2.897 CV     1
 ASSI {  502}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.000     1.100     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.18019E-02 ppm1      7.908 ppm2      5.003 CV     1
 ASSI {  503}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.300     2.300     1.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.38154E-03 ppm1      7.909 ppm2      9.327 CV     1
 ASSI {  505}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.700     3.700     2.300 peak   505 spectrum    1 weight  0.10000E+01 volume  0.20841E-03 ppm1      7.911 ppm2      0.129 CV     1
 ASSI {  506}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 99   and name HG2%)
      4.700     2.700     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.43220E-03 ppm1      7.930 ppm2      0.982 CV     1
 ASSI {  507}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      7.931 ppm2      9.069 CV     1
 ASSI {  511}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.45080E-02 ppm1      7.933 ppm2      4.333 CV     1
 ASSI {  512}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.50466E-02 ppm1      7.933 ppm2      3.976 CV     1
 OR {  512}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  513}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA1 ))
      3.600     1.600     1.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      7.933 ppm2      3.495 CV     1
 ASSI {  514}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.800     1.800     1.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.36102E-03 ppm1      7.933 ppm2      2.924 CV     1
 ASSI {  515}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      4.100     2.100     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.81439E-03 ppm1      7.933 ppm2      2.784 CV     1
 ASSI {  516}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      3.800     1.800     1.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.85283E-03 ppm1      7.934 ppm2      1.396 CV     1
 ASSI {  517}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.800     2.800     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.35589E-03 ppm1      7.973 ppm2      9.066 CV     1
 ASSI {  518}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.46747E-02 ppm1      7.977 ppm2      8.175 CV     1
 ASSI {  519}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   519 spectrum    1 weight  0.10000E+01 volume  0.22187E-02 ppm1      7.978 ppm2      4.583 CV     1
 ASSI {  520}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      3.400     1.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.13338E-02 ppm1      7.978 ppm2      3.961 CV     1
 OR {  520}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  521}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.900     1.100     1.100 peak   521 spectrum    1 weight  0.10000E+01 volume  0.33601E-02 ppm1      7.978 ppm2      2.926 CV     1
 ASSI {  522}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.400     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      7.978 ppm2      2.613 CV     1
 ASSI {  523}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.900     1.000     1.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      7.978 ppm2      4.615 CV     1
 ASSI {  524}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      5.000     3.100     1.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.17506E-03 ppm1      7.978 ppm2      3.361 CV     1
 ASSI {  525}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.300     1.300 peak   525 spectrum    1 weight  0.10000E+01 volume  0.14685E-02 ppm1      7.979 ppm2      4.146 CV     1
 ASSI {  526}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.700     1.700     1.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.50081E-03 ppm1      7.979 ppm2      3.069 CV     1
 ASSI {  527}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.200     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      7.979 ppm2      8.227 CV     1
 ASSI {  528}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      5.900     4.400     0.100 peak   528 spectrum    1 weight  0.10000E+01 volume  0.88494E-04 ppm1      7.979 ppm2      5.237 CV     1
 ASSI {  529}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.69252E-02 ppm1      7.980 ppm2      4.081 CV     1
 ASSI {  530}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      3.000     1.100     1.100 peak   530 spectrum    1 weight  0.10000E+01 volume  0.45785E-02 ppm1      7.980 ppm2      3.736 CV     1
 ASSI {  531}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 86   and name HG2 ))
      3.500     1.500     1.500 peak   531 spectrum    1 weight  0.10000E+01 volume  0.14749E-02 ppm1      7.980 ppm2      2.244 CV     1
 ASSI {  532}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
      3.200     1.300     1.300 peak   532 spectrum    1 weight  0.10000E+01 volume  0.17506E-02 ppm1      7.980 ppm2      2.070 CV     1
 ASSI {  533}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA1 ))
      6.000     6.000     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.45400E-04 ppm1      7.980 ppm2      3.498 CV     1
 ASSI {  534}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.600     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.32703E-02 ppm1      7.981 ppm2      2.796 CV     1
 ASSI {  536}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.000     2.000     2.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      7.981 ppm2      8.858 CV     1
 ASSI {  537}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.200     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.14108E-02 ppm1      7.982 ppm2      4.478 CV     1
 ASSI {  539}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
      4.700     2.800     1.300 peak   539 spectrum    1 weight  0.10000E+01 volume  0.34371E-03 ppm1      7.983 ppm2      0.797 CV     1
 ASSI {  540}
   (( segid "    " and resid 34   and name HD21))
   (( segid "    " and resid 34   and name HD22))
      2.100     0.500     0.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.10324E-01 ppm1      7.996 ppm2      7.242 CV     1
 ASSI {  541}
   (( segid "    " and resid 34   and name HD21))
   (( segid "    " and resid 34   and name HB3 ))
      3.100     1.200     1.200 peak   541 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      7.997 ppm2      2.949 CV     1
 ASSI {  542}
   (( segid "    " and resid 34   and name HD21))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.30523E-03 ppm1      7.999 ppm2      3.254 CV     1
 ASSI {  543}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.700     2.800     1.300 peak   543 spectrum    1 weight  0.10000E+01 volume  0.28664E-03 ppm1      8.006 ppm2      0.929 CV     1
 ASSI {  544}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      2.100     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.15134E-01 ppm1      8.006 ppm2      3.939 CV     1
 ASSI {  547}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      4.400     2.400     1.600 peak   547 spectrum    1 weight  0.10000E+01 volume  0.60598E-03 ppm1      8.008 ppm2      1.856 CV     1
 ASSI {  548}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      4.700     2.800     1.300 peak   548 spectrum    1 weight  0.10000E+01 volume  0.44695E-03 ppm1      8.008 ppm2      2.542 CV     1
 ASSI {  549}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.600     0.800     0.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.50209E-02 ppm1      8.009 ppm2      2.104 CV     1
 OR {  549}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  550}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.200     2.200     1.800 peak   550 spectrum    1 weight  0.10000E+01 volume  0.33666E-03 ppm1      8.009 ppm2      3.286 CV     1
 ASSI {  551}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      3.400     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.35397E-03 ppm1      8.009 ppm2      0.418 CV     1
 ASSI {  552}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   552 spectrum    1 weight  0.10000E+01 volume  0.12761E-02 ppm1      8.009 ppm2      3.646 CV     1
 ASSI {  553}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      4.500     2.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.50274E-03 ppm1      8.010 ppm2      2.369 CV     1
 ASSI {  554}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      3.500     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.27830E-03 ppm1      8.010 ppm2      1.347 CV     1
 ASSI {  555}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      8.010 ppm2      4.342 CV     1
 ASSI {  556}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.55978E-02 ppm1      8.011 ppm2      3.815 CV     1
 ASSI {  557}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.200     1.200 peak   557 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      8.043 ppm2      8.904 CV     1
 ASSI {  558}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.92338E-03 ppm1      8.043 ppm2      4.955 CV     1
 ASSI {  559}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.14428E-02 ppm1      8.043 ppm2      4.553 CV     1
 ASSI {  560}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.700     0.900     0.900 peak   560 spectrum    1 weight  0.10000E+01 volume  0.49568E-02 ppm1      8.043 ppm2      2.196 CV     1
 OR {  560}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG3 ))
 ASSI {  561}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.78234E-02 ppm1      8.043 ppm2      2.009 CV     1
 OR {  561}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  562}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.47516E-02 ppm1      8.044 ppm2      4.210 CV     1
 ASSI {  563}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.91055E-03 ppm1      8.044 ppm2      3.188 CV     1
 OR {  563}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  564}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     3.400     2.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.11863E-02 ppm1      8.046 ppm2      8.607 CV     1
 ASSI {  568}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.53608E-02 ppm1      8.058 ppm2      3.992 CV     1
 ASSI {  570}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      4.700     2.800     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.49504E-03 ppm1      8.059 ppm2      2.509 CV     1
 ASSI {  571}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.62459E-03 ppm1      8.060 ppm2      5.058 CV     1
 ASSI {  572}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      2.400     0.700     0.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.71179E-02 ppm1      8.060 ppm2      1.349 CV     1
 ASSI {  573}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      2.900     1.100     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.25970E-02 ppm1      8.060 ppm2      1.195 CV     1
 ASSI {  575}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      3.800     1.800     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.58801E-03 ppm1      8.060 ppm2      0.906 CV     1
 ASSI {  577}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.500     2.600     1.500 peak   577 spectrum    1 weight  0.10000E+01 volume  0.52133E-03 ppm1      8.062 ppm2      0.428 CV     1
 ASSI {  578}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.000     2.000     2.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.40719E-03 ppm1      8.065 ppm2      3.698 CV     1
 OR {  578}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
 ASSI {  579}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HE22))
      5.500     3.700     0.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.23598E-03 ppm1      8.154 ppm2      6.824 CV     1
 ASSI {  581}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak   581 spectrum    1 weight  0.10000E+01 volume  0.39693E-03 ppm1      8.156 ppm2      4.980 CV     1
 ASSI {  582}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
      3.800     1.800     1.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.51492E-03 ppm1      8.157 ppm2      7.335 CV     1
 ASSI {  583}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.000     2.000     4.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.15134E-01 ppm1      8.158 ppm2      3.687 CV     1
 ASSI {  584}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      2.700     0.900     0.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.43669E-02 ppm1      8.158 ppm2      1.096 CV     1
 ASSI {  586}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.300     0.700     0.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.94904E-02 ppm1      8.158 ppm2      0.841 CV     1
 ASSI {  587}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      4.600     2.700     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.21097E-03 ppm1      8.168 ppm2      3.068 CV     1
 ASSI {  588}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      3.300     1.400     1.400 peak   588 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      8.172 ppm2      1.399 CV     1
 ASSI {  589}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      4.000     2.000     2.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.55661E-03 ppm1      8.173 ppm2      1.147 CV     1
 ASSI {  591}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.500     1.500     1.500 peak   591 spectrum    1 weight  0.10000E+01 volume  0.89777E-03 ppm1      8.176 ppm2      4.205 CV     1
 ASSI {  592}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      5.000     3.100     1.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.21353E-03 ppm1      8.178 ppm2      0.820 CV     1
 ASSI {  593}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.300     1.400     1.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      8.178 ppm2      3.977 CV     1
 OR {  593}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI {  595}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.200     1.200 peak   595 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      8.179 ppm2      4.505 CV     1
 ASSI {  596}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.43669E-03 ppm1      8.179 ppm2      4.217 CV     1
 ASSI {  597}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.500     1.500     1.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.92982E-03 ppm1      8.179 ppm2      1.827 CV     1
 ASSI {  598}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.400     1.400     1.400 peak   598 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      8.179 ppm2      3.901 CV     1
 OR {  598}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
 ASSI {  599}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      4.100     2.100     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.51364E-03 ppm1      8.180 ppm2      3.873 CV     1
 OR {  599}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  600}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA1 ))
      2.300     0.600     0.600 peak   600 spectrum    1 weight  0.10000E+01 volume  0.91055E-02 ppm1      8.180 ppm2      3.494 CV     1
 ASSI {  601}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      4.400     2.500     1.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.46042E-03 ppm1      8.180 ppm2      2.780 CV     1
 ASSI {  603}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      8.181 ppm2      4.585 CV     1
 ASSI {  604}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA2 ))
      2.700     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.66691E-02 ppm1      8.181 ppm2      4.263 CV     1
 ASSI {  605}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.400     1.400     1.400 peak   605 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      8.181 ppm2      0.813 CV     1
 ASSI {  606}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.300     1.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.14685E-02 ppm1      8.181 ppm2      2.961 CV     1
 ASSI {  607}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      4.400     2.400     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.44887E-03 ppm1      8.181 ppm2      2.623 CV     1
 ASSI {  608}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      4.400     2.400     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.57201E-03 ppm1      8.182 ppm2      1.396 CV     1
 ASSI {  609}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   609 spectrum    1 weight  0.10000E+01 volume  0.57906E-03 ppm1      8.182 ppm2      9.077 CV     1
 ASSI {  610}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HD3 ))
      4.100     2.100     1.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.73101E-03 ppm1      8.201 ppm2      3.440 CV     1
 ASSI {  611}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA2 ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.35589E-02 ppm1      8.201 ppm2      4.373 CV     1
 ASSI {  612}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.700     0.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.10452E-01 ppm1      8.201 ppm2      4.218 CV     1
 ASSI {  613}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA1 ))
      2.400     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.77590E-02 ppm1      8.202 ppm2      3.796 CV     1
 ASSI {  616}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 15   and name HE21))
      2.700     2.700     3.300 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14556E-02 ppm1      8.218 ppm2      7.748 CV     1
 ASSI {  617}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.36743E-02 ppm1      8.224 ppm2      4.308 CV     1
 ASSI {  618}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      3.000     1.100     1.100 peak   618 spectrum    1 weight  0.10000E+01 volume  0.32960E-02 ppm1      8.224 ppm2      3.183 CV     1
 ASSI {  619}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HG12))
      2.900     1.000     1.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.22315E-02 ppm1      8.224 ppm2      1.441 CV     1
 ASSI {  620}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 111  and name HG13))
      2.300     2.300     3.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.35461E-02 ppm1      8.224 ppm2      0.836 CV     1
 OR {  620}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI {  621}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.100     0.600     0.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.14171E-01 ppm1      8.225 ppm2      4.555 CV     1
 ASSI {  622}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.57775E-02 ppm1      8.225 ppm2      1.852 CV     1
 ASSI {  623}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.89133E-03 ppm1      8.225 ppm2      8.820 CV     1
 ASSI {  624}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.600     1.600     1.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.12568E-02 ppm1      8.225 ppm2      7.412 CV     1
 ASSI {  625}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.900     1.900     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.71179E-03 ppm1      8.225 ppm2      8.714 CV     1
 ASSI {  626}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.200     0.600     0.600 peak   626 spectrum    1 weight  0.10000E+01 volume  0.86566E-02 ppm1      8.226 ppm2      2.205 CV     1
 ASSI {  628}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.400     2.400     1.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.38667E-03 ppm1      8.227 ppm2      9.309 CV     1
 ASSI {  629}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.900     1.900     1.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.64125E-03 ppm1      8.228 ppm2      8.959 CV     1
 ASSI {  630}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.000     0.500     0.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.87211E-02 ppm1      8.228 ppm2      4.888 CV     1
 ASSI {  633}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      2.200     0.600     0.600 peak   633 spectrum    1 weight  0.10000E+01 volume  0.71179E-02 ppm1      8.228 ppm2      0.813 CV     1
 ASSI {  634}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      3.700     1.700     1.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18147E-02 ppm1      8.228 ppm2      0.507 CV     1
 ASSI {  635}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      3.900     1.900     1.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.38988E-03 ppm1      8.228 ppm2      6.705 CV     1
 ASSI {  637}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      5.400     3.600     0.600 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15390E-03 ppm1      8.230 ppm2      5.628 CV     1
 ASSI {  638}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      4.800     2.900     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.30588E-03 ppm1      8.234 ppm2      1.181 CV     1
 ASSI {  639}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 39   and name HB% )
      6.000     4.900     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.65408E-04 ppm1      8.236 ppm2      1.196 CV     1
 ASSI {  641}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      4.300     2.300     1.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.56748E-03 ppm1      8.239 ppm2      2.364 CV     1
 ASSI {  642}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   642 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      8.240 ppm2      5.053 CV     1
 ASSI {  643}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      4.400     2.500     1.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.39373E-03 ppm1      8.240 ppm2      1.069 CV     1
 ASSI {  644}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      3.300     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.11991E-02 ppm1      8.241 ppm2      7.447 CV     1
 ASSI {  645}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.71179E-02 ppm1      8.241 ppm2      3.167 CV     1
 OR {  645}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  646}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.200     2.200     1.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.41168E-03 ppm1      8.241 ppm2      0.431 CV     1
 ASSI {  647}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.58419E-02 ppm1      8.242 ppm2      8.845 CV     1
 ASSI {  649}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 60   and name HE22))
      3.500     1.600     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      8.242 ppm2      6.494 CV     1
 ASSI {  650}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   650 spectrum    1 weight  0.10000E+01 volume  0.33601E-02 ppm1      8.242 ppm2      4.176 CV     1
 ASSI {  651}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.23982E-02 ppm1      8.242 ppm2      2.926 CV     1
 ASSI {  652}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HE1 ))
      4.600     2.600     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.43605E-03 ppm1      8.243 ppm2      9.655 CV     1
 ASSI {  653}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.700     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14813E-02 ppm1      8.243 ppm2      3.581 CV     1
 ASSI {  654}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.300     2.400     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.50979E-03 ppm1      8.243 ppm2      0.595 CV     1
 ASSI {  655}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      4.200     2.200     1.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.59314E-03 ppm1      8.244 ppm2      2.442 CV     1
 ASSI {  656}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HD21))
      3.400     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.10388E-02 ppm1      8.245 ppm2      7.876 CV     1
 ASSI {  657}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   657 spectrum    1 weight  0.10000E+01 volume  0.16288E-02 ppm1      8.247 ppm2      4.179 CV     1
 ASSI {  658}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.43220E-02 ppm1      8.247 ppm2      3.634 CV     1
 ASSI {  659}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.62263E-02 ppm1      8.248 ppm2      8.061 CV     1
 ASSI {  661}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      8.248 ppm2      3.988 CV     1
 ASSI {  662}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      2.800     1.000     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.26740E-02 ppm1      8.248 ppm2      1.350 CV     1
 ASSI {  663}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      2.200     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.11030E-01 ppm1      8.248 ppm2      0.430 CV     1
 ASSI {  664}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.73746E-03 ppm1      8.249 ppm2      7.150 CV     1
 ASSI {  665}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.000     2.000     2.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.80156E-03 ppm1      8.249 ppm2      0.913 CV     1
 ASSI {  666}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HD22))
      4.000     2.000     2.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.40911E-03 ppm1      8.249 ppm2      6.913 CV     1
 ASSI {  667}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.42450E-03 ppm1      8.249 ppm2      5.054 CV     1
 ASSI {  668}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.800     4.300     0.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.88494E-04 ppm1      8.249 ppm2      2.602 CV     1
 OR {  668}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {  669}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
      4.700     2.700     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.40847E-03 ppm1      8.249 ppm2      0.795 CV     1
 ASSI {  670}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      3.600     1.600     1.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.87849E-03 ppm1      8.251 ppm2      1.381 CV     1
 ASSI {  671}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     3.500     2.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.15326E-02 ppm1      8.251 ppm2      4.773 CV     1
 ASSI {  673}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.200     0.600     0.600 peak   673 spectrum    1 weight  0.10000E+01 volume  0.82078E-02 ppm1      8.252 ppm2      5.255 CV     1
 ASSI {  674}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.300     0.700     0.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.78873E-02 ppm1      8.252 ppm2      4.200 CV     1
 ASSI {  675}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.100     1.200     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.20904E-02 ppm1      8.252 ppm2      2.448 CV     1
 ASSI {  676}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
      2.800     0.900     0.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.30716E-02 ppm1      8.252 ppm2      2.071 CV     1
 ASSI {  677}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.800     2.900     1.200 peak   677 spectrum    1 weight  0.10000E+01 volume  0.30395E-03 ppm1      8.252 ppm2      1.640 CV     1
 ASSI {  678}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HG2 ))
      3.000     1.100     1.100 peak   678 spectrum    1 weight  0.10000E+01 volume  0.25714E-02 ppm1      8.253 ppm2      2.245 CV     1
 ASSI {  679}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      4.600     2.600     1.400 peak   679 spectrum    1 weight  0.10000E+01 volume  0.15582E-03 ppm1      8.253 ppm2      3.144 CV     1
 OR {  679}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  681}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.22956E-02 ppm1      8.254 ppm2      3.549 CV     1
 ASSI {  682}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.98754E-03 ppm1      8.272 ppm2      4.433 CV     1
 ASSI {  683}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG13))
      4.600     2.700     1.400 peak   683 spectrum    1 weight  0.10000E+01 volume  0.26163E-03 ppm1      8.274 ppm2      1.387 CV     1
 OR {  683}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG12))
 ASSI {  684}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.12504E-02 ppm1      8.275 ppm2      4.212 CV     1
 ASSI {  685}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     1.700     1.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.66047E-03 ppm1      8.275 ppm2      3.426 CV     1
 ASSI {  686}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.900     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.23470E-02 ppm1      8.277 ppm2      3.982 CV     1
 ASSI {  687}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.200     1.300     1.300 peak   687 spectrum    1 weight  0.10000E+01 volume  0.14749E-02 ppm1      8.277 ppm2      2.450 CV     1
 ASSI {  688}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak   688 spectrum    1 weight  0.10000E+01 volume  0.19430E-02 ppm1      8.279 ppm2      8.474 CV     1
 ASSI {  689}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak   689 spectrum    1 weight  0.10000E+01 volume  0.25522E-02 ppm1      8.279 ppm2      3.204 CV     1
 ASSI {  690}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.25522E-02 ppm1      8.279 ppm2      4.625 CV     1
 ASSI {  691}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.500     1.500 peak   691 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      8.279 ppm2      3.265 CV     1
 ASSI {  693}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak   693 spectrum    1 weight  0.10000E+01 volume  0.24752E-02 ppm1      8.281 ppm2      7.544 CV     1
 ASSI {  695}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.400     2.400     1.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.58736E-03 ppm1      8.282 ppm2      9.252 CV     1
 ASSI {  696}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.28022E-02 ppm1      8.282 ppm2      4.343 CV     1
 ASSI {  697}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      3.500     1.500     1.500 peak   697 spectrum    1 weight  0.10000E+01 volume  0.15711E-02 ppm1      8.282 ppm2      4.197 CV     1
 ASSI {  698}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      3.100     1.200     1.200 peak   698 spectrum    1 weight  0.10000E+01 volume  0.19109E-02 ppm1      8.282 ppm2      3.751 CV     1
 ASSI {  699}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     2.500     3.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.30395E-02 ppm1      8.282 ppm2      3.065 CV     1
 ASSI {  700}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.900     1.100     1.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.64764E-02 ppm1      8.282 ppm2      2.683 CV     1
 ASSI {  701}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.400     1.400     1.400 peak   701 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      8.282 ppm2      1.850 CV     1
 ASSI {  702}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      3.700     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.17121E-02 ppm1      8.282 ppm2      0.920 CV     1
 ASSI {  705}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.000     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.23534E-02 ppm1      8.285 ppm2      4.249 CV     1
 ASSI {  706}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.800     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.47388E-02 ppm1      8.285 ppm2      4.062 CV     1
 ASSI {  707}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.300     1.400     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.17314E-02 ppm1      8.285 ppm2      2.035 CV     1
 ASSI {  708}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.40399E-03 ppm1      8.285 ppm2      2.108 CV     1
 ASSI {  709}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.900     3.000     1.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.18853E-03 ppm1      8.285 ppm2      6.996 CV     1
 ASSI {  710}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.200     0.600     0.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.92982E-02 ppm1      8.286 ppm2      7.553 CV     1
 ASSI {  711}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.24816E-02 ppm1      8.286 ppm2      2.199 CV     1
 ASSI {  712}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.75668E-02 ppm1      8.286 ppm2      1.516 CV     1
 ASSI {  713}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      2.900     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.25650E-02 ppm1      8.286 ppm2      1.032 CV     1
 ASSI {  714}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
      4.500     2.600     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.69896E-03 ppm1      8.286 ppm2      0.719 CV     1
 ASSI {  715}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   715 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      8.287 ppm2      3.905 CV     1
 ASSI {  716}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      3.200     3.200     2.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.49697E-03 ppm1      8.287 ppm2      0.862 CV     1
 ASSI {  717}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      8.294 ppm2      5.608 CV     1
 ASSI {  718}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12633E-01 ppm1      8.294 ppm2      4.806 CV     1
 ASSI {  719}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.000     3.000     3.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.68613E-02 ppm1      8.294 ppm2      4.095 CV     1
 ASSI {  720}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      2.000     2.000     4.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.89777E-02 ppm1      8.294 ppm2      3.742 CV     1
 ASSI {  722}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      4.900     3.000     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.11222E-03 ppm1      8.295 ppm2      8.824 CV     1
 ASSI {  723}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      3.500     1.500     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.29177E-03 ppm1      8.295 ppm2      0.834 CV     1
 ASSI {  724}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HG2 ))
      5.100     3.300     0.900 peak   724 spectrum    1 weight  0.10000E+01 volume  0.98109E-04 ppm1      8.297 ppm2      1.332 CV     1
 OR {  724}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HG3 ))
 ASSI {  725}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      5.300     3.500     0.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.22700E-03 ppm1      8.320 ppm2      6.627 CV     1
 ASSI {  726}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
      4.100     2.100     1.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      8.321 ppm2      7.335 CV     1
 ASSI {  727}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HD22))
      4.900     3.000     1.100 peak   727 spectrum    1 weight  0.10000E+01 volume  0.37321E-03 ppm1      8.323 ppm2      6.151 CV     1
 ASSI {  728}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.600     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.26868E-02 ppm1      8.324 ppm2      2.950 CV     1
 ASSI {  729}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      4.700     2.800     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.46170E-03 ppm1      8.325 ppm2      2.219 CV     1
 OR {  729}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  730}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.600     1.600     1.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      8.325 ppm2      1.093 CV     1
 ASSI {  731}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.88494E-02 ppm1      8.325 ppm2      4.320 CV     1
 ASSI {  732}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.200     0.600     0.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.10709E-01 ppm1      8.325 ppm2      3.685 CV     1
 OR {  732}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  733}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      2.300     0.700     0.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.58162E-02 ppm1      8.327 ppm2      7.200 CV     1
 ASSI {  734}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HD3 ))
      4.100     2.100     1.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.13787E-02 ppm1      8.331 ppm2      3.553 CV     1
 OR {  734}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
 ASSI {  735}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA1 ))
      2.600     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.67330E-02 ppm1      8.332 ppm2      3.984 CV     1
 ASSI {  736}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     2.800     3.200 peak   736 spectrum    1 weight  0.10000E+01 volume  0.32575E-02 ppm1      8.333 ppm2      4.172 CV     1
 ASSI {  737}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      3.600     1.600     1.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      8.333 ppm2      3.731 CV     1
 ASSI {  740}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      4.100     2.100     1.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.77590E-03 ppm1      8.340 ppm2      5.322 CV     1
 ASSI {  743}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.200     2.200     3.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.82722E-02 ppm1      8.343 ppm2      1.989 CV     1
 ASSI {  744}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      2.100     0.500     0.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.11863E-01 ppm1      8.343 ppm2      1.089 CV     1
 ASSI {  745}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      2.800     1.000     1.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.37513E-02 ppm1      8.343 ppm2      0.829 CV     1
 ASSI {  746}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      2.800     1.000     1.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.36615E-02 ppm1      8.344 ppm2      1.835 CV     1
 ASSI {  747}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
      3.500     1.600     1.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      8.350 ppm2      1.815 CV     1
 ASSI {  748}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.900     1.100     1.100 peak   748 spectrum    1 weight  0.10000E+01 volume  0.19878E-02 ppm1      8.351 ppm2      7.979 CV     1
 ASSI {  749}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.300     0.700     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.66047E-02 ppm1      8.351 ppm2      4.477 CV     1
 ASSI {  750}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.200     0.600     0.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.84005E-02 ppm1      8.351 ppm2      4.017 CV     1
 ASSI {  751}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 86   and name HG2 ))
      2.700     0.900     0.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.64764E-02 ppm1      8.351 ppm2      2.257 CV     1
 ASSI {  752}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      4.700     2.800     1.300 peak   752 spectrum    1 weight  0.10000E+01 volume  0.34627E-03 ppm1      8.352 ppm2      3.374 CV     1
 ASSI {  753}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
      3.400     1.500     1.500 peak   753 spectrum    1 weight  0.10000E+01 volume  0.28215E-02 ppm1      8.352 ppm2      2.045 CV     1
 ASSI {  754}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.300     1.400     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      8.353 ppm2      3.600 CV     1
 ASSI {  756}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HB3 ))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.43797E-03 ppm1      8.358 ppm2      2.478 CV     1
 ASSI {  759}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 93   and name HD% )
      4.800     2.900     1.200 peak   759 spectrum    1 weight  0.10000E+01 volume  0.13402E-03 ppm1      8.361 ppm2      7.147 CV     1
 ASSI {  761}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA2 ))
      2.600     0.900     0.900 peak   761 spectrum    1 weight  0.10000E+01 volume  0.37064E-02 ppm1      8.362 ppm2      4.643 CV     1
 ASSI {  762}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      2.600     0.800     0.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.87849E-02 ppm1      8.363 ppm2      3.914 CV     1
 ASSI {  763}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      2.900     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.24496E-02 ppm1      8.363 ppm2      1.516 CV     1
 ASSI {  764}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.700     1.700     1.700 peak   764 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      8.367 ppm2      0.987 CV     1
 ASSI {  766}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.400     0.700     0.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.63098E-02 ppm1      8.369 ppm2      2.899 CV     1
 ASSI {  767}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.14877E-02 ppm1      8.369 ppm2      1.100 CV     1
 ASSI {  769}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.41681E-02 ppm1      8.370 ppm2      6.876 CV     1
 ASSI {  770}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.300     0.700     0.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      8.370 ppm2      3.041 CV     1
 ASSI {  771}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 9    and name HD22))
      3.900     1.900     1.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.76307E-03 ppm1      8.371 ppm2      6.141 CV     1
 ASSI {  772}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.600     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.37064E-02 ppm1      8.372 ppm2      2.011 CV     1
 ASSI {  773}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.200     2.200     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.71818E-03 ppm1      8.372 ppm2      0.161 CV     1
 ASSI {  774}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.500     2.500     1.500 peak   774 spectrum    1 weight  0.10000E+01 volume  0.37321E-03 ppm1      8.372 ppm2     -0.173 CV     1
 ASSI {  775}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      5.100     3.200     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.21482E-03 ppm1      8.373 ppm2      0.787 CV     1
 ASSI {  776}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.24367E-02 ppm1      8.376 ppm2      4.400 CV     1
 ASSI {  777}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.92982E-03 ppm1      8.376 ppm2      5.213 CV     1
 ASSI {  779}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.200     0.600     0.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12761E-01 ppm1      8.378 ppm2      5.609 CV     1
 ASSI {  780}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
      2.700     0.900     0.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.35204E-02 ppm1      8.378 ppm2      1.632 CV     1
 OR {  780}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI {  781}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG3 ))
      3.400     1.400     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.15775E-02 ppm1      8.378 ppm2      1.355 CV     1
 OR {  781}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG2 ))
 ASSI {  782}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 83   and name HG13))
      3.500     1.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.61111E-03 ppm1      8.378 ppm2      0.977 CV     1
 ASSI {  784}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 83   and name HG12))
      3.100     1.200     1.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.31806E-02 ppm1      8.379 ppm2      1.173 CV     1
 ASSI {  785}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.900     1.000     1.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.24752E-02 ppm1      8.381 ppm2      4.644 CV     1
 ASSI {  787}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.32447E-02 ppm1      8.395 ppm2      8.880 CV     1
 ASSI {  788}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.88494E-03 ppm1      8.397 ppm2      9.071 CV     1
 ASSI {  789}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.800     1.800     1.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      8.398 ppm2      0.814 CV     1
 ASSI {  792}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.400     0.700     0.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      8.400 ppm2      1.852 CV     1
 ASSI {  793}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      2.600     0.900     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.43476E-02 ppm1      8.400 ppm2      0.539 CV     1
 ASSI {  794}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      8.408 ppm2      4.945 CV     1
 ASSI {  796}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
      3.500     1.500     1.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.36295E-02 ppm1      8.409 ppm2      4.018 CV     1
 ASSI {  797}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.23918E-02 ppm1      8.409 ppm2      3.259 CV     1
 ASSI {  798}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.27381E-02 ppm1      8.409 ppm2      3.155 CV     1
 ASSI {  799}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.36615E-02 ppm1      8.409 ppm2      2.458 CV     1
 ASSI {  800}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.600     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.42322E-02 ppm1      8.409 ppm2      1.073 CV     1
 ASSI {  801}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      4.500     2.500     1.500 peak   801 spectrum    1 weight  0.10000E+01 volume  0.33152E-03 ppm1      8.409 ppm2      7.462 CV     1
 ASSI {  802}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak   802 spectrum    1 weight  0.10000E+01 volume  0.66047E-03 ppm1      8.410 ppm2      4.560 CV     1
 ASSI {  804}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.85283E-02 ppm1      8.411 ppm2      8.818 CV     1
 ASSI {  806}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.700     2.700     1.300 peak   806 spectrum    1 weight  0.10000E+01 volume  0.26419E-03 ppm1      8.414 ppm2      6.919 CV     1
 ASSI {  807}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HD21))
      4.200     2.200     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.45785E-03 ppm1      8.415 ppm2      7.746 CV     1
 ASSI {  809}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   809 spectrum    1 weight  0.10000E+01 volume  0.96187E-02 ppm1      8.425 ppm2      4.727 CV     1
 ASSI {  810}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.000     1.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.18019E-02 ppm1      8.425 ppm2      4.223 CV     1
 ASSI {  811}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.50723E-02 ppm1      8.425 ppm2      1.322 CV     1
 ASSI {  812}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.700     0.700 peak   812 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.425 ppm2      1.148 CV     1
 ASSI {  813}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.100     1.200     1.200 peak   813 spectrum    1 weight  0.10000E+01 volume  0.29690E-02 ppm1      8.425 ppm2      0.821 CV     1
 ASSI {  814}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      4.000     2.000     2.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.91055E-03 ppm1      8.425 ppm2      0.110 CV     1
 ASSI {  816}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      5.800     4.200     0.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.17378E-03 ppm1      8.425 ppm2      6.753 CV     1
 ASSI {  817}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.900     0.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.27574E-02 ppm1      8.426 ppm2      8.887 CV     1
 ASSI {  818}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.18981E-02 ppm1      8.427 ppm2      4.870 CV     1
 ASSI {  819}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.800     3.800     2.200 peak   819 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      8.427 ppm2      0.302 CV     1
 ASSI {  820}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      8.427 ppm2      1.995 CV     1
 ASSI {  821}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.44374E-03 ppm1      8.428 ppm2      9.479 CV     1
 ASSI {  822}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      4.400     2.400     1.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.86566E-03 ppm1      8.428 ppm2      1.837 CV     1
 ASSI {  823}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak   823 spectrum    1 weight  0.10000E+01 volume  0.34243E-03 ppm1      8.429 ppm2      5.335 CV     1
 ASSI {  824}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.200     2.200     1.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.41873E-03 ppm1      8.429 ppm2      1.674 CV     1
 ASSI {  825}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     6.000     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.30074E-04 ppm1      8.479 ppm2      7.414 CV     1
 ASSI {  826}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.100     1.200     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.14300E-02 ppm1      8.484 ppm2      2.300 CV     1
 ASSI {  827}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.500     1.500     1.500 peak   827 spectrum    1 weight  0.10000E+01 volume  0.24496E-02 ppm1      8.486 ppm2      1.807 CV     1
 ASSI {  828}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 19   and name HD% )
      3.300     1.400     1.400 peak   828 spectrum    1 weight  0.10000E+01 volume  0.14813E-02 ppm1      8.486 ppm2      7.254 CV     1
 ASSI {  829}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.69896E-02 ppm1      8.487 ppm2      5.193 CV     1
 ASSI {  830}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.800     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.22636E-02 ppm1      8.488 ppm2      1.642 CV     1
 ASSI {  831}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      3.000     1.100     1.100 peak   831 spectrum    1 weight  0.10000E+01 volume  0.22508E-02 ppm1      8.488 ppm2      1.371 CV     1
 ASSI {  832}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      4.500     2.500     1.500 peak   832 spectrum    1 weight  0.10000E+01 volume  0.32255E-03 ppm1      8.488 ppm2      3.448 CV     1
 ASSI {  833}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11799E-02 ppm1      8.490 ppm2      4.588 CV     1
 ASSI {  835}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      3.900     1.900     1.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      8.492 ppm2      0.965 CV     1
 ASSI {  836}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
      4.000     2.000     2.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.34371E-03 ppm1      8.492 ppm2      1.917 CV     1
 ASSI {  837}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.100     2.100     1.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.21418E-03 ppm1      8.492 ppm2      2.757 CV     1
 ASSI {  839}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
      4.300     2.300     1.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.73101E-03 ppm1      8.493 ppm2      4.203 CV     1
 ASSI {  840}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      3.000     1.100     1.100 peak   840 spectrum    1 weight  0.10000E+01 volume  0.18789E-02 ppm1      8.493 ppm2      3.732 CV     1
 ASSI {  841}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA2 ))
      3.700     1.700     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.93621E-03 ppm1      8.493 ppm2      4.369 CV     1
 ASSI {  843}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.17185E-02 ppm1      8.493 ppm2      3.481 CV     1
 ASSI {  844}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      4.200     2.200     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.29433E-03 ppm1      8.493 ppm2      4.002 CV     1
 ASSI {  845}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HD% )
      4.100     2.100     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.27830E-03 ppm1      8.493 ppm2      7.278 CV     1
 ASSI {  846}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.600     4.600     1.400 peak   846 spectrum    1 weight  0.10000E+01 volume  0.40783E-03 ppm1      8.493 ppm2      7.642 CV     1
 ASSI {  847}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.000     1.100     1.100 peak   847 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      8.494 ppm2      2.924 CV     1
 ASSI {  848}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.21738E-02 ppm1      8.494 ppm2      4.611 CV     1
 ASSI {  849}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.200     2.200     1.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.59893E-03 ppm1      8.494 ppm2      4.206 CV     1
 ASSI {  850}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.500     0.800     0.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.32191E-02 ppm1      8.494 ppm2      1.889 CV     1
 OR {  850}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  851}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.900     1.900     1.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.11030E-02 ppm1      8.495 ppm2      2.517 CV     1
 ASSI {  852}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      8.496 ppm2      4.935 CV     1
 ASSI {  854}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      4.000     2.000     2.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.68613E-03 ppm1      8.496 ppm2      3.714 CV     1
 ASSI {  855}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.000     1.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.18468E-02 ppm1      8.497 ppm2      5.762 CV     1
 ASSI {  856}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.500     0.800     0.800 peak   856 spectrum    1 weight  0.10000E+01 volume  0.57070E-02 ppm1      8.497 ppm2      3.943 CV     1
 ASSI {  857}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      4.500     2.600     1.500 peak   857 spectrum    1 weight  0.10000E+01 volume  0.67330E-03 ppm1      8.497 ppm2      3.127 CV     1
 ASSI {  858}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HD21))
      4.500     2.600     1.500 peak   858 spectrum    1 weight  0.10000E+01 volume  0.33666E-03 ppm1      8.497 ppm2      7.804 CV     1
 ASSI {  859}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
      4.400     2.500     1.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.39373E-03 ppm1      8.497 ppm2      0.789 CV     1
 ASSI {  860}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.700     2.700     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.37064E-03 ppm1      8.498 ppm2      9.015 CV     1
 ASSI {  861}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.500     1.500     1.500 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      8.498 ppm2      3.438 CV     1
 ASSI {  863}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.63098E-03 ppm1      8.500 ppm2      4.430 CV     1
 ASSI {  865}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.900     1.100     1.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      8.539 ppm2      3.808 CV     1
 ASSI {  868}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.600     1.600     1.600 peak   868 spectrum    1 weight  0.10000E+01 volume  0.67330E-03 ppm1      8.543 ppm2      3.594 CV     1
 ASSI {  869}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      4.400     2.400     1.600 peak   869 spectrum    1 weight  0.10000E+01 volume  0.22315E-03 ppm1      8.544 ppm2      2.678 CV     1
 ASSI {  870}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.400     2.500     1.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.18532E-03 ppm1      8.546 ppm2      3.415 CV     1
 ASSI {  872}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      4.300     2.300     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.49120E-03 ppm1      8.556 ppm2      2.374 CV     1
 ASSI {  873}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.100     0.500     0.500 peak   873 spectrum    1 weight  0.10000E+01 volume  0.15262E-01 ppm1      8.558 ppm2      4.212 CV     1
 ASSI {  874}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.800     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.40527E-02 ppm1      8.558 ppm2      1.928 CV     1
 ASSI {  875}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      2.800     1.000     1.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.34563E-02 ppm1      8.558 ppm2      1.141 CV     1
 ASSI {  876}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.35525E-02 ppm1      8.558 ppm2      0.953 CV     1
 ASSI {  877}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      3.300     1.400     1.400 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      8.558 ppm2      0.756 CV     1
 ASSI {  878}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   878 spectrum    1 weight  0.10000E+01 volume  0.15582E-02 ppm1      8.558 ppm2      5.375 CV     1
 ASSI {  879}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.800     1.800     1.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.42964E-03 ppm1      8.559 ppm2      2.558 CV     1
 ASSI {  881}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.200     2.200     1.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.49183E-03 ppm1      8.564 ppm2      9.007 CV     1
 ASSI {  883}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.500     1.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      8.583 ppm2      2.637 CV     1
 OR {  883}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {  886}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA2 ))
      2.900     1.000     1.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.39758E-02 ppm1      8.584 ppm2      4.337 CV     1
 ASSI {  887}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA1 ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.76307E-02 ppm1      8.584 ppm2      3.880 CV     1
 ASSI {  888}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.300     2.300     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.60854E-03 ppm1      8.585 ppm2      6.931 CV     1
 ASSI {  889}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak   889 spectrum    1 weight  0.10000E+01 volume  0.39116E-02 ppm1      8.585 ppm2      7.036 CV     1
 ASSI {  890}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      6.000     5.100     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.12504E-03 ppm1      8.585 ppm2     -0.186 CV     1
 ASSI {  891}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      4.600     2.600     1.400 peak   891 spectrum    1 weight  0.10000E+01 volume  0.27189E-03 ppm1      8.586 ppm2      0.985 CV     1
 ASSI {  892}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
      2.500     0.800     0.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.43990E-02 ppm1      8.587 ppm2      4.205 CV     1
 ASSI {  893}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.000     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.17955E-02 ppm1      8.587 ppm2      3.184 CV     1
 ASSI {  894}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.600     0.900     0.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.29626E-02 ppm1      8.587 ppm2      1.070 CV     1
 ASSI {  896}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.44631E-03 ppm1      8.587 ppm2      6.038 CV     1
 ASSI {  898}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
      2.600     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.45849E-02 ppm1      8.588 ppm2      4.017 CV     1
 ASSI {  899}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      3.000     1.100     1.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.20841E-02 ppm1      8.588 ppm2      3.736 CV     1
 ASSI {  900}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      2.900     1.000     1.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.26868E-02 ppm1      8.588 ppm2      2.498 CV     1
 ASSI {  901}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.800     2.900     1.200 peak   901 spectrum    1 weight  0.10000E+01 volume  0.15326E-03 ppm1      8.588 ppm2      0.432 CV     1
 ASSI {  902}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      5.300     3.500     0.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.12056E-03 ppm1      8.588 ppm2      2.203 CV     1
 ASSI {  903}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.000     2.000     2.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.37769E-03 ppm1      8.588 ppm2      0.597 CV     1
 ASSI {  904}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.85927E-03 ppm1      8.589 ppm2      4.558 CV     1
 ASSI {  905}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.000     2.000     4.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.16929E-01 ppm1      8.594 ppm2      8.788 CV     1
 ASSI {  906}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.49055E-03 ppm1      8.651 ppm2      8.865 CV     1
 ASSI {  907}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG13))
      3.500     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      8.655 ppm2      1.119 CV     1
 ASSI {  908}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.900     1.000     1.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.23982E-02 ppm1      8.658 ppm2      5.270 CV     1
 ASSI {  909}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.300     0.700     0.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.84644E-02 ppm1      8.658 ppm2      4.646 CV     1
 ASSI {  910}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.700     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.38924E-02 ppm1      8.658 ppm2      1.625 CV     1
 OR {  910}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
 ASSI {  911}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG3 ))
      3.100     1.200     1.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.23085E-02 ppm1      8.658 ppm2      1.356 CV     1
 OR {  911}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG2 ))
 ASSI {  912}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HG2%)
      3.700     1.700     1.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.13402E-02 ppm1      8.658 ppm2      0.977 CV     1
 ASSI {  913}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB  ))
      2.500     0.800     0.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.56044E-02 ppm1      8.659 ppm2      3.851 CV     1
 ASSI {  914}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.600     2.600     1.400 peak   914 spectrum    1 weight  0.10000E+01 volume  0.29946E-03 ppm1      8.660 ppm2      9.561 CV     1
 ASSI {  915}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.600     2.600     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.27445E-03 ppm1      8.661 ppm2      9.293 CV     1
 ASSI {  917}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak   917 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      8.708 ppm2      9.288 CV     1
 ASSI {  919}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG12))
      3.300     3.300     2.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.38859E-03 ppm1      8.708 ppm2      1.609 CV     1
 ASSI {  920}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak   920 spectrum    1 weight  0.10000E+01 volume  0.89133E-03 ppm1      8.708 ppm2      5.372 CV     1
 ASSI {  921}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 50   and name HD22))
      3.400     3.400     2.600 peak   921 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      8.709 ppm2      7.023 CV     1
 ASSI {  922}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.800     1.000     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.26933E-02 ppm1      8.709 ppm2      4.545 CV     1
 ASSI {  923}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.200     0.600     0.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.95548E-02 ppm1      8.709 ppm2      4.347 CV     1
 ASSI {  924}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.300     1.300     1.300 peak   924 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      8.709 ppm2      4.172 CV     1
 OR {  924}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  926}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
      3.300     1.400     1.400 peak   926 spectrum    1 weight  0.10000E+01 volume  0.29113E-02 ppm1      8.709 ppm2      0.718 CV     1
 ASSI {  927}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB  ))
      4.000     2.000     2.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.30844E-03 ppm1      8.709 ppm2      1.976 CV     1
 ASSI {  928}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HD2 ))
      3.200     1.300     1.300 peak   928 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      8.710 ppm2      6.866 CV     1
 ASSI {  930}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.700     3.700     2.300 peak   930 spectrum    1 weight  0.10000E+01 volume  0.48863E-03 ppm1      8.714 ppm2      2.661 CV     1
 ASSI {  931}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   931 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      8.754 ppm2      8.410 CV     1
 ASSI {  932}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.300     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.65408E-02 ppm1      8.755 ppm2      1.073 CV     1
 ASSI {  933}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.33024E-02 ppm1      8.756 ppm2      3.256 CV     1
 ASSI {  935}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      2.900     1.000     1.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.23662E-02 ppm1      8.756 ppm2      0.939 CV     1
 ASSI {  936}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      5.500     3.700     0.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.24047E-03 ppm1      8.758 ppm2      0.595 CV     1
 ASSI {  939}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      8.783 ppm2      3.577 CV     1
 ASSI {  940}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD21))
      2.800     1.000     1.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.22508E-02 ppm1      8.784 ppm2      7.975 CV     1
 ASSI {  941}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA2 ))
      2.200     0.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.82078E-02 ppm1      8.784 ppm2      4.342 CV     1
 ASSI {  942}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.21226E-02 ppm1      8.785 ppm2      3.255 CV     1
 ASSI {  944}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA1 ))
      3.200     1.300     1.300 peak   944 spectrum    1 weight  0.10000E+01 volume  0.54570E-02 ppm1      8.786 ppm2      3.882 CV     1
 ASSI {  945}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak   945 spectrum    1 weight  0.10000E+01 volume  0.46554E-03 ppm1      8.789 ppm2      4.556 CV     1
 ASSI {  946}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.15967E-02 ppm1      8.795 ppm2      9.470 CV     1
 ASSI {  948}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      4.000     2.000     2.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.94265E-03 ppm1      8.798 ppm2      1.082 CV     1
 ASSI {  950}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.80795E-03 ppm1      8.800 ppm2      5.333 CV     1
 ASSI {  951}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.700     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.28984E-02 ppm1      8.800 ppm2      3.729 CV     1
 ASSI {  952}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.10004E-01 ppm1      8.801 ppm2      4.958 CV     1
 ASSI {  954}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      4.000     2.000     2.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.75668E-03 ppm1      8.801 ppm2      1.411 CV     1
 ASSI {  955}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      3.400     1.500     1.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      8.801 ppm2      0.598 CV     1
 ASSI {  956}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      4.100     2.100     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.50017E-03 ppm1      8.801 ppm2      0.119 CV     1
 ASSI {  958}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      4.600     2.600     1.400 peak   958 spectrum    1 weight  0.10000E+01 volume  0.25329E-03 ppm1      8.803 ppm2      1.355 CV     1
 ASSI {  959}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.400     1.500     1.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      8.804 ppm2      2.222 CV     1
 ASSI {  961}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.900     1.000     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.26933E-02 ppm1      8.805 ppm2      9.190 CV     1
 ASSI {  962}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.100     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      8.805 ppm2      5.184 CV     1
 ASSI {  963}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.95548E-02 ppm1      8.806 ppm2      5.583 CV     1
 ASSI {  964}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      2.200     0.600     0.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.96826E-02 ppm1      8.806 ppm2      2.126 CV     1
 ASSI {  966}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      4.000     2.000     2.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.14620E-03 ppm1      8.808 ppm2      6.691 CV     1
 OR {  966}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 71   and name HE% )
 ASSI {  967}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HE22))
      4.500     2.500     1.500 peak   967 spectrum    1 weight  0.10000E+01 volume  0.20841E-03 ppm1      8.809 ppm2      6.490 CV     1
 ASSI {  968}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.100     3.100     2.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.39501E-02 ppm1      8.820 ppm2      1.264 CV     1
 ASSI {  969}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.900     1.900     1.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.821 ppm2      9.592 CV     1
 ASSI {  970}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 76   and name HD21))
      3.700     1.800     1.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.41168E-03 ppm1      8.821 ppm2      7.664 CV     1
 ASSI {  971}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      4.600     2.600     1.400 peak   971 spectrum    1 weight  0.10000E+01 volume  0.36230E-03 ppm1      8.822 ppm2      7.931 CV     1
 ASSI {  972}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.18724E-02 ppm1      8.823 ppm2      4.266 CV     1
 ASSI {  973}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      3.300     1.300     1.300 peak   973 spectrum    1 weight  0.10000E+01 volume  0.38026E-02 ppm1      8.823 ppm2      1.518 CV     1
 ASSI {  974}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.100     0.600     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.88494E-02 ppm1      8.823 ppm2      3.888 CV     1
 ASSI {  975}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.200     1.300     1.300 peak   975 spectrum    1 weight  0.10000E+01 volume  0.29754E-02 ppm1      8.823 ppm2      2.604 CV     1
 ASSI {  976}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      2.800     1.000     1.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      8.823 ppm2      0.506 CV     1
 ASSI {  977}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      3.600     1.600     1.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.87211E-03 ppm1      8.823 ppm2      1.136 CV     1
 ASSI {  979}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.51043E-02 ppm1      8.824 ppm2      5.629 CV     1
 ASSI {  980}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.200     0.600     0.600 peak   980 spectrum    1 weight  0.10000E+01 volume  0.11350E-01 ppm1      8.824 ppm2      3.978 CV     1
 OR {  980}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  982}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.29754E-02 ppm1      8.825 ppm2      9.558 CV     1
 ASSI {  983}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.200     0.600     0.600 peak   983 spectrum    1 weight  0.10000E+01 volume  0.10324E-01 ppm1      8.825 ppm2      4.351 CV     1
 ASSI {  985}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 105  and name HB% )
      4.200     2.200     1.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.43156E-03 ppm1      8.825 ppm2      1.519 CV     1
 ASSI {  986}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.29690E-02 ppm1      8.826 ppm2      4.686 CV     1
 ASSI {  987}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 99   and name HG2%)
      2.900     1.100     1.100 peak   987 spectrum    1 weight  0.10000E+01 volume  0.23149E-02 ppm1      8.826 ppm2      0.985 CV     1
 ASSI {  988}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      2.900     1.100     1.100 peak   988 spectrum    1 weight  0.10000E+01 volume  0.42066E-02 ppm1      8.826 ppm2      0.849 CV     1
 ASSI {  989}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.500     1.500     1.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.16737E-02 ppm1      8.826 ppm2      5.277 CV     1
 ASSI {  990}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.23855E-03 ppm1      8.826 ppm2      2.504 CV     1
 ASSI {  992}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.600     1.600     1.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      8.827 ppm2      8.377 CV     1
 ASSI {  996}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
      2.400     0.700     0.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.81439E-02 ppm1      8.839 ppm2      0.791 CV     1
 ASSI {  997}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     2.600     3.400 peak   997 spectrum    1 weight  0.10000E+01 volume  0.34627E-02 ppm1      8.841 ppm2      4.791 CV     1
 ASSI {  998}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.400     0.700     0.700 peak   998 spectrum    1 weight  0.10000E+01 volume  0.70535E-02 ppm1      8.842 ppm2      1.893 CV     1
 ASSI {  999}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.200     0.600     0.600 peak   999 spectrum    1 weight  0.10000E+01 volume  0.11286E-01 ppm1      8.843 ppm2      4.614 CV     1
 ASSI { 1003}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      4.400     2.400     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.27125E-03 ppm1      8.847 ppm2      2.466 CV     1
 ASSI { 1005}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HD21))
      4.000     2.000     2.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.94265E-03 ppm1      8.848 ppm2      7.913 CV     1
 ASSI { 1006}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.52839E-02 ppm1      8.848 ppm2      3.579 CV     1
 ASSI { 1008}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.29305E-02 ppm1      8.849 ppm2      5.056 CV     1
 ASSI { 1009}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.49248E-02 ppm1      8.849 ppm2      2.832 CV     1
 ASSI { 1010}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      3.700     1.800     1.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.89777E-03 ppm1      8.849 ppm2      7.459 CV     1
 ASSI { 1011}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      5.400     3.700     0.600 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.11799E-03 ppm1      8.855 ppm2      1.079 CV     1
 ASSI { 1012}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      5.200     3.400     0.800 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.98754E-04 ppm1      8.856 ppm2      7.937 CV     1
 ASSI { 1013}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.800     3.800     2.200 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.18211E-03 ppm1      8.857 ppm2      0.823 CV     1
 ASSI { 1014}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.900     1.900     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.41745E-03 ppm1      8.859 ppm2      8.168 CV     1
 ASSI { 1015}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.25073E-02 ppm1      8.859 ppm2      4.344 CV     1
 ASSI { 1016}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.100     0.500     0.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.15582E-01 ppm1      8.860 ppm2      4.138 CV     1
 ASSI { 1017}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.300     0.700     0.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.83361E-02 ppm1      8.860 ppm2      3.935 CV     1
 ASSI { 1018}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.800     1.800     1.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.18724E-03 ppm1      8.860 ppm2      1.225 CV     1
 ASSI { 1019}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.100     2.100     1.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.47260E-03 ppm1      8.860 ppm2      7.554 CV     1
 ASSI { 1020}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      2.300     0.700     0.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.97470E-02 ppm1      8.861 ppm2      1.397 CV     1
 ASSI { 1021}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
      4.200     2.200     1.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      8.861 ppm2      1.245 CV     1
 ASSI { 1022}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.500     2.500     1.500 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.35717E-03 ppm1      8.862 ppm2      9.549 CV     1
 ASSI { 1024}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.26419E-02 ppm1      8.863 ppm2      3.498 CV     1
 ASSI { 1025}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      2.200     0.600     0.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.11286E-01 ppm1      8.863 ppm2      1.737 CV     1
 OR { 1025}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1027}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.000     0.500     0.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.23662E-01 ppm1      8.863 ppm2      4.157 CV     1
 OR { 1027}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI { 1029}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.600     0.900     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.50402E-02 ppm1      8.864 ppm2      3.737 CV     1
 ASSI { 1030}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.900     1.100     1.100 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.25201E-02 ppm1      8.864 ppm2      3.997 CV     1
 ASSI { 1032}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.200     2.200     1.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.31998E-03 ppm1      8.865 ppm2      7.555 CV     1
 ASSI { 1033}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.200     0.600     0.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.10196E-01 ppm1      8.865 ppm2      4.286 CV     1
 ASSI { 1034}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.700     1.700     1.700 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.11927E-02 ppm1      8.865 ppm2      2.036 CV     1
 ASSI { 1035}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
      3.500     1.500     1.500 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.15197E-02 ppm1      8.865 ppm2      1.826 CV     1
 ASSI { 1036}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.600     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.18211E-02 ppm1      8.866 ppm2      1.431 CV     1
 ASSI { 1037}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.900     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      8.866 ppm2      2.188 CV     1
 ASSI { 1038}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      2.800     1.000     1.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.35269E-02 ppm1      8.866 ppm2      1.034 CV     1
 ASSI { 1039}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      4.800     2.900     1.200 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.52646E-03 ppm1      8.866 ppm2      0.491 CV     1
 ASSI { 1040}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.500     2.500     1.500 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.29562E-03 ppm1      8.867 ppm2      5.994 CV     1
 ASSI { 1041}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.800     1.800     1.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.82078E-03 ppm1      8.884 ppm2      6.028 CV     1
 ASSI { 1044}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      3.700     1.700     1.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.19943E-02 ppm1      8.890 ppm2      0.596 CV     1
 ASSI { 1045}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.700     1.700     1.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.15903E-02 ppm1      8.890 ppm2      0.113 CV     1
 ASSI { 1046}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      2.700     0.900     0.900 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.60019E-02 ppm1      8.891 ppm2      1.687 CV     1
 ASSI { 1047}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.100     0.600     0.600 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.93621E-02 ppm1      8.891 ppm2      5.333 CV     1
 ASSI { 1048}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.100     1.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.25970E-02 ppm1      8.891 ppm2      1.148 CV     1
 ASSI { 1049}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.300     0.700     0.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.48094E-02 ppm1      8.891 ppm2      1.005 CV     1
 ASSI { 1051}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.800     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.94265E-03 ppm1      8.891 ppm2     -0.186 CV     1
 ASSI { 1052}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      5.100     3.300     0.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.17506E-03 ppm1      8.892 ppm2      9.481 CV     1
 ASSI { 1054}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.900     1.900     1.900 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.68613E-03 ppm1      8.894 ppm2      9.309 CV     1
 ASSI { 1055}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      5.400     3.600     0.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.22636E-03 ppm1      8.894 ppm2      0.279 CV     1
 ASSI { 1056}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.900     0.900 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.45593E-02 ppm1      8.899 ppm2      4.953 CV     1
 ASSI { 1059}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.200     1.300     1.300 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      8.903 ppm2      3.996 CV     1
 ASSI { 1060}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HG3 ))
      4.300     2.300     1.700 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.31485E-03 ppm1      8.906 ppm2      2.216 CV     1
 OR { 1060}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI { 1062}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      5.600     5.600     0.400 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.18468E-03 ppm1      8.934 ppm2      6.166 CV     1
 ASSI { 1063}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.800     3.800     2.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.17185E-03 ppm1      8.935 ppm2      7.640 CV     1
 ASSI { 1064}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     1.100     1.100 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.26484E-02 ppm1      8.937 ppm2      8.055 CV     1
 ASSI { 1065}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.700     1.700     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.60985E-03 ppm1      8.938 ppm2      5.253 CV     1
 ASSI { 1066}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.52261E-02 ppm1      8.938 ppm2      4.226 CV     1
 ASSI { 1067}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.500     0.800     0.800 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.72463E-02 ppm1      8.938 ppm2      2.491 CV     1
 ASSI { 1068}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.24688E-02 ppm1      8.938 ppm2      8.246 CV     1
 ASSI { 1069}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HG3 ))
      5.600     3.900     0.400 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.44054E-04 ppm1      8.940 ppm2      2.027 CV     1
 ASSI { 1070}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      4.200     2.200     1.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.14877E-02 ppm1      8.940 ppm2      3.535 CV     1
 ASSI { 1071}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.200     2.200     1.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.80795E-03 ppm1      8.950 ppm2      1.095 CV     1
 ASSI { 1072}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      2.800     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.44246E-02 ppm1      8.951 ppm2      4.143 CV     1
 ASSI { 1073}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.100     0.500     0.500 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.12184E-01 ppm1      8.951 ppm2      3.501 CV     1
 ASSI { 1074}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
      3.200     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.16801E-02 ppm1      8.951 ppm2      1.245 CV     1
 ASSI { 1075}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      4.700     2.700     1.300 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.41296E-03 ppm1      8.951 ppm2      0.823 CV     1
 ASSI { 1077}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      2.300     0.700     0.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.71179E-02 ppm1      8.952 ppm2      3.359 CV     1
 ASSI { 1078}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.900     1.100     1.100 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.29497E-02 ppm1      8.952 ppm2      2.205 CV     1
 ASSI { 1079}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.600     1.600     1.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.24175E-02 ppm1      8.952 ppm2      1.743 CV     1
 ASSI { 1080}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.18596E-02 ppm1      8.952 ppm2      1.431 CV     1
 ASSI { 1081}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.26676E-02 ppm1      8.952 ppm2      0.510 CV     1
 ASSI { 1083}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 71   and name HE% )
      6.000     4.700     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.36295E-04 ppm1      8.955 ppm2      6.644 CV     1
 ASSI { 1084}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.18853E-02 ppm1      9.003 ppm2      8.541 CV     1
 ASSI { 1085}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 112  and name HD2 ))
      3.400     1.400     1.400 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.14620E-02 ppm1      9.003 ppm2      6.852 CV     1
 ASSI { 1086}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.600     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      9.003 ppm2      3.109 CV     1
 ASSI { 1087}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.100     1.200     1.200 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.20007E-02 ppm1      9.003 ppm2      1.929 CV     1
 ASSI { 1089}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      4.100     2.100     1.900 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      9.004 ppm2      2.524 CV     1
 ASSI { 1090}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.000     0.500     0.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.11542E-01 ppm1      9.004 ppm2      5.374 CV     1
 ASSI { 1091}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      2.900     1.000     1.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.40142E-02 ppm1      9.005 ppm2      9.330 CV     1
 ASSI { 1092}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HD22))
      4.200     2.300     1.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      9.005 ppm2      7.038 CV     1
 ASSI { 1093}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.000     2.000     2.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.34307E-03 ppm1      9.005 ppm2      3.433 CV     1
 ASSI { 1094}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.53031E-02 ppm1      9.007 ppm2      4.803 CV     1
 ASSI { 1095}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.56366E-03 ppm1      9.010 ppm2      9.570 CV     1
 ASSI { 1097}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.800     1.800     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      9.013 ppm2      5.023 CV     1
 ASSI { 1098}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      2.300     2.300     3.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.89133E-02 ppm1      9.015 ppm2      0.861 CV     1
 ASSI { 1099}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 76   and name HD22))
      3.300     1.400     1.400 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      9.016 ppm2      7.308 CV     1
 ASSI { 1100}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.34755E-02 ppm1      9.016 ppm2      5.205 CV     1
 ASSI { 1101}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.400     3.400     2.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.18917E-02 ppm1      9.016 ppm2      3.976 CV     1
 OR { 1101}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI { 1103}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 76   and name HD21))
      3.700     1.700     1.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.88494E-03 ppm1      9.017 ppm2      7.662 CV     1
 ASSI { 1104}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.500     0.500 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.11157E-01 ppm1      9.017 ppm2      4.682 CV     1
 ASSI { 1105}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      2.400     0.700     0.700 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.59959E-02 ppm1      9.017 ppm2      4.126 CV     1
 ASSI { 1107}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.75023E-02 ppm1      9.018 ppm2      4.329 CV     1
 ASSI { 1108}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      3.400     1.400     1.400 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.12504E-02 ppm1      9.018 ppm2      1.840 CV     1
 ASSI { 1109}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
      3.000     1.100     1.100 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.22059E-02 ppm1      9.018 ppm2      0.523 CV     1
 ASSI { 1112}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HD22))
      4.400     2.500     1.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.57005E-03 ppm1      9.075 ppm2      7.309 CV     1
 ASSI { 1113}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.700     0.900     0.900 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      9.075 ppm2      2.936 CV     1
 ASSI { 1114}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.45465E-02 ppm1      9.075 ppm2      2.789 CV     1
 ASSI { 1115}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      2.700     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.41681E-02 ppm1      9.075 ppm2      0.817 CV     1
 ASSI { 1117}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.000     0.500     0.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.12248E-01 ppm1      9.076 ppm2      4.334 CV     1
 ASSI { 1119}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.500     1.600     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.12312E-02 ppm1      9.076 ppm2      0.543 CV     1
 ASSI { 1124}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.100     1.200     1.200 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      9.189 ppm2      4.084 CV     1
 ASSI { 1125}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      4.600     2.700     1.400 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.51684E-03 ppm1      9.189 ppm2      1.885 CV     1
 ASSI { 1126}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.400     2.500     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.53416E-03 ppm1      9.190 ppm2      8.291 CV     1
 ASSI { 1127}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.500     1.500     1.500 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      9.190 ppm2      5.253 CV     1
 ASSI { 1129}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
      3.400     1.400     1.400 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.12953E-02 ppm1      9.190 ppm2      3.795 CV     1
 ASSI { 1130}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      2.900     1.000     1.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.48799E-02 ppm1      9.190 ppm2      0.827 CV     1
 ASSI { 1132}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
      5.400     3.700     0.600 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.21738E-03 ppm1      9.258 ppm2      7.677 CV     1
 ASSI { 1135}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.800     1.000     1.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.15711E-02 ppm1      9.261 ppm2      2.680 CV     1
 ASSI { 1136}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.73101E-02 ppm1      9.262 ppm2      4.624 CV     1
 ASSI { 1137}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.300     1.300     1.300 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.42450E-02 ppm1      9.262 ppm2      3.068 CV     1
 ASSI { 1138}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.47709E-03 ppm1      9.262 ppm2      8.559 CV     1
 ASSI { 1139}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.300     0.600     0.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.94265E-02 ppm1      9.263 ppm2      4.157 CV     1
 OR { 1139}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1141}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.400     1.400     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      9.280 ppm2      9.551 CV     1
 ASSI { 1142}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.000     1.200     1.200 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.20904E-02 ppm1      9.283 ppm2      8.375 CV     1
 ASSI { 1144}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      3.000     1.100     1.100 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.23855E-02 ppm1      9.283 ppm2      0.747 CV     1
 ASSI { 1145}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      4.000     2.000     2.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.12953E-02 ppm1      9.283 ppm2      0.435 CV     1
 ASSI { 1147}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG13))
      2.600     0.800     0.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.55405E-02 ppm1      9.284 ppm2      0.964 CV     1
 ASSI { 1148}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.100     1.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.17827E-02 ppm1      9.285 ppm2      5.622 CV     1
 ASSI { 1149}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.100     0.600     0.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.12248E-01 ppm1      9.285 ppm2      5.203 CV     1
 ASSI { 1150}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 87   and name HD21))
      3.000     1.100     1.100 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.20199E-02 ppm1      9.300 ppm2      7.579 CV     1
 ASSI { 1152}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.18083E-02 ppm1      9.303 ppm2      4.591 CV     1
 ASSI { 1153}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.48606E-02 ppm1      9.303 ppm2      4.416 CV     1
 ASSI { 1154}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.32447E-02 ppm1      9.303 ppm2      3.850 CV     1
 ASSI { 1155}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.600     0.900     0.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.30331E-02 ppm1      9.303 ppm2      3.472 CV     1
 ASSI { 1157}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     0.900     0.900 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.26419E-02 ppm1      9.303 ppm2      2.226 CV     1
 ASSI { 1158}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      4.200     2.200     1.800 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.93621E-03 ppm1      9.303 ppm2      2.064 CV     1
 ASSI { 1159}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      4.800     2.900     1.200 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.25458E-03 ppm1      9.303 ppm2      0.953 CV     1
 ASSI { 1161}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.500     1.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.38154E-03 ppm1      9.309 ppm2      8.429 CV     1
 ASSI { 1163}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      3.700     1.700     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.90416E-03 ppm1      9.310 ppm2      0.775 CV     1
 ASSI { 1164}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.700     0.900     0.900 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.24816E-02 ppm1      9.311 ppm2      0.998 CV     1
 ASSI { 1166}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.21802E-02 ppm1      9.312 ppm2      9.593 CV     1
 ASSI { 1167}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      3.500     1.500     1.500 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.23662E-02 ppm1      9.312 ppm2      6.706 CV     1
 ASSI { 1168}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.300     1.300     1.300 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.14171E-02 ppm1      9.312 ppm2      1.810 CV     1
 ASSI { 1169}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      9.313 ppm2      4.893 CV     1
 ASSI { 1170}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.700     0.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.50466E-02 ppm1      9.313 ppm2      4.523 CV     1
 ASSI { 1171}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.45785E-02 ppm1      9.313 ppm2      3.230 CV     1
 ASSI { 1172}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.500     0.800     0.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.32511E-02 ppm1      9.313 ppm2      2.487 CV     1
 ASSI { 1173}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      2.700     0.900     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.54826E-02 ppm1      9.313 ppm2      1.343 CV     1
 ASSI { 1175}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      4.200     2.200     1.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      9.315 ppm2      2.301 CV     1
 ASSI { 1176}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.700     1.700     1.700 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.12376E-02 ppm1      9.316 ppm2      4.743 CV     1
 ASSI { 1178}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.500     1.500     1.500 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.49697E-03 ppm1      9.326 ppm2      2.509 CV     1
 ASSI { 1179}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.22956E-02 ppm1      9.328 ppm2      8.347 CV     1
 ASSI { 1180}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.200     0.600     0.600 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.91699E-02 ppm1      9.328 ppm2      5.314 CV     1
 ASSI { 1181}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.900     1.000     1.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      9.328 ppm2      4.334 CV     1
 ASSI { 1183}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG13))
      3.100     1.200     1.200 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.29433E-02 ppm1      9.328 ppm2      0.884 CV     1
 OR { 1183}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI { 1185}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
      3.300     1.400     1.400 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.12440E-02 ppm1      9.330 ppm2      0.728 CV     1
 ASSI { 1186}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG12))
      2.300     0.700     0.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.43797E-02 ppm1      9.331 ppm2      1.612 CV     1
 ASSI { 1188}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.400     2.400     1.600 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.44310E-03 ppm1      9.334 ppm2      8.509 CV     1
 ASSI { 1189}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     1.900     1.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      9.335 ppm2      3.041 CV     1
 ASSI { 1190}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     6.000     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.16737E-03 ppm1      9.335 ppm2      1.108 CV     1
 ASSI { 1191}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 28   and name HG13))
      3.900     3.900     2.100 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.82078E-03 ppm1      9.337 ppm2      0.423 CV     1
 ASSI { 1193}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.500     1.500     1.500 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      9.337 ppm2      2.515 CV     1
 ASSI { 1195}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.200     0.600     0.600 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.79517E-02 ppm1      9.338 ppm2      5.012 CV     1
 ASSI { 1196}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
      3.000     1.100     1.100 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.15711E-02 ppm1      9.338 ppm2      2.037 CV     1
 ASSI { 1198}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.800     1.000     1.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.21418E-02 ppm1      9.339 ppm2      5.327 CV     1
 ASSI { 1201}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.11863E-02 ppm1      9.341 ppm2      5.765 CV     1
 ASSI { 1203}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.200     2.200     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.50081E-03 ppm1      9.484 ppm2      0.598 CV     1
 ASSI { 1207}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      9.488 ppm2      4.964 CV     1
 ASSI { 1208}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.87211E-02 ppm1      9.488 ppm2      4.221 CV     1
 ASSI { 1209}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.500     1.600     1.600 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.13338E-02 ppm1      9.488 ppm2      0.112 CV     1
 ASSI { 1210}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
      2.600     0.800     0.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      9.488 ppm2      2.355 CV     1
 ASSI { 1212}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      2.900     1.100     1.100 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.43476E-02 ppm1      9.489 ppm2      0.948 CV     1
 ASSI { 1213}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.400     2.400     1.600 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      9.489 ppm2      2.902 CV     1
 ASSI { 1214}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.500     0.800     0.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.40399E-02 ppm1      9.489 ppm2      1.405 CV     1
 ASSI { 1215}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.300     3.300     2.700 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.68613E-03 ppm1      9.489 ppm2      0.290 CV     1
 ASSI { 1216}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     1.200     1.200 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.21995E-02 ppm1      9.490 ppm2      2.202 CV     1
 ASSI { 1218}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      3.600     1.600     1.600 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      9.558 ppm2      3.978 CV     1
 OR { 1218}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1220}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.300     1.400     1.400 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.73746E-03 ppm1      9.559 ppm2      1.242 CV     1
 ASSI { 1221}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      3.900     1.900     1.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.66691E-03 ppm1      9.560 ppm2      0.853 CV     1
 ASSI { 1223}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.100     0.500     0.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.13659E-01 ppm1      9.561 ppm2      5.270 CV     1
 ASSI { 1225}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG13))
      2.700     0.900     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.96826E-02 ppm1      9.561 ppm2      1.114 CV     1
 ASSI { 1226}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HG2%)
      3.100     1.200     1.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      9.561 ppm2      0.981 CV     1
 ASSI { 1227}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      3.500     1.500     1.500 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      9.561 ppm2      0.496 CV     1
 ASSI { 1228}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.800     0.900     0.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.27253E-02 ppm1      9.562 ppm2      4.297 CV     1
 ASSI { 1229}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB  ))
      5.300     3.500     0.700 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.12953E-03 ppm1      9.563 ppm2      3.865 CV     1
 ASSI { 1231}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 71   and name HD% )
      3.800     1.900     1.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.42066E-03 ppm1      9.594 ppm2      6.711 CV     1
 ASSI { 1232}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     5.300     0.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.34307E-04 ppm1      9.594 ppm2      4.534 CV     1
 ASSI { 1233}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.800     1.800     1.800 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      9.595 ppm2      0.436 CV     1
 ASSI { 1234}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.300     1.800 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.41745E-03 ppm1      9.596 ppm2      3.900 CV     1
 ASSI { 1238}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.100     2.100     1.900 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.31036E-03 ppm1      9.597 ppm2      4.135 CV     1
 ASSI { 1239}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     2.800     3.200 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      9.597 ppm2      3.232 CV     1
 ASSI { 1240}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.400     0.700     0.700 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.55405E-02 ppm1      9.597 ppm2      1.815 CV     1
 ASSI { 1241}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG12))
      4.000     2.000     2.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.10068E-02 ppm1      9.597 ppm2      1.171 CV     1
 ASSI { 1242}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB3 ))
      2.800     1.000     1.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.31357E-02 ppm1      9.598 ppm2      4.007 CV     1
 ASSI { 1243}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.600     1.600     1.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      9.598 ppm2      2.625 CV     1
 ASSI { 1244}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      3.300     1.300     1.300 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.14364E-02 ppm1      9.598 ppm2      1.346 CV     1
 ASSI { 1245}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG13))
      3.400     1.500     1.500 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      9.598 ppm2      0.970 CV     1
 ASSI { 1246}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      3.600     1.600     1.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      9.598 ppm2      0.749 CV     1
 ASSI { 1249}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 38   and name HE3 ))
      3.200     3.200     2.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      9.656 ppm2      7.345 CV     1
 ASSI { 1250}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 17   and name HB  ))
      3.300     1.300     1.300 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      9.656 ppm2      3.826 CV     1
 ASSI { 1251}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.14171E-02 ppm1      9.656 ppm2      2.928 CV     1
 ASSI { 1252}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 32   and name HA  ))
      4.900     3.000     1.100 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.19237E-03 ppm1      9.656 ppm2      4.488 CV     1
 ASSI { 1253}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 38   and name HD1 ))
      2.800     1.000     1.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.28087E-02 ppm1      9.657 ppm2      7.198 CV     1
 ASSI { 1254}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 32   and name HZ2 ))
      3.300     1.400     1.400 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      9.657 ppm2      5.932 CV     1
 OR { 1254}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 32   and name HE3 ))
 ASSI { 1255}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.24624E-02 ppm1      9.657 ppm2      2.634 CV     1
 OR { 1255}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI { 1256}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 35   and name HN  ))
      4.200     2.200     1.800 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.34627E-03 ppm1      9.657 ppm2      8.777 CV     1
 ASSI { 1257}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 38   and name HA  ))
      5.100     3.200     0.900 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.21930E-03 ppm1      9.657 ppm2      4.161 CV     1
 ASSI { 1258}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 38   and name HZ2 ))
      2.700     2.700     3.300 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.36230E-02 ppm1      9.658 ppm2      7.046 CV     1
 ASSI { 1259}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 69   and name HN  ))
      5.200     5.200     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.63612E-03 ppm1      9.658 ppm2      6.058 CV     1
 ASSI { 1261}
   (( segid "    " and resid 38   and name HE1 ))
   (  segid "    " and resid 17   and name HG2%)
      2.800     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.32383E-02 ppm1      9.658 ppm2      0.942 CV     1
 ASSI { 1264}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     6.000     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.38154E-05 ppm1     10.080 ppm2      3.272 CV     1
 ASSI { 1265}
   (( segid "    " and resid 32   and name HE1 ))
   (  segid "    " and resid 21   and name HD% )
      5.000     3.100     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.16095E-03 ppm1     10.083 ppm2      6.812 CV     1
 ASSI { 1266}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 32   and name HZ2 ))
      6.000     6.000     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.13210E-04 ppm1     10.084 ppm2      5.971 CV     1
 ASSI { 1267}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 32   and name HD1 ))
      3.800     1.800     1.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.40591E-03 ppm1     10.086 ppm2      6.665 CV     1
 ASSI { 1268}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 17   and name HB  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.45080E-03 ppm1     10.086 ppm2      3.820 CV     1
 ASSI { 1270}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 38   and name HZ2 ))
      4.600     2.600     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.27894E-03 ppm1     10.087 ppm2      7.127 CV     1
 ASSI { 1271}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 29   and name HA1 ))
      3.400     3.400     2.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1     10.087 ppm2      2.681 CV     1
 ASSI { 1272}
   (( segid "    " and resid 32   and name HE1 ))
   (  segid "    " and resid 41   and name HB% )
      4.300     4.300     1.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.51172E-03 ppm1     10.088 ppm2      0.423 CV     1
 ASSI { 1276}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 18   and name HH2 ))
      3.800     1.800     1.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1     10.678 ppm2      7.513 CV     1
 ASSI { 1277}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 18   and name HZ2 ))
      3.300     1.400     1.400 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1     10.680 ppm2      7.697 CV     1
 ASSI { 1278}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 18   and name HD1 ))
      2.900     1.000     1.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.20841E-02 ppm1     10.680 ppm2      7.347 CV     1
 ASSI { 1279}
   (( segid "    " and resid 18   and name HE1 ))
   (  segid "    " and resid 13   and name HB% )
      3.800     1.800     1.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.91055E-03 ppm1     10.681 ppm2      0.838 CV     1
 ASSI { 1281}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 9    and name HB2 ))
      4.900     3.000     1.100 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.28343E-03 ppm1     10.683 ppm2      3.208 CV     1
 ASSI { 1282}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 9    and name HD21))
      4.500     2.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.23213E-03 ppm1     10.683 ppm2      6.991 CV     1
 ASSI { 1283}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 9    and name HD22))
      4.900     3.000     1.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.31229E-03 ppm1     10.684 ppm2      6.147 CV     1
 ASSI {    2}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      2.600     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.40317E-02 ppm1     -0.137 ppm2      3.276 CV     1
 ASSI {    4}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 69   and name HG2%)
      2.400     2.400     3.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.67095E-02 ppm1     -0.136 ppm2      0.604 CV     1
 ASSI {    5}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 69   and name HG2%)
      2.300     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.73112E-02 ppm1     -0.136 ppm2      0.899 CV     1
 ASSI {    6}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 69   and name HG2%)
      2.200     0.600     0.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.94473E-02 ppm1     -0.135 ppm2      1.091 CV     1
 ASSI {    8}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 69   and name HG2%)
      4.100     2.100     1.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.44228E-03 ppm1     -0.125 ppm2      6.820 CV     1
 ASSI {   10}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG3 ))
      1.900     1.900     4.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11343E-01 ppm1     -0.017 ppm2      0.441 CV     1
 ASSI {   11}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.400     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.58370E-02 ppm1     -0.016 ppm2      1.123 CV     1
 OR {   11}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG3 ))
 OR {   11}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {   13}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.500     2.500     3.500 peak    13 spectrum    1 weight  0.10000E+01 volume  0.38512E-02 ppm1     -0.015 ppm2      0.582 CV     1
 ASSI {   16}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 59   and name HD2%)
      2.300     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.98688E-02 ppm1      0.099 ppm2      0.956 CV     1
 ASSI {   17}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      2.500     0.800     0.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.60477E-02 ppm1      0.103 ppm2      1.328 CV     1
 ASSI {   20}
   (( segid "    " and resid 108  and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      4.600     2.700     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.22054E-03 ppm1      0.110 ppm2      2.890 CV     1
 ASSI {   21}
   (( segid "    " and resid 68   and name HD2 ))
   (  segid "    " and resid 59   and name HD2%)
      3.500     3.500     2.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.28944E-03 ppm1      0.110 ppm2      6.041 CV     1
 ASSI {   25}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 28   and name HD1%)
      4.400     2.500     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.69503E-03 ppm1      0.145 ppm2      2.877 CV     1
 ASSI {   26}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 28   and name HD1%)
      2.200     0.600     0.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.83645E-02 ppm1      0.146 ppm2      1.048 CV     1
 ASSI {   27}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     1.500     1.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.58970E-03 ppm1      0.146 ppm2      6.302 CV     1
 ASSI {   29}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HD1%)
      2.100     2.100     3.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.11614E-01 ppm1      0.147 ppm2      0.733 CV     1
 ASSI {   31}
   (( segid "    " and resid 32   and name HZ3 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     3.500     2.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.50848E-03 ppm1      0.148 ppm2      5.932 CV     1
 ASSI {   33}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      3.900     1.900     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.65894E-03 ppm1      0.158 ppm2      4.033 CV     1
 ASSI {   37}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
      3.500     1.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.53255E-03 ppm1      0.259 ppm2      2.338 CV     1
 ASSI {   38}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      3.400     1.400     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.85147E-03 ppm1      0.260 ppm2      4.204 CV     1
 ASSI {   40}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 59   and name HG  ))
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      0.263 ppm2      7.063 CV     1
 ASSI {   41}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 59   and name HG  ))
      2.700     2.700     3.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.68296E-02 ppm1      0.264 ppm2      0.748 CV     1
 ASSI {   42}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
      2.300     0.700     0.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.10110E-01 ppm1      0.264 ppm2      1.317 CV     1
 ASSI {   43}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.29967E-02 ppm1      0.322 ppm2      4.035 CV     1
 ASSI {   44}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 28   and name HB  ))
      2.600     2.600     3.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.40919E-02 ppm1      0.324 ppm2      0.728 CV     1
 ASSI {   45}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB  ))
      2.600     2.600     3.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.71005E-02 ppm1      0.326 ppm2      0.135 CV     1
 ASSI {   46}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 28   and name HB  ))
      4.700     2.700     1.300 peak    46 spectrum    1 weight  0.10000E+01 volume  0.31893E-03 ppm1      0.339 ppm2      5.926 CV     1
 OR {   46}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI {   47}
   (( segid "    " and resid 32   and name HZ3 ))
   (  segid "    " and resid 28   and name HG2%)
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.17872E-02 ppm1      0.390 ppm2      5.901 CV     1
 ASSI {   48}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 28   and name HG2%)
      3.300     1.400     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.19828E-02 ppm1      0.390 ppm2      7.606 CV     1
 ASSI {   51}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 28   and name HG2%)
      2.400     2.400     3.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.64387E-02 ppm1      0.392 ppm2      0.146 CV     1
 ASSI {   52}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 28   and name HG2%)
      4.000     2.000     2.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.69803E-03 ppm1      0.394 ppm2      6.284 CV     1
 ASSI {   53}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 28   and name HG2%)
      2.400     2.400     3.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.93271E-02 ppm1      0.394 ppm2      1.034 CV     1
 ASSI {   54}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 28   and name HG2%)
      4.300     2.300     1.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.39715E-03 ppm1      0.395 ppm2      6.815 CV     1
 ASSI {   55}
   (  segid "    " and resid 70   and name HB% )
   (  segid "    " and resid 83   and name HD1%)
      2.100     0.500     0.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.14833E-01 ppm1      0.421 ppm2      1.329 CV     1
 ASSI {   56}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 83   and name HD1%)
      2.400     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.56863E-02 ppm1      0.421 ppm2      1.619 CV     1
 ASSI {   57}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      4.400     2.500     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.49644E-03 ppm1      0.421 ppm2      5.640 CV     1
 ASSI {   58}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HD1%)
      2.400     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.60177E-02 ppm1      0.424 ppm2      1.815 CV     1
 ASSI {   59}
   (( segid "    " and resid 83   and name HG13))
   (  segid "    " and resid 83   and name HD1%)
      2.200     2.200     3.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.10801E-01 ppm1      0.424 ppm2      0.957 CV     1
 ASSI {   60}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HG2 ))
      3.500     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.18564E-02 ppm1      0.432 ppm2      2.014 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.200     2.200     3.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.83945E-02 ppm1      0.439 ppm2      1.121 CV     1
 OR {   63}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
 OR {   63}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI {   69}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 41   and name HB% )
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.26356E-02 ppm1      0.442 ppm2      2.606 CV     1
 OR {   69}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 41   and name HB% )
 ASSI {   70}
   (( segid "    " and resid 100  and name HB  ))
   (  segid "    " and resid 100  and name HD1%)
      2.800     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.48742E-02 ppm1      0.484 ppm2      1.827 CV     1
 ASSI {   71}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 100  and name HD1%)
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.17240E-02 ppm1      0.487 ppm2      4.056 CV     1
 ASSI {   72}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 100  and name HD1%)
      2.900     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.18985E-02 ppm1      0.487 ppm2      4.279 CV     1
 ASSI {   74}
   (( segid "    " and resid 100  and name HG12))
   (  segid "    " and resid 100  and name HD1%)
      2.100     2.100     3.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.11403E-01 ppm1      0.491 ppm2      1.229 CV     1
 ASSI {   75}
   (  segid "    " and resid 100  and name HG2%)
   (  segid "    " and resid 100  and name HD1%)
      2.800     2.800     3.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.27139E-02 ppm1      0.492 ppm2      1.018 CV     1
 ASSI {   80}
   (( segid "    " and resid 72   and name HB  ))
   (  segid "    " and resid 72   and name HG1%)
      2.300     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.82138E-02 ppm1      0.511 ppm2      2.208 CV     1
 ASSI {   82}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG1%)
      2.200     0.600     0.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.11975E-01 ppm1      0.544 ppm2      1.854 CV     1
 ASSI {   86}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.700     1.700     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      0.573 ppm2      3.026 CV     1
 ASSI {   89}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.28222E-02 ppm1      0.577 ppm2      3.602 CV     1
 ASSI {   90}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      1.800     1.800     4.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.15947E-01 ppm1      0.580 ppm2      1.141 CV     1
 ASSI {   91}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.100     2.100     3.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.25002E-01 ppm1      0.581 ppm2      0.460 CV     1
 ASSI {   92}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 69   and name HG1%)
      2.800     2.800     3.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.34600E-02 ppm1      0.599 ppm2      2.522 CV     1
 ASSI {   94}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 69   and name HG1%)
      2.000     2.000     4.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16518E-01 ppm1      0.602 ppm2      1.106 CV     1
 ASSI {   95}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      2.300     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.75220E-02 ppm1      0.602 ppm2      1.667 CV     1
 ASSI {   96}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 69   and name HG1%)
      2.900     1.100     1.100 peak    96 spectrum    1 weight  0.10000E+01 volume  0.19527E-02 ppm1      0.602 ppm2      3.165 CV     1
 OR {   96}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI {   99}
   (( segid "    " and resid 60   and name HG3 ))
   (  segid "    " and resid 69   and name HG1%)
      3.000     1.200     1.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.30087E-02 ppm1      0.603 ppm2      2.351 CV     1
 ASSI {  100}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      2.700     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.24130E-02 ppm1      0.603 ppm2      2.917 CV     1
 ASSI {  101}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 69   and name HG1%)
      3.400     1.400     1.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.81237E-03 ppm1      0.604 ppm2      6.822 CV     1
 ASSI {  102}
   (  segid "    " and resid 111  and name HD1%)
   (  segid "    " and resid 69   and name HG1%)
      1.700     1.700     4.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.19316E-01 ppm1      0.607 ppm2      0.858 CV     1
 ASSI {  103}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.100     2.100     3.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.15615E-01 ppm1      0.628 ppm2      1.356 CV     1
 ASSI {  107}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 10   and name HD1%)
      2.400     2.400     3.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.71305E-02 ppm1      0.650 ppm2      1.231 CV     1
 ASSI {  108}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
      2.400     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.69503E-02 ppm1      0.650 ppm2      1.434 CV     1
 ASSI {  109}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 111  and name HG2%)
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.19406E-02 ppm1      0.712 ppm2      2.695 CV     1
 ASSI {  111}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 111  and name HG2%)
      3.200     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      0.716 ppm2      3.062 CV     1
 ASSI {  113}
   (( segid "    " and resid 111  and name HB  ))
   (  segid "    " and resid 111  and name HG2%)
      2.100     0.500     0.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10019E-01 ppm1      0.717 ppm2      1.963 CV     1
 ASSI {  114}
   (( segid "    " and resid 32   and name HE3 ))
   (  segid "    " and resid 111  and name HG2%)
      4.100     2.100     1.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      0.718 ppm2      5.900 CV     1
 ASSI {  116}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 111  and name HG2%)
      4.100     2.100     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.76421E-03 ppm1      0.719 ppm2      6.293 CV     1
 ASSI {  118}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 28   and name HG12))
      3.400     1.400     1.400 peak   118 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      0.727 ppm2      6.373 CV     1
 ASSI {  120}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.57469E-02 ppm1      0.739 ppm2      3.877 CV     1
 ASSI {  121}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.400     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.54761E-02 ppm1      0.739 ppm2      5.644 CV     1
 ASSI {  122}
   (  segid "    " and resid 83   and name HD1%)
   (  segid "    " and resid 83   and name HG2%)
      2.400     2.400     3.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.58069E-02 ppm1      0.739 ppm2      0.428 CV     1
 ASSI {  124}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      2.100     0.600     0.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10350E-01 ppm1      0.740 ppm2      1.817 CV     1
 ASSI {  129}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
      6.000     6.000     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.12276E-04 ppm1      0.756 ppm2      3.749 CV     1
 ASSI {  130}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 113  and name HD1%)
      2.600     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.55962E-02 ppm1      0.780 ppm2      1.864 CV     1
 ASSI {  131}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 113  and name HD1%)
      2.800     2.800     3.200 peak   131 spectrum    1 weight  0.10000E+01 volume  0.43326E-02 ppm1      0.780 ppm2      2.484 CV     1
 ASSI {  132}
   (( segid "    " and resid 113  and name HG12))
   (  segid "    " and resid 113  and name HD1%)
      2.400     2.400     3.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.68903E-02 ppm1      0.781 ppm2      1.442 CV     1
 ASSI {  133}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HD1%)
      3.400     1.400     1.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      0.781 ppm2      4.303 CV     1
 ASSI {  134}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 95   and name HG1%)
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.74314E-02 ppm1      0.782 ppm2      2.219 CV     1
 OR {  134}
   (( segid "    " and resid 86   and name HG2 ))
   (  segid "    " and resid 95   and name HG1%)
 ASSI {  135}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HG1%)
      2.300     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.95073E-02 ppm1      0.783 ppm2      1.884 CV     1
 ASSI {  136}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 113  and name HD1%)
      2.500     2.500     3.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.68296E-02 ppm1      0.783 ppm2      1.664 CV     1
 ASSI {  137}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 113  and name HD1%)
      3.500     3.500     2.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.95379E-03 ppm1      0.784 ppm2      7.643 CV     1
 ASSI {  138}
   (( segid "    " and resid 86   and name HG3 ))
   (  segid "    " and resid 95   and name HG1%)
      3.200     1.300     1.300 peak   138 spectrum    1 weight  0.10000E+01 volume  0.18383E-02 ppm1      0.785 ppm2      2.082 CV     1
 ASSI {  139}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
      2.400     2.400     3.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.46334E-02 ppm1      0.791 ppm2      0.137 CV     1
 ASSI {  140}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.200     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.82739E-02 ppm1      0.792 ppm2      2.477 CV     1
 ASSI {  142}
   (  segid "    " and resid 28   and name HG2%)
   (  segid "    " and resid 24   and name HG2%)
      2.800     2.800     3.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36105E-02 ppm1      0.793 ppm2      0.384 CV     1
 OR {  142}
   (( segid "    " and resid 28   and name HG13))
   (  segid "    " and resid 24   and name HG2%)
 ASSI {  143}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.700     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.87555E-03 ppm1      0.795 ppm2      4.394 CV     1
 ASSI {  146}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 75   and name HG2%)
      4.700     4.700     1.300 peak   146 spectrum    1 weight  0.10000E+01 volume  0.13238E-03 ppm1      0.803 ppm2      0.547 CV     1
 ASSI {  151}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HG2%)
      2.600     0.800     0.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      0.814 ppm2      3.876 CV     1
 ASSI {  152}
   (( segid "    " and resid 72   and name HB  ))
   (  segid "    " and resid 72   and name HG2%)
      2.300     0.600     0.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.77022E-02 ppm1      0.814 ppm2      2.206 CV     1
 ASSI {  153}
   (  segid "    " and resid 110  and name HD% )
   (  segid "    " and resid 72   and name HG2%)
      2.900     2.900     3.100 peak   153 spectrum    1 weight  0.10000E+01 volume  0.90864E-03 ppm1      0.814 ppm2      6.521 CV     1
 ASSI {  154}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 72   and name HG2%)
      4.500     2.600     1.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.58670E-03 ppm1      0.814 ppm2      6.865 CV     1
 ASSI {  155}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 72   and name HG2%)
      4.900     3.000     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.94473E-03 ppm1      0.814 ppm2      6.303 CV     1
 ASSI {  158}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HG13))
      2.800     1.000     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.15555E-02 ppm1      0.847 ppm2      1.966 CV     1
 ASSI {  159}
   (( segid "    " and resid 111  and name HG12))
   (( segid "    " and resid 111  and name HG13))
      1.900     1.900     4.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.10079E-01 ppm1      0.848 ppm2      1.606 CV     1
 ASSI {  160}
   (( segid "    " and resid 38   and name HE3 ))
   (  segid "    " and resid 111  and name HD1%)
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17481E-02 ppm1      0.849 ppm2      7.313 CV     1
 ASSI {  161}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 111  and name HD1%)
      2.900     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.14442E-02 ppm1      0.849 ppm2      6.287 CV     1
 ASSI {  162}
   (( segid "    " and resid 111  and name HG12))
   (  segid "    " and resid 111  and name HD1%)
      2.000     2.000     4.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.12757E-01 ppm1      0.850 ppm2      1.596 CV     1
 ASSI {  163}
   (( segid "    " and resid 111  and name HB  ))
   (  segid "    " and resid 111  and name HD1%)
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.80937E-02 ppm1      0.850 ppm2      1.965 CV     1
 ASSI {  164}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 111  and name HD1%)
      2.600     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.40317E-02 ppm1      0.850 ppm2      3.166 CV     1
 OR {  164}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI {  166}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      4.100     2.100     1.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.98087E-03 ppm1      0.850 ppm2      4.383 CV     1
 ASSI {  167}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG13))
      3.400     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11975E-02 ppm1      0.851 ppm2      4.383 CV     1
 ASSI {  168}
   (( segid "    " and resid 32   and name HZ2 ))
   (  segid "    " and resid 111  and name HD1%)
      4.800     2.800     1.200 peak   168 spectrum    1 weight  0.10000E+01 volume  0.15585E-03 ppm1      0.851 ppm2      5.943 CV     1
 ASSI {  170}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 81   and name HG1%)
      2.700     0.900     0.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.27590E-02 ppm1      0.857 ppm2      4.323 CV     1
 ASSI {  172}
   (  segid "    " and resid 72   and name HG1%)
   (  segid "    " and resid 81   and name HG1%)
      2.200     2.200     3.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.11463E-01 ppm1      0.869 ppm2      0.514 CV     1
 ASSI {  173}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.68903E-02 ppm1      0.888 ppm2      3.275 CV     1
 ASSI {  176}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 42   and name HB% )
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.58970E-02 ppm1      0.891 ppm2      2.701 CV     1
 ASSI {  178}
   (( segid "    " and resid 32   and name HE3 ))
   (  segid "    " and resid 42   and name HB% )
      3.300     1.400     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.16849E-02 ppm1      0.893 ppm2      5.904 CV     1
 ASSI {  179}
   (  segid "    " and resid 47   and name HD% )
   (  segid "    " and resid 42   and name HB% )
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.17059E-02 ppm1      0.894 ppm2      7.668 CV     1
 ASSI {  183}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      2.200     0.600     0.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.95073E-02 ppm1      0.894 ppm2      3.242 CV     1
 ASSI {  184}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 113  and name HG2%)
      2.200     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.11975E-01 ppm1      0.895 ppm2      1.855 CV     1
 ASSI {  185}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 42   and name HB% )
      3.700     3.700     2.300 peak   185 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      0.898 ppm2      6.287 CV     1
 ASSI {  186}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.25996E-02 ppm1      0.916 ppm2      4.033 CV     1
 ASSI {  187}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HB3 ))
      1.800     0.400     0.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.18834E-01 ppm1      0.918 ppm2      1.889 CV     1
 ASSI {  190}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD1%)
      1.900     1.900     4.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.19286E-01 ppm1      0.926 ppm2      0.263 CV     1
 ASSI {  191}
   (  segid "    " and resid 108  and name HD% )
   (  segid "    " and resid 59   and name HD1%)
      3.300     1.400     1.400 peak   191 spectrum    1 weight  0.10000E+01 volume  0.81838E-03 ppm1      0.927 ppm2      7.076 CV     1
 ASSI {  193}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.43627E-02 ppm1      0.943 ppm2      4.366 CV     1
 ASSI {  194}
   (( segid "    " and resid 43   and name HG3 ))
   (  segid "    " and resid 49   and name HG1%)
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      0.943 ppm2      2.357 CV     1
 ASSI {  197}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG1%)
      2.300     0.600     0.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.88155E-02 ppm1      0.945 ppm2      1.898 CV     1
 ASSI {  198}
   (( segid "    " and resid 111  and name HG12))
   (  segid "    " and resid 49   and name HG1%)
      3.000     3.000     3.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.51149E-02 ppm1      0.945 ppm2      1.590 CV     1
 ASSI {  199}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.49343E-03 ppm1      0.946 ppm2      3.760 CV     1
 ASSI {  200}
   (( segid "    " and resid 43   and name HB3 ))
   (  segid "    " and resid 49   and name HG1%)
      3.500     1.500     1.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.19918E-02 ppm1      0.949 ppm2      2.128 CV     1
 OR {  200}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 49   and name HG1%)
 ASSI {  202}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HG13))
      3.200     3.200     2.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.26266E-02 ppm1      0.954 ppm2      0.741 CV     1
 ASSI {  203}
   (( segid "    " and resid 83   and name HG12))
   (( segid "    " and resid 83   and name HG13))
      1.700     1.700     4.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.22054E-01 ppm1      0.958 ppm2      1.199 CV     1
 ASSI {  204}
   (  segid "    " and resid 71   and name HE% )
   (  segid "    " and resid 24   and name HG1%)
      2.400     0.700     0.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.61979E-02 ppm1      0.960 ppm2      6.678 CV     1
 ASSI {  205}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 83   and name HG13))
      2.800     2.800     3.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.24431E-02 ppm1      0.961 ppm2      1.644 CV     1
 OR {  205}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 83   and name HG13))
 ASSI {  206}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG1%)
      2.200     0.600     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.10741E-01 ppm1      0.965 ppm2      2.484 CV     1
 ASSI {  207}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HG13))
      1.900     0.500     0.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.11674E-01 ppm1      0.967 ppm2      1.847 CV     1
 ASSI {  208}
   (( segid "    " and resid 80   and name HB3 ))
   (  segid "    " and resid 99   and name HG2%)
      2.300     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.97782E-02 ppm1      0.970 ppm2      3.976 CV     1
 OR {  208}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 99   and name HG2%)
 ASSI {  210}
   (( segid "    " and resid 99   and name HB  ))
   (  segid "    " and resid 99   and name HG2%)
      2.200     0.600     0.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12156E-01 ppm1      0.972 ppm2      3.835 CV     1
 ASSI {  212}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG1%)
      2.800     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.26597E-02 ppm1      0.975 ppm2      4.413 CV     1
 ASSI {  214}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB3 ))
      2.600     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.32795E-02 ppm1      0.986 ppm2      0.104 CV     1
 ASSI {  215}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      1.900     1.900     4.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.13329E-01 ppm1      0.988 ppm2      1.318 CV     1
 ASSI {  216}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.600     2.600     3.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.27500E-02 ppm1      0.988 ppm2      0.263 CV     1
 ASSI {  217}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.400     2.400     3.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.61679E-02 ppm1      0.991 ppm2      1.666 CV     1
 ASSI {  220}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.400     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.10049E-02 ppm1      0.993 ppm2      4.213 CV     1
 ASSI {  221}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      2.500     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.40618E-02 ppm1      0.994 ppm2     -0.134 CV     1
 ASSI {  223}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     1.200     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.17842E-02 ppm1      0.994 ppm2      4.479 CV     1
 ASSI {  225}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 100  and name HG2%)
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.71605E-02 ppm1      1.008 ppm2      2.193 CV     1
 ASSI {  226}
   (  segid "    " and resid 108  and name HD% )
   (  segid "    " and resid 100  and name HG2%)
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.11674E-02 ppm1      1.011 ppm2      7.059 CV     1
 ASSI {  227}
   (  segid "    " and resid 108  and name HE% )
   (  segid "    " and resid 100  and name HG2%)
      2.600     0.800     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      1.014 ppm2      6.726 CV     1
 ASSI {  228}
   (  segid "    " and resid 105  and name HB% )
   (  segid "    " and resid 100  and name HG2%)
      2.300     2.300     3.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.75520E-02 ppm1      1.014 ppm2      1.513 CV     1
 ASSI {  231}
   (( segid "    " and resid 100  and name HB  ))
   (  segid "    " and resid 100  and name HG2%)
      2.100     0.500     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.12216E-01 ppm1      1.015 ppm2      1.833 CV     1
 ASSI {  233}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 59   and name HB3 ))
      2.900     2.900     3.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.31592E-02 ppm1      1.031 ppm2      0.423 CV     1
 ASSI {  234}
   (( segid "    " and resid 28   and name HG13))
   (  segid "    " and resid 58   and name HD1%)
      2.700     2.700     3.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.44529E-02 ppm1      1.034 ppm2      0.391 CV     1
 OR {  234}
   (  segid "    " and resid 28   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  236}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HD1%)
      2.200     0.600     0.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10440E-01 ppm1      1.036 ppm2      1.849 CV     1
 ASSI {  237}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.000     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.24822E-02 ppm1      1.036 ppm2      6.831 CV     1
 ASSI {  238}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.400     1.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.74920E-03 ppm1      1.036 ppm2      6.279 CV     1
 ASSI {  239}
   (( segid "    " and resid 38   and name HE3 ))
   (  segid "    " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.11523E-02 ppm1      1.038 ppm2      7.313 CV     1
 ASSI {  240}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HG1%)
      2.200     0.600     0.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.91164E-02 ppm1      1.083 ppm2      2.018 CV     1
 ASSI {  243}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      2.000     0.500     0.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.17631E-01 ppm1      1.089 ppm2      3.673 CV     1
 OR {  243}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI {  244}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HG1%)
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      1.091 ppm2      3.014 CV     1
 ASSI {  248}
   (( segid "    " and resid 67   and name HA2 ))
   (  segid "    " and resid 35   and name HB% )
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.84846E-03 ppm1      1.096 ppm2      4.178 CV     1
 ASSI {  253}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HD3 ))
      2.700     2.700     3.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.26537E-02 ppm1      1.105 ppm2      0.438 CV     1
 OR {  253}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  254}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HD2 ))
      2.500     0.800     0.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.43627E-02 ppm1      1.105 ppm2      2.012 CV     1
 OR {  254}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HD3 ))
 ASSI {  255}
   (( segid "    " and resid 72   and name HB  ))
   (  segid "    " and resid 57   and name HB% )
      2.900     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.19436E-02 ppm1      1.105 ppm2      2.205 CV     1
 ASSI {  256}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HD3 ))
      2.800     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.25544E-02 ppm1      1.106 ppm2     -0.012 CV     1
 OR {  256}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  259}
   (  segid "    " and resid 110  and name HD% )
   (  segid "    " and resid 57   and name HB% )
      3.200     1.300     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.74920E-03 ppm1      1.108 ppm2      6.499 CV     1
 ASSI {  260}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      2.200     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.89056E-02 ppm1      1.109 ppm2      3.606 CV     1
 OR {  260}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD3 ))
 ASSI {  261}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 57   and name HB% )
      2.900     1.100     1.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.22205E-02 ppm1      1.109 ppm2      3.707 CV     1
 ASSI {  263}
   (( segid "    " and resid 110  and name HB3 ))
   (  segid "    " and resid 57   and name HB% )
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.29606E-02 ppm1      1.109 ppm2      1.948 CV     1
 ASSI {  264}
   (  segid "    " and resid 110  and name HE% )
   (  segid "    " and resid 57   and name HB% )
      3.700     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.69503E-03 ppm1      1.109 ppm2      7.552 CV     1
 ASSI {  265}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      3.600     1.600     1.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.83945E-03 ppm1      1.109 ppm2      2.921 CV     1
 ASSI {  266}
   (( segid "    " and resid 110  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      3.400     1.400     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.98087E-03 ppm1      1.110 ppm2      2.543 CV     1
 ASSI {  268}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 23   and name HD3 ))
      4.600     2.600     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.12486E-03 ppm1      1.113 ppm2      6.681 CV     1
 OR {  268}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  269}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      5.200     3.300     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.31291E-03 ppm1      1.114 ppm2      5.288 CV     1
 ASSI {  272}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG13))
      3.300     1.300     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.15555E-02 ppm1      1.116 ppm2      4.282 CV     1
 ASSI {  273}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HG13))
      2.800     2.800     3.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.24521E-02 ppm1      1.118 ppm2      0.482 CV     1
 ASSI {  274}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HG13))
      2.400     2.400     3.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.60477E-02 ppm1      1.126 ppm2      1.821 CV     1
 ASSI {  275}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 100  and name HG13))
      2.100     2.100     3.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.30388E-01 ppm1      1.128 ppm2      1.387 CV     1
 OR {  275}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 100  and name HG13))
 ASSI {  277}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.200     2.200     3.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.67996E-02 ppm1      1.134 ppm2      1.662 CV     1
 ASSI {  278}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.41521E-02 ppm1      1.136 ppm2      3.606 CV     1
 ASSI {  279}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.200     0.600     0.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.78829E-02 ppm1      1.136 ppm2      2.006 CV     1
 ASSI {  280}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.600     1.600     1.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.68903E-03 ppm1      1.136 ppm2      5.315 CV     1
 ASSI {  281}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      3.000     3.000     3.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.29155E-02 ppm1      1.137 ppm2      0.605 CV     1
 ASSI {  282}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak   282 spectrum    1 weight  0.10000E+01 volume  0.27891E-02 ppm1      1.138 ppm2      6.831 CV     1
 ASSI {  283}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.32795E-02 ppm1      1.141 ppm2     -0.014 CV     1
 ASSI {  284}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     2.600     3.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.29365E-02 ppm1      1.143 ppm2      0.441 CV     1
 ASSI {  286}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.12216E-01 ppm1      1.145 ppm2      4.165 CV     1
 OR {  286}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  287}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.500     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.96881E-03 ppm1      1.145 ppm2      5.477 CV     1
 ASSI {  289}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.21061E-02 ppm1      1.147 ppm2      3.024 CV     1
 ASSI {  290}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HB2 ))
      4.400     2.400     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.93572E-03 ppm1      1.149 ppm2      2.017 CV     1
 ASSI {  291}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
      4.000     2.000     2.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.21874E-03 ppm1      1.159 ppm2      3.255 CV     1
 ASSI {  292}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 39   and name HB% )
      3.300     1.300     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.11523E-02 ppm1      1.177 ppm2      3.072 CV     1
 ASSI {  293}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HB% )
      2.200     0.600     0.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10711E-01 ppm1      1.179 ppm2      3.758 CV     1
 ASSI {  294}
   (( segid "    " and resid 109  and name HB3 ))
   (  segid "    " and resid 39   and name HB% )
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.46334E-02 ppm1      1.180 ppm2      2.053 CV     1
 ASSI {  295}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HG12))
      2.800     2.800     3.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.17210E-02 ppm1      1.189 ppm2      0.741 CV     1
 ASSI {  296}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HG12))
      2.400     0.700     0.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.55661E-02 ppm1      1.196 ppm2      0.426 CV     1
 ASSI {  298}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HG12))
      2.500     2.500     3.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.57469E-02 ppm1      1.201 ppm2      1.801 CV     1
 ASSI {  300}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.32494E-02 ppm1      1.221 ppm2      2.915 CV     1
 ASSI {  302}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 53   and name HB3 ))
      2.700     2.700     3.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.46334E-02 ppm1      1.223 ppm2      0.538 CV     1
 ASSI {  303}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HB3 ))
      2.300     2.300     3.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.50848E-02 ppm1      1.226 ppm2      1.559 CV     1
 ASSI {  304}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB3 ))
      2.800     2.800     3.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.56562E-02 ppm1      1.229 ppm2      1.753 CV     1
 ASSI {  306}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      1.900     1.900     4.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.14352E-01 ppm1      1.230 ppm2      1.434 CV     1
 ASSI {  311}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HG3 ))
      1.700     1.700     4.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.28342E-01 ppm1      1.241 ppm2      1.421 CV     1
 ASSI {  312}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG3 ))
      2.100     2.100     3.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.19798E-01 ppm1      1.243 ppm2      1.675 CV     1
 OR {  312}
   (( segid "    " and resid 55   and name HD3 ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  313}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG3 ))
      2.800     1.000     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.20099E-02 ppm1      1.243 ppm2      3.502 CV     1
 ASSI {  314}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HG12))
      2.300     2.300     3.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.68903E-02 ppm1      1.246 ppm2      1.837 CV     1
 ASSI {  315}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 100  and name HG12))
      5.300     3.500     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.15645E-03 ppm1      1.248 ppm2      0.256 CV     1
 ASSI {  317}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HG13))
      2.800     2.800     3.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.40016E-02 ppm1      1.270 ppm2      0.889 CV     1
 ASSI {  318}
   (  segid "    " and resid 113  and name HD1%)
   (( segid "    " and resid 113  and name HG13))
      2.600     2.600     3.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.46033E-02 ppm1      1.274 ppm2      0.781 CV     1
 ASSI {  319}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 113  and name HG13))
      2.700     2.700     3.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.32795E-02 ppm1      1.277 ppm2      1.858 CV     1
 ASSI {  322}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 53   and name HB2 ))
      2.400     2.400     3.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.48742E-02 ppm1      1.313 ppm2      0.850 CV     1
 ASSI {  323}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.26597E-02 ppm1      1.313 ppm2      0.539 CV     1
 ASSI {  327}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     2.500     3.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.29757E-02 ppm1      1.318 ppm2      1.753 CV     1
 ASSI {  328}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     2.600     3.400 peak   328 spectrum    1 weight  0.10000E+01 volume  0.58370E-02 ppm1      1.319 ppm2      1.561 CV     1
 ASSI {  330}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 70   and name HB% )
      3.700     1.800     1.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      1.326 ppm2      0.262 CV     1
 ASSI {  331}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 70   and name HB% )
      3.000     1.100     1.100 peak   331 spectrum    1 weight  0.10000E+01 volume  0.25063E-02 ppm1      1.328 ppm2      0.106 CV     1
 ASSI {  334}
   (( segid "    " and resid 85   and name HB2 ))
   (  segid "    " and resid 70   and name HB% )
      3.200     1.300     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.54157E-02 ppm1      1.328 ppm2      2.293 CV     1
 ASSI {  335}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      2.600     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      1.328 ppm2      4.480 CV     1
 ASSI {  337}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 70   and name HB% )
      3.100     3.100     2.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.24040E-02 ppm1      1.329 ppm2      0.745 CV     1
 ASSI {  338}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 70   and name HB% )
      3.800     1.800     1.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.12817E-02 ppm1      1.335 ppm2      5.648 CV     1
 ASSI {  346}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      4.000     2.000     2.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.42724E-03 ppm1      1.351 ppm2      4.243 CV     1
 ASSI {  348}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 98   and name HG2 ))
      3.900     1.900     1.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.78529E-03 ppm1      1.351 ppm2      0.428 CV     1
 OR {  348}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 98   and name HG3 ))
 ASSI {  349}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HG2 ))
      1.900     1.900     4.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.29937E-01 ppm1      1.351 ppm2      1.602 CV     1
 OR {  349}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HG3 ))
 ASSI {  350}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HB3 ))
      3.800     3.800     2.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.65894E-03 ppm1      1.351 ppm2      2.072 CV     1
 ASSI {  351}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      3.000     3.000     3.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.17330E-02 ppm1      1.352 ppm2      0.630 CV     1
 OR {  351}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  352}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HB3 ))
      2.000     2.000     4.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.81537E-02 ppm1      1.353 ppm2      1.626 CV     1
 ASSI {  353}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 86   and name HB3 ))
      2.800     1.000     1.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.20820E-02 ppm1      1.355 ppm2      2.216 CV     1
 OR {  353}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  355}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 86   and name HB3 ))
      2.900     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      1.358 ppm2      4.001 CV     1
 ASSI {  356}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HG13))
      2.000     2.000     4.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.27500E-01 ppm1      1.389 ppm2      1.129 CV     1
 OR {  356}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HG12))
 ASSI {  358}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HG12))
      2.500     2.500     3.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.51750E-02 ppm1      1.392 ppm2      1.820 CV     1
 OR {  358}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HG13))
 ASSI {  359}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.100     1.200     1.200 peak   359 spectrum    1 weight  0.10000E+01 volume  0.22445E-02 ppm1      1.417 ppm2      3.505 CV     1
 ASSI {  361}
   (( segid "    " and resid 55   and name HD3 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.000     2.000     4.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13268E-01 ppm1      1.419 ppm2      1.674 CV     1
 OR {  361}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  363}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      1.700     1.700     4.300 peak   363 spectrum    1 weight  0.10000E+01 volume  0.21844E-01 ppm1      1.432 ppm2      2.205 CV     1
 ASSI {  364}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 60   and name HB3 ))
      3.600     1.600     1.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.21964E-02 ppm1      1.432 ppm2      0.603 CV     1
 ASSI {  370}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      2.900     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.17210E-02 ppm1      1.446 ppm2      3.068 CV     1
 ASSI {  371}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.54458E-02 ppm1      1.446 ppm2      0.641 CV     1
 OR {  371}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  372}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 113  and name HG12))
      2.200     2.200     3.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14683E-01 ppm1      1.447 ppm2      1.862 CV     1
 ASSI {  373}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HG12))
      2.800     2.800     3.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      1.448 ppm2      0.902 CV     1
 ASSI {  377}
   (( segid "    " and resid 113  and name HG13))
   (( segid "    " and resid 113  and name HG12))
      1.700     1.700     4.300 peak   377 spectrum    1 weight  0.10000E+01 volume  0.30087E-01 ppm1      1.454 ppm2      1.280 CV     1
 ASSI {  378}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 105  and name HB% )
      2.500     2.500     3.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.10230E-01 ppm1      1.509 ppm2      0.872 CV     1
 ASSI {  379}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HB% )
      2.200     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.91164E-02 ppm1      1.512 ppm2      4.056 CV     1
 ASSI {  380}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 73   and name HB3 ))
      3.300     3.300     2.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.31291E-02 ppm1      1.513 ppm2      1.118 CV     1
 ASSI {  381}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 105  and name HB% )
      2.500     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.51149E-02 ppm1      1.513 ppm2      3.901 CV     1
 ASSI {  382}
   (  segid "    " and resid 108  and name HD% )
   (  segid "    " and resid 105  and name HB% )
      3.400     1.400     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.36706E-03 ppm1      1.515 ppm2      7.078 CV     1
 ASSI {  383}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB3 ))
      1.700     1.700     4.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.23950E-01 ppm1      1.517 ppm2      2.178 CV     1
 ASSI {  384}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 73   and name HB3 ))
      3.800     1.800     1.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.12246E-02 ppm1      1.517 ppm2      4.121 CV     1
 ASSI {  385}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB3 ))
      2.900     1.000     1.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.19286E-02 ppm1      1.520 ppm2      4.239 CV     1
 ASSI {  386}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 73   and name HB3 ))
      2.700     0.900     0.900 peak   386 spectrum    1 weight  0.10000E+01 volume  0.67996E-02 ppm1      1.521 ppm2      2.494 CV     1
 ASSI {  391}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG3 ))
      3.100     1.200     1.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.17240E-02 ppm1      1.573 ppm2      3.660 CV     1
 ASSI {  392}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HG3 ))
      2.900     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.14683E-02 ppm1      1.574 ppm2      3.500 CV     1
 ASSI {  393}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG3 ))
      3.800     1.800     1.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.90263E-03 ppm1      1.574 ppm2      2.926 CV     1
 ASSI {  398}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 111  and name HG12))
      1.700     1.700     4.300 peak   398 spectrum    1 weight  0.10000E+01 volume  0.19075E-01 ppm1      1.595 ppm2      0.852 CV     1
 OR {  398}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HG12))
 ASSI {  399}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HG12))
      2.500     2.500     3.500 peak   399 spectrum    1 weight  0.10000E+01 volume  0.55361E-02 ppm1      1.595 ppm2      1.965 CV     1
 ASSI {  402}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      1.617 ppm2      5.209 CV     1
 ASSI {  405}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HB2 ))
      2.800     2.800     3.200 peak   405 spectrum    1 weight  0.10000E+01 volume  0.27349E-02 ppm1      1.621 ppm2      2.232 CV     1
 OR {  405}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 86   and name HB2 ))
 ASSI {  407}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HB2 ))
      3.100     3.100     2.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      1.632 ppm2      2.066 CV     1
 ASSI {  409}
   (( segid "    " and resid 98   and name HD3 ))
   (( segid "    " and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak   409 spectrum    1 weight  0.10000E+01 volume  0.20429E-02 ppm1      1.653 ppm2      2.848 CV     1
 ASSI {  410}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak   410 spectrum    1 weight  0.10000E+01 volume  0.20790E-02 ppm1      1.656 ppm2      3.043 CV     1
 ASSI {  411}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 27   and name HB3 ))
      3.400     3.400     2.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.11102E-02 ppm1      1.659 ppm2      0.899 CV     1
 ASSI {  412}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      1.700     1.700     4.300 peak   412 spectrum    1 weight  0.10000E+01 volume  0.33999E-01 ppm1      1.660 ppm2      2.329 CV     1
 ASSI {  413}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.400     2.400     3.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.90263E-02 ppm1      1.660 ppm2      2.116 CV     1
 ASSI {  414}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.100     2.100     3.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.12907E-01 ppm1      1.660 ppm2      1.356 CV     1
 OR {  414}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI {  416}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 98   and name HB2 ))
      3.700     1.700     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.56562E-03 ppm1      1.662 ppm2      0.440 CV     1
 ASSI {  418}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HD3 ))
      2.700     2.700     3.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.38211E-02 ppm1      1.665 ppm2      1.246 CV     1
 ASSI {  422}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD3 ))
      2.300     2.300     3.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.80331E-02 ppm1      1.669 ppm2      1.426 CV     1
 ASSI {  424}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HB3 ))
      3.000     3.000     3.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.36105E-02 ppm1      1.688 ppm2      1.245 CV     1
 ASSI {  425}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      2.700     0.900     0.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.48441E-02 ppm1      1.691 ppm2      3.499 CV     1
 ASSI {  426}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB3 ))
      1.800     1.800     4.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25514E-01 ppm1      1.700 ppm2      1.423 CV     1
 ASSI {  427}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.600     1.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.11012E-02 ppm1      1.740 ppm2      2.915 CV     1
 ASSI {  430}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.700     1.700     4.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.25002E-01 ppm1      1.749 ppm2      1.569 CV     1
 ASSI {  431}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.78829E-03 ppm1      1.751 ppm2      3.488 CV     1
 ASSI {  434}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.800     2.800     3.200 peak   434 spectrum    1 weight  0.10000E+01 volume  0.21753E-02 ppm1      1.760 ppm2      1.246 CV     1
 ASSI {  435}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.300     2.300     3.700 peak   435 spectrum    1 weight  0.10000E+01 volume  0.52954E-02 ppm1      1.763 ppm2      1.247 CV     1
 ASSI {  436}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.600     2.600     3.400 peak   436 spectrum    1 weight  0.10000E+01 volume  0.58970E-02 ppm1      1.763 ppm2      1.423 CV     1
 ASSI {  437}
   (( segid "    " and resid 55   and name HE3 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.600     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.36105E-02 ppm1      1.763 ppm2      3.069 CV     1
 OR {  437}
   (( segid "    " and resid 55   and name HE2 ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI {  439}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.300     3.300     2.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.18023E-02 ppm1      1.770 ppm2      1.419 CV     1
 ASSI {  440}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HG3 ))
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.70404E-02 ppm1      1.772 ppm2      3.562 CV     1
 OR {  440}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {  441}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HG3 ))
      1.900     1.900     4.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.13569E-01 ppm1      1.773 ppm2      2.084 CV     1
 ASSI {  444}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      2.300     0.700     0.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.61378E-02 ppm1      1.794 ppm2      4.037 CV     1
 ASSI {  445}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HB3 ))
      1.900     1.900     4.100 peak   445 spectrum    1 weight  0.10000E+01 volume  0.10471E-01 ppm1      1.799 ppm2      2.288 CV     1
 ASSI {  449}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 83   and name HB  ))
      2.300     2.300     3.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.67696E-02 ppm1      1.807 ppm2      1.331 CV     1
 ASSI {  450}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      2.400     0.700     0.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.50246E-02 ppm1      1.807 ppm2      5.644 CV     1
 ASSI {  454}
   (( segid "    " and resid 83   and name HG13))
   (( segid "    " and resid 83   and name HB  ))
      2.700     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.24671E-02 ppm1      1.809 ppm2      0.957 CV     1
 ASSI {  455}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG3 ))
      6.000     5.400     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.49043E-04 ppm1      1.816 ppm2      4.025 CV     1
 ASSI {  456}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 65   and name HG3 ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.25002E-02 ppm1      1.825 ppm2      3.413 CV     1
 ASSI {  458}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HG3 ))
      3.300     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      1.826 ppm2      3.704 CV     1
 ASSI {  463}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 81   and name HB  ))
      3.100     1.200     1.200 peak   463 spectrum    1 weight  0.10000E+01 volume  0.16909E-02 ppm1      1.838 ppm2      0.496 CV     1
 ASSI {  465}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HB  ))
      2.000     0.500     0.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.14683E-01 ppm1      1.844 ppm2      0.862 CV     1
 ASSI {  466}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 81   and name HB  ))
      2.900     2.900     3.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.44830E-02 ppm1      1.844 ppm2      1.119 CV     1
 ASSI {  468}
   (( segid "    " and resid 58   and name HG13))
   (( segid "    " and resid 58   and name HG12))
      1.700     0.400     0.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.26206E-01 ppm1      1.848 ppm2      1.004 CV     1
 OR {  468}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG12))
 ASSI {  469}
   (( segid "    " and resid 32   and name HE3 ))
   (  segid "    " and resid 45   and name HB% )
      4.200     2.200     1.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.63786E-03 ppm1      1.848 ppm2      5.900 CV     1
 ASSI {  471}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 45   and name HB% )
      2.300     0.700     0.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.83339E-02 ppm1      1.852 ppm2      7.680 CV     1
 OR {  471}
   (  segid "    " and resid 47   and name HD% )
   (  segid "    " and resid 45   and name HB% )
 ASSI {  472}
   (( segid "    " and resid 47   and name HZ  ))
   (  segid "    " and resid 45   and name HB% )
      2.800     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.28583E-02 ppm1      1.852 ppm2      7.096 CV     1
 ASSI {  474}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HB% )
      2.600     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.49945E-02 ppm1      1.853 ppm2      3.241 CV     1
 ASSI {  476}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
      2.200     0.600     0.600 peak   476 spectrum    1 weight  0.10000E+01 volume  0.11403E-01 ppm1      1.856 ppm2      0.805 CV     1
 ASSI {  479}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.400     0.700     0.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.43326E-02 ppm1      1.879 ppm2      3.709 CV     1
 ASSI {  480}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 65   and name HG2 ))
      3.100     1.200     1.200 peak   480 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      1.882 ppm2      3.411 CV     1
 ASSI {  481}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 95   and name HB  ))
      2.000     0.500     0.500 peak   481 spectrum    1 weight  0.10000E+01 volume  0.18534E-01 ppm1      1.884 ppm2      0.815 CV     1
 OR {  481}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HB  ))
 ASSI {  482}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.300     2.300     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.44529E-03 ppm1      1.885 ppm2      4.033 CV     1
 ASSI {  483}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 65   and name HB2 ))
      4.000     2.000     2.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.99589E-03 ppm1      1.893 ppm2      3.424 CV     1
 ASSI {  484}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 49   and name HB  ))
      4.100     4.100     1.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.59871E-03 ppm1      1.894 ppm2      2.551 CV     1
 ASSI {  488}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 49   and name HB  ))
      3.600     3.600     2.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.10049E-02 ppm1      1.898 ppm2      2.369 CV     1
 ASSI {  489}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HB  ))
      2.200     0.600     0.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.12787E-01 ppm1      1.899 ppm2      0.757 CV     1
 ASSI {  493}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 111  and name HB  ))
      2.200     0.600     0.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.77022E-02 ppm1      1.951 ppm2      0.854 CV     1
 OR {  493}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HB  ))
 ASSI {  495}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 111  and name HB  ))
      4.000     2.000     2.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.64988E-03 ppm1      1.953 ppm2      1.027 CV     1
 ASSI {  496}
   (( segid "    " and resid 38   and name HZ3 ))
   (( segid "    " and resid 110  and name HB3 ))
      4.300     2.300     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.29997E-03 ppm1      1.956 ppm2      6.849 CV     1
 ASSI {  498}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.900     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      1.976 ppm2      4.038 CV     1
 ASSI {  499}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 92   and name HB2 ))
      3.500     1.600     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.95679E-03 ppm1      1.977 ppm2      3.565 CV     1
 OR {  499}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI {  500}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 92   and name HB2 ))
      3.200     1.300     1.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.90563E-03 ppm1      1.977 ppm2      7.141 CV     1
 ASSI {  501}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HB2 ))
      1.700     1.700     4.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.30388E-01 ppm1      1.977 ppm2      1.798 CV     1
 ASSI {  502}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.78229E-02 ppm1      2.007 ppm2      4.224 CV     1
 OR {  502}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  503}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HE3 ))
      3.400     1.500     1.500 peak   503 spectrum    1 weight  0.10000E+01 volume  0.94473E-03 ppm1      2.011 ppm2      1.115 CV     1
 OR {  503}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HE3 ))
 OR {  503}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HE3 ))
 ASSI {  504}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 15   and name HG3 ))
      2.400     0.800     0.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.28944E-02 ppm1      2.014 ppm2      3.659 CV     1
 ASSI {  505}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 23   and name HE3 ))
      3.400     1.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.87855E-03 ppm1      2.014 ppm2      6.693 CV     1
 OR {  505}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 23   and name HE3 ))
 ASSI {  506}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 15   and name HG3 ))
      3.300     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.31291E-02 ppm1      2.015 ppm2      1.080 CV     1
 ASSI {  507}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HE3 ))
      1.900     1.900     4.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.10771E-01 ppm1      2.015 ppm2      2.305 CV     1
 ASSI {  508}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HG3 ))
      1.700     1.700     4.300 peak   508 spectrum    1 weight  0.10000E+01 volume  0.18834E-01 ppm1      2.017 ppm2      2.203 CV     1
 ASSI {  509}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HE3 ))
      2.400     0.700     0.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.25484E-02 ppm1      2.017 ppm2      0.581 CV     1
 ASSI {  510}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20038E-02 ppm1      2.020 ppm2     -0.142 CV     1
 ASSI {  513}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      3.100     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.12907E-02 ppm1      2.021 ppm2      3.274 CV     1
 ASSI {  516}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      1.900     0.500     0.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.19557E-01 ppm1      2.030 ppm2      1.024 CV     1
 ASSI {  519}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HB3 ))
      1.900     0.400     0.400 peak   519 spectrum    1 weight  0.10000E+01 volume  0.17752E-01 ppm1      2.057 ppm2      3.067 CV     1
 ASSI {  520}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 109  and name HB3 ))
      2.400     0.700     0.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.58970E-02 ppm1      2.060 ppm2      0.756 CV     1
 ASSI {  521}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.000     1.100     1.100 peak   521 spectrum    1 weight  0.10000E+01 volume  0.33096E-02 ppm1      2.067 ppm2      4.254 CV     1
 ASSI {  523}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.300     2.300     3.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.61979E-02 ppm1      2.073 ppm2      2.540 CV     1
 ASSI {  524}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB3 ))
      3.800     1.800     1.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.70404E-03 ppm1      2.073 ppm2      0.941 CV     1
 ASSI {  525}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.400     2.400     3.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.12907E-01 ppm1      2.076 ppm2      2.353 CV     1
 ASSI {  526}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.600     0.800     0.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      2.078 ppm2      4.310 CV     1
 ASSI {  528}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 26   and name HA1 ))
      1.800     0.400     0.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.19135E-01 ppm1      2.082 ppm2      3.392 CV     1
 ASSI {  530}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 92   and name HG2 ))
      2.500     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.54458E-02 ppm1      2.089 ppm2      3.563 CV     1
 OR {  530}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 92   and name HG2 ))
 ASSI {  532}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 27   and name HG3 ))
      4.100     2.100     1.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.37910E-03 ppm1      2.111 ppm2      0.907 CV     1
 ASSI {  533}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
      2.800     1.000     1.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.27651E-02 ppm1      2.113 ppm2      4.146 CV     1
 ASSI {  534}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.600     0.800     0.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.44830E-02 ppm1      2.115 ppm2      3.984 CV     1
 OR {  534}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  536}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HG3 ))
      1.600     1.600     4.400 peak   536 spectrum    1 weight  0.10000E+01 volume  0.56262E-01 ppm1      2.119 ppm2      2.323 CV     1
 ASSI {  538}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB2 ))
      1.900     1.900     4.100 peak   538 spectrum    1 weight  0.10000E+01 volume  0.17300E-01 ppm1      2.134 ppm2      2.354 CV     1
 ASSI {  539}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     3.800     2.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.74619E-03 ppm1      2.134 ppm2      2.541 CV     1
 ASSI {  540}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.800     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.43627E-02 ppm1      2.135 ppm2      4.309 CV     1
 ASSI {  541}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HG2 ))
      2.100     2.100     3.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.10440E-01 ppm1      2.142 ppm2      1.800 CV     1
 ASSI {  542}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.800     1.800     1.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.37910E-03 ppm1      2.164 ppm2      4.368 CV     1
 ASSI {  545}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.000     1.100     1.100 peak   545 spectrum    1 weight  0.10000E+01 volume  0.29004E-02 ppm1      2.175 ppm2      4.241 CV     1
 ASSI {  547}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.800     1.000     1.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.32494E-02 ppm1      2.184 ppm2      4.261 CV     1
 ASSI {  548}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.64087E-02 ppm1      2.185 ppm2      2.032 CV     1
 ASSI {  549}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.40919E-02 ppm1      2.185 ppm2      1.089 CV     1
 ASSI {  550}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 15   and name HG2 ))
      2.600     0.800     0.800 peak   550 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      2.188 ppm2      3.660 CV     1
 ASSI {  554}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.34299E-02 ppm1      2.194 ppm2      3.070 CV     1
 ASSI {  558}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB  ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.17089E-02 ppm1      2.209 ppm2      3.875 CV     1
 ASSI {  559}
   (( segid "    " and resid 18   and name HE3 ))
   (  segid "    " and resid 86   and name HE% )
      4.000     2.000     2.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.55962E-03 ppm1      2.216 ppm2      7.685 CV     1
 ASSI {  560}
   (( segid "    " and resid 18   and name HH2 ))
   (  segid "    " and resid 86   and name HE% )
      4.000     2.000     2.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.49043E-03 ppm1      2.216 ppm2      7.541 CV     1
 ASSI {  561}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 86   and name HE% )
      3.400     1.500     1.500 peak   561 spectrum    1 weight  0.10000E+01 volume  0.13509E-02 ppm1      2.218 ppm2      4.018 CV     1
 ASSI {  562}
   (  segid "    " and resid 95   and name HG1%)
   (  segid "    " and resid 86   and name HE% )
      2.400     2.400     3.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.99589E-02 ppm1      2.218 ppm2      0.788 CV     1
 ASSI {  563}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HE% )
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.63786E-03 ppm1      2.218 ppm2      5.225 CV     1
 ASSI {  564}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 86   and name HE% )
      3.200     1.300     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.19527E-02 ppm1      2.219 ppm2      4.484 CV     1
 ASSI {  565}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 86   and name HE% )
      4.000     2.000     2.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.46936E-03 ppm1      2.219 ppm2      4.798 CV     1
 ASSI {  566}
   (( segid "    " and resid 86   and name HB3 ))
   (  segid "    " and resid 86   and name HE% )
      3.200     1.300     1.300 peak   566 spectrum    1 weight  0.10000E+01 volume  0.32494E-02 ppm1      2.219 ppm2      1.359 CV     1
 ASSI {  567}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 14   and name HA2 ))
      4.800     2.900     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.72211E-04 ppm1      2.220 ppm2      6.945 CV     1
 ASSI {  568}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG2 ))
      2.900     1.100     1.100 peak   568 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      2.248 ppm2      4.259 CV     1
 OR {  568}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG3 ))
 ASSI {  569}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 104  and name HG3 ))
      3.500     1.500     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.15916E-02 ppm1      2.252 ppm2      1.016 CV     1
 OR {  569}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  570}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 104  and name HG3 ))
      3.700     1.700     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.96280E-03 ppm1      2.259 ppm2      6.727 CV     1
 OR {  570}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  573}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      1.900     1.900     4.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.16277E-01 ppm1      2.297 ppm2      2.072 CV     1
 ASSI {  574}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.26206E-02 ppm1      2.298 ppm2      4.254 CV     1
 ASSI {  578}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HE2 ))
      2.500     0.800     0.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.57469E-02 ppm1      2.307 ppm2      1.111 CV     1
 OR {  578}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HE2 ))
 ASSI {  579}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HE2 ))
      3.600     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.13630E-02 ppm1      2.309 ppm2      0.583 CV     1
 ASSI {  580}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HE2 ))
      4.100     2.100     1.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.86353E-03 ppm1      2.310 ppm2      0.440 CV     1
 ASSI {  581}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.400     3.400     2.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.12577E-02 ppm1      2.312 ppm2      1.832 CV     1
 ASSI {  582}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
      4.000     2.000     2.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61979E-03 ppm1      2.320 ppm2      0.785 CV     1
 ASSI {  583}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.25665E-02 ppm1      2.320 ppm2      4.150 CV     1
 ASSI {  585}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.200     2.200     3.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.89662E-02 ppm1      2.321 ppm2      1.662 CV     1
 ASSI {  587}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.38512E-02 ppm1      2.330 ppm2      4.150 CV     1
 ASSI {  588}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
      2.700     2.700     3.300 peak   588 spectrum    1 weight  0.10000E+01 volume  0.12847E-02 ppm1      2.331 ppm2      0.901 CV     1
 ASSI {  589}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 27   and name HG2 ))
      3.500     1.600     1.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.74314E-03 ppm1      2.333 ppm2      0.894 CV     1
 ASSI {  590}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 60   and name HG3 ))
      3.000     1.100     1.100 peak   590 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      2.347 ppm2      3.165 CV     1
 OR {  590}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  591}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HG3 ))
      2.700     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      2.348 ppm2      1.436 CV     1
 ASSI {  592}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HB3 ))
      1.800     1.800     4.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.14622E-01 ppm1      2.348 ppm2      2.893 CV     1
 ASSI {  594}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 108  and name HB3 ))
      3.000     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      2.350 ppm2      0.932 CV     1
 ASSI {  600}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
      1.900     0.500     0.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12727E-01 ppm1      2.402 ppm2      3.496 CV     1
 ASSI {  601}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.800     1.000     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.39715E-02 ppm1      2.403 ppm2      4.189 CV     1
 ASSI {  602}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.200     1.300     1.300 peak   602 spectrum    1 weight  0.10000E+01 volume  0.31291E-02 ppm1      2.409 ppm2      4.040 CV     1
 ASSI {  603}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 9    and name HB3 ))
      3.400     1.400     1.400 peak   603 spectrum    1 weight  0.10000E+01 volume  0.18834E-02 ppm1      2.451 ppm2      6.811 CV     1
 ASSI {  605}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.700     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.46033E-02 ppm1      2.454 ppm2      3.417 CV     1
 ASSI {  607}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      2.100     2.100     3.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.77928E-02 ppm1      2.464 ppm2      3.153 CV     1
 ASSI {  610}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 71   and name HB3 ))
      3.300     1.400     1.400 peak   610 spectrum    1 weight  0.10000E+01 volume  0.16067E-02 ppm1      2.471 ppm2      1.001 CV     1
 ASSI {  611}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 36   and name HB3 ))
      3.400     1.400     1.400 peak   611 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      2.476 ppm2      4.016 CV     1
 ASSI {  614}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB3 ))
      3.300     1.300     1.300 peak   614 spectrum    1 weight  0.10000E+01 volume  0.17722E-02 ppm1      2.491 ppm2      4.504 CV     1
 ASSI {  617}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 73   and name HG3 ))
      3.700     1.700     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.68903E-03 ppm1      2.502 ppm2      6.730 CV     1
 ASSI {  618}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 73   and name HG3 ))
      3.300     1.400     1.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.76121E-03 ppm1      2.514 ppm2      5.650 CV     1
 ASSI {  620}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 73   and name HG3 ))
      3.400     3.400     2.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.23318E-02 ppm1      2.520 ppm2      0.601 CV     1
 ASSI {  622}
   (  segid "    " and resid 110  and name HE% )
   (( segid "    " and resid 110  and name HB2 ))
      3.500     1.500     1.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.16307E-02 ppm1      2.533 ppm2      7.549 CV     1
 ASSI {  624}
   (  segid "    " and resid 88   and name HE% )
   (( segid "    " and resid 88   and name HB2 ))
      3.300     1.400     1.400 peak   624 spectrum    1 weight  0.10000E+01 volume  0.25424E-02 ppm1      2.538 ppm2      6.394 CV     1
 ASSI {  625}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.600     2.600     3.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.18684E-02 ppm1      2.540 ppm2      2.360 CV     1
 ASSI {  627}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HB2 ))
      1.700     1.700     4.300 peak   627 spectrum    1 weight  0.10000E+01 volume  0.22595E-01 ppm1      2.541 ppm2      1.951 CV     1
 ASSI {  628}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 43   and name HG2 ))
      2.700     0.900     0.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.33999E-02 ppm1      2.549 ppm2      0.947 CV     1
 ASSI {  634}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
      1.900     1.900     4.100 peak   634 spectrum    1 weight  0.10000E+01 volume  0.19135E-01 ppm1      2.606 ppm2      3.059 CV     1
 ASSI {  638}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HG2 ))
      2.700     0.900     0.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.28733E-02 ppm1      2.617 ppm2      1.521 CV     1
 ASSI {  639}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 29   and name HA1 ))
      1.800     0.400     0.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.18594E-01 ppm1      2.629 ppm2      3.784 CV     1
 ASSI {  640}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.600     1.600     1.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.16157E-02 ppm1      2.684 ppm2      1.350 CV     1
 ASSI {  641}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      1.900     0.500     0.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.11102E-01 ppm1      2.695 ppm2      4.004 CV     1
 ASSI {  645}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.500     3.500     2.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.17691E-02 ppm1      2.704 ppm2      3.250 CV     1
 ASSI {  646}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.600     1.600     1.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.13690E-02 ppm1      2.707 ppm2      1.621 CV     1
 ASSI {  650}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HD3 ))
      2.600     0.800     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.42423E-02 ppm1      2.846 ppm2      1.350 CV     1
 OR {  650}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HD3 ))
 ASSI {  651}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HD3 ))
      2.900     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.26958E-02 ppm1      2.847 ppm2      1.628 CV     1
 OR {  651}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HD3 ))
 ASSI {  652}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HD3 ))
      1.700     1.700     4.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.27921E-01 ppm1      2.848 ppm2      3.047 CV     1
 ASSI {  653}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.000     3.000     3.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.25785E-02 ppm1      2.873 ppm2      3.553 CV     1
 ASSI {  654}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      1.800     1.800     4.200 peak   654 spectrum    1 weight  0.10000E+01 volume  0.16127E-01 ppm1      2.879 ppm2      3.040 CV     1
 ASSI {  655}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 108  and name HB2 ))
      2.800     1.000     1.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.26657E-02 ppm1      2.889 ppm2      0.927 CV     1
 ASSI {  656}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.400     1.400     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.15013E-02 ppm1      2.889 ppm2      0.267 CV     1
 ASSI {  658}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak   658 spectrum    1 weight  0.10000E+01 volume  0.15314E-02 ppm1      2.911 ppm2      7.188 CV     1
 ASSI {  660}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      2.914 ppm2      0.892 CV     1
 ASSI {  662}
   (  segid "    " and resid 110  and name HE% )
   (( segid "    " and resid 53   and name HA  ))
      2.800     2.800     3.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      2.914 ppm2      7.565 CV     1
 ASSI {  663}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
      2.100     0.500     0.500 peak   663 spectrum    1 weight  0.10000E+01 volume  0.12456E-01 ppm1      2.915 ppm2      1.097 CV     1
 ASSI {  664}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.11734E-01 ppm1      2.916 ppm2      1.295 CV     1
 ASSI {  665}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      2.917 ppm2      0.532 CV     1
 ASSI {  667}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.71005E-03 ppm1      2.923 ppm2     -0.153 CV     1
 ASSI {  670}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      1.700     1.700     4.300 peak   670 spectrum    1 weight  0.10000E+01 volume  0.26838E-01 ppm1      2.950 ppm2      3.243 CV     1
 ASSI {  671}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   671 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      3.024 ppm2      2.028 CV     1
 ASSI {  674}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.51149E-02 ppm1      3.030 ppm2      0.996 CV     1
 ASSI {  676}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      1.700     1.700     4.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14773E-01 ppm1      3.047 ppm2      3.448 CV     1
 ASSI {  677}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HD2 ))
      2.600     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.43025E-02 ppm1      3.047 ppm2      1.352 CV     1
 OR {  677}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HD2 ))
 ASSI {  678}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HD2 ))
      3.000     1.100     1.100 peak   678 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      3.048 ppm2      1.633 CV     1
 OR {  678}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HD2 ))
 ASSI {  680}
   (( segid "    " and resid 83   and name HG13))
   (( segid "    " and resid 98   and name HD2 ))
      4.200     2.200     1.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.40317E-03 ppm1      3.052 ppm2      0.979 CV     1
 ASSI {  682}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.900     1.900     1.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.52954E-03 ppm1      3.056 ppm2      4.383 CV     1
 ASSI {  683}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.500     2.500     3.500 peak   683 spectrum    1 weight  0.10000E+01 volume  0.42423E-02 ppm1      3.056 ppm2      3.548 CV     1
 ASSI {  685}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 109  and name HB2 ))
      4.200     2.200     1.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.38813E-03 ppm1      3.057 ppm2      0.937 CV     1
 ASSI {  688}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.900     1.900     4.100 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13359E-01 ppm1      3.067 ppm2      2.710 CV     1
 ASSI {  689}
   (( segid "    " and resid 55   and name HD3 ))
   (( segid "    " and resid 55   and name HE3 ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.13690E-01 ppm1      3.068 ppm2      1.692 CV     1
 OR {  689}
   (( segid "    " and resid 55   and name HD3 ))
   (( segid "    " and resid 55   and name HE2 ))
 ASSI {  690}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HE2 ))
      2.800     1.000     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.28793E-02 ppm1      3.068 ppm2      1.246 CV     1
 OR {  690}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HE3 ))
 ASSI {  691}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HE2 ))
      3.000     1.100     1.100 peak   691 spectrum    1 weight  0.10000E+01 volume  0.25605E-02 ppm1      3.069 ppm2      1.421 CV     1
 OR {  691}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HE3 ))
 ASSI {  695}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 109  and name HB2 ))
      3.300     1.400     1.400 peak   695 spectrum    1 weight  0.10000E+01 volume  0.12817E-02 ppm1      3.075 ppm2      0.749 CV     1
 ASSI {  696}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.900     0.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.30388E-02 ppm1      3.081 ppm2      0.906 CV     1
 ASSI {  698}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB3 ))
      1.900     0.500     0.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13509E-01 ppm1      3.088 ppm2      4.028 CV     1
 ASSI {  701}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.42122E-02 ppm1      3.149 ppm2      4.178 CV     1
 ASSI {  702}
   (( segid "    " and resid 38   and name HH2 ))
   (( segid "    " and resid 38   and name HB3 ))
      2.900     2.900     3.100 peak   702 spectrum    1 weight  0.10000E+01 volume  0.33397E-02 ppm1      3.159 ppm2      6.295 CV     1
 OR {  702}
   (( segid "    " and resid 38   and name HH2 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  705}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 38   and name HB3 ))
      2.500     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.41220E-02 ppm1      3.168 ppm2      0.852 CV     1
 OR {  705}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  706}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.700     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.31592E-02 ppm1      3.169 ppm2      4.198 CV     1
 OR {  706}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  708}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.700     1.700     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.75821E-03 ppm1      3.171 ppm2      5.935 CV     1
 OR {  708}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  708}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  708}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  709}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.900     1.900     4.100 peak   709 spectrum    1 weight  0.10000E+01 volume  0.16879E-01 ppm1      3.193 ppm2      2.456 CV     1
 ASSI {  710}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.300     2.300     3.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.78529E-02 ppm1      3.197 ppm2      3.413 CV     1
 ASSI {  711}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.97782E-03 ppm1      3.204 ppm2      6.813 CV     1
 ASSI {  712}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak   712 spectrum    1 weight  0.10000E+01 volume  0.82138E-03 ppm1      3.210 ppm2      0.993 CV     1
 ASSI {  715}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.14773E-02 ppm1      3.235 ppm2      5.898 CV     1
 ASSI {  721}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      1.900     1.900     4.100 peak   721 spectrum    1 weight  0.10000E+01 volume  0.13268E-01 ppm1      3.328 ppm2      3.068 CV     1
 ASSI {  722}
   (( segid "    " and resid 56   and name HA2 ))
   (( segid "    " and resid 56   and name HA1 ))
      1.700     0.400     0.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.28553E-01 ppm1      3.337 ppm2      4.133 CV     1
 ASSI {  723}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 56   and name HA1 ))
      2.700     0.900     0.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.23227E-02 ppm1      3.338 ppm2      6.650 CV     1
 ASSI {  725}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HB3 ))
      1.900     1.900     4.100 peak   725 spectrum    1 weight  0.10000E+01 volume  0.15766E-01 ppm1      3.368 ppm2      3.601 CV     1
 ASSI {  726}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 93   and name HB3 ))
      3.700     1.700     1.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.86654E-03 ppm1      3.380 ppm2      2.207 CV     1
 OR {  726}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 93   and name HB3 ))
 ASSI {  728}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   728 spectrum    1 weight  0.10000E+01 volume  0.19617E-02 ppm1      3.414 ppm2      6.381 CV     1
 ASSI {  731}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   731 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      3.417 ppm2      6.814 CV     1
 ASSI {  732}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HD3 ))
      2.900     1.000     1.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.53255E-02 ppm1      3.418 ppm2      1.873 CV     1
 OR {  732}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD3 ))
 ASSI {  734}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HD3 ))
      3.100     1.200     1.200 peak   734 spectrum    1 weight  0.10000E+01 volume  0.25334E-02 ppm1      3.419 ppm2      4.389 CV     1
 ASSI {  735}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HD3 ))
      3.900     1.900     1.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.37910E-03 ppm1      3.419 ppm2      0.917 CV     1
 ASSI {  738}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 79   and name HA1 ))
      3.200     1.300     1.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.20189E-02 ppm1      3.482 ppm2      1.386 CV     1
 ASSI {  739}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 53   and name HD3 ))
      4.900     3.000     1.100 peak   739 spectrum    1 weight  0.10000E+01 volume  0.28914E-03 ppm1      3.482 ppm2      0.863 CV     1
 ASSI {  740}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      1.900     1.900     4.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.11042E-01 ppm1      3.485 ppm2      2.937 CV     1
 ASSI {  742}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HA1 ))
      2.800     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.25183E-02 ppm1      3.486 ppm2      0.808 CV     1
 ASSI {  743}
   (( segid "    " and resid 79   and name HA2 ))
   (( segid "    " and resid 79   and name HA1 ))
      1.700     1.700     4.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.29937E-01 ppm1      3.488 ppm2      4.256 CV     1
 ASSI {  744}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HD3 ))
      6.000     5.400     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.52352E-04 ppm1      3.490 ppm2      1.115 CV     1
 ASSI {  749}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.100     0.500     0.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.12005E-01 ppm1      3.499 ppm2      1.745 CV     1
 ASSI {  750}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak   750 spectrum    1 weight  0.10000E+01 volume  0.16398E-02 ppm1      3.500 ppm2      2.206 CV     1
 ASSI {  751}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 55   and name HA  ))
      2.200     0.600     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.96280E-02 ppm1      3.502 ppm2      0.518 CV     1
 ASSI {  754}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.46936E-02 ppm1      3.550 ppm2      0.144 CV     1
 ASSI {  756}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.49644E-02 ppm1      3.554 ppm2      0.795 CV     1
 ASSI {  759}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.500     2.500     3.500 peak   759 spectrum    1 weight  0.10000E+01 volume  0.25454E-02 ppm1      3.573 ppm2      7.205 CV     1
 ASSI {  760}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
      1.800     0.400     0.400 peak   760 spectrum    1 weight  0.10000E+01 volume  0.21513E-01 ppm1      3.574 ppm2      2.782 CV     1
 ASSI {  761}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      1.700     1.700     4.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.27410E-01 ppm1      3.574 ppm2      2.818 CV     1
 ASSI {  764}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.800     2.800     3.200 peak   764 spectrum    1 weight  0.10000E+01 volume  0.29967E-02 ppm1      3.590 ppm2      4.114 CV     1
 ASSI {  765}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.600     1.700     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.84846E-03 ppm1      3.591 ppm2      1.343 CV     1
 ASSI {  766}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HB3 ))
      3.400     1.400     1.400 peak   766 spectrum    1 weight  0.10000E+01 volume  0.21513E-02 ppm1      3.596 ppm2      0.644 CV     1
 ASSI {  767}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 30   and name HB3 ))
      2.900     2.900     3.100 peak   767 spectrum    1 weight  0.10000E+01 volume  0.98688E-03 ppm1      3.597 ppm2      0.983 CV     1
 ASSI {  769}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.000     1.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.25605E-02 ppm1      3.599 ppm2      0.444 CV     1
 ASSI {  772}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HA  ))
      5.300     3.400     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.17511E-03 ppm1      3.607 ppm2     -0.015 CV     1
 ASSI {  773}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      2.100     0.600     0.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12787E-01 ppm1      3.621 ppm2      0.441 CV     1
 ASSI {  776}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      2.600     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.24401E-02 ppm1      3.663 ppm2      4.597 CV     1
 ASSI {  777}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.100     0.600     0.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11102E-01 ppm1      3.664 ppm2      1.088 CV     1
 ASSI {  778}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD2 ))
      2.800     0.900     0.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.17601E-02 ppm1      3.664 ppm2      1.756 CV     1
 ASSI {  779}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 53   and name HD2 ))
      3.800     3.800     2.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      3.664 ppm2      1.273 CV     1
 ASSI {  781}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HD2 ))
      3.600     1.700     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.12787E-02 ppm1      3.666 ppm2      1.105 CV     1
 ASSI {  784}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.94473E-02 ppm1      3.681 ppm2      1.087 CV     1
 ASSI {  786}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.300     2.300     3.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.10200E-01 ppm1      3.691 ppm2      4.332 CV     1
 ASSI {  787}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HD2 ))
      4.600     2.600     1.400 peak   787 spectrum    1 weight  0.10000E+01 volume  0.38813E-03 ppm1      3.700 ppm2      0.916 CV     1
 ASSI {  788}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 65   and name HD2 ))
      1.900     1.900     4.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.15886E-01 ppm1      3.703 ppm2      3.417 CV     1
 ASSI {  789}
   (( segid "    " and resid 65   and name HG3 ))
   (( segid "    " and resid 65   and name HD2 ))
      2.500     0.800     0.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.43927E-02 ppm1      3.706 ppm2      1.858 CV     1
 OR {  789}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HD2 ))
 ASSI {  790}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HD2 ))
      2.700     2.700     3.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      3.706 ppm2      4.390 CV     1
 ASSI {  792}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.200     2.200     3.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11523E-01 ppm1      3.707 ppm2      4.270 CV     1
 ASSI {  793}
   (  segid "    " and resid 110  and name HE% )
   (( segid "    " and resid 54   and name HB3 ))
      2.500     2.500     3.500 peak   793 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1      3.707 ppm2      7.553 CV     1
 ASSI {  796}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.12186E-02 ppm1      3.732 ppm2      1.219 CV     1
 ASSI {  797}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.000     1.200     1.200 peak   797 spectrum    1 weight  0.10000E+01 volume  0.19527E-02 ppm1      3.732 ppm2      1.368 CV     1
 ASSI {  798}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      2.600     0.900     0.900 peak   798 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      3.733 ppm2      0.648 CV     1
 ASSI {  799}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HB3 ))
      1.700     1.700     4.300 peak   799 spectrum    1 weight  0.10000E+01 volume  0.30689E-01 ppm1      3.741 ppm2      4.071 CV     1
 ASSI {  800}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.13268E-02 ppm1      3.743 ppm2      6.380 CV     1
 ASSI {  802}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HA1 ))
      1.800     1.800     4.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.21061E-01 ppm1      3.755 ppm2      4.194 CV     1
 ASSI {  803}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 17   and name HB  ))
      3.800     1.800     1.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.65894E-03 ppm1      3.757 ppm2     -0.136 CV     1
 ASSI {  804}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.11824E-01 ppm1      3.761 ppm2      0.877 CV     1
 ASSI {  806}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 17   and name HB  ))
      4.300     2.300     1.700 peak   806 spectrum    1 weight  0.10000E+01 volume  0.74013E-03 ppm1      3.765 ppm2      6.765 CV     1
 ASSI {  807}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB  ))
      2.500     2.500     3.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      3.767 ppm2      3.275 CV     1
 ASSI {  808}
   (( segid "    " and resid 32   and name HZ2 ))
   (( segid "    " and resid 17   and name HB  ))
      2.000     0.500     0.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.13840E-01 ppm1      3.773 ppm2      5.948 CV     1
 ASSI {  810}
   (( segid "    " and resid 65   and name HD3 ))
   (( segid "    " and resid 64   and name HA1 ))
      2.800     2.800     3.200 peak   810 spectrum    1 weight  0.10000E+01 volume  0.34600E-02 ppm1      3.785 ppm2      3.418 CV     1
 ASSI {  811}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB  ))
      3.000     1.100     1.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.18774E-02 ppm1      3.832 ppm2      5.277 CV     1
 ASSI {  813}
   (( segid "    " and resid 33   and name HA2 ))
   (( segid "    " and resid 33   and name HA1 ))
      1.800     1.800     4.200 peak   813 spectrum    1 weight  0.10000E+01 volume  0.17661E-01 ppm1      3.865 ppm2      4.331 CV     1
 ASSI {  814}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.65894E-02 ppm1      3.870 ppm2      5.644 CV     1
 ASSI {  817}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.55962E-02 ppm1      3.880 ppm2      0.512 CV     1
 ASSI {  818}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 102  and name HA  ))
      3.100     3.100     2.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.18504E-02 ppm1      3.899 ppm2      4.347 CV     1
 ASSI {  819}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 102  and name HA  ))
      2.100     0.500     0.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.16638E-01 ppm1      3.903 ppm2      1.396 CV     1
 ASSI {  820}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 44   and name HA2 ))
      1.700     1.700     4.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.28222E-01 ppm1      3.918 ppm2      3.796 CV     1
 ASSI {  821}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.200     0.600     0.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.12336E-01 ppm1      3.931 ppm2      1.103 CV     1
 ASSI {  822}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 61   and name HB2 ))
      3.500     1.500     1.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.88456E-03 ppm1      3.933 ppm2      0.106 CV     1
 ASSI {  824}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.20159E-02 ppm1      3.937 ppm2      7.071 CV     1
 ASSI {  825}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.19948E-02 ppm1      3.938 ppm2      6.729 CV     1
 ASSI {  827}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 91   and name HA1 ))
      2.300     2.300     3.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.68296E-02 ppm1      3.984 ppm2      3.538 CV     1
 OR {  827}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 91   and name HA1 ))
 ASSI {  828}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      2.100     0.500     0.500 peak   828 spectrum    1 weight  0.10000E+01 volume  0.17421E-01 ppm1      3.986 ppm2      1.341 CV     1
 ASSI {  831}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
      2.500     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.50547E-02 ppm1      3.989 ppm2      5.597 CV     1
 ASSI {  832}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 84   and name HB3 ))
      4.200     2.200     1.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.21121E-03 ppm1      3.993 ppm2      2.501 CV     1
 ASSI {  833}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.900     1.100     1.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.14021E-02 ppm1      3.994 ppm2      1.636 CV     1
 ASSI {  840}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.87254E-02 ppm1      4.031 ppm2      1.890 CV     1
 ASSI {  842}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 67   and name HA1 ))
      1.900     1.900     4.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.14021E-01 ppm1      4.034 ppm2      4.185 CV     1
 ASSI {  843}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 67   and name HA1 ))
      4.800     2.800     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.59271E-03 ppm1      4.035 ppm2      1.099 CV     1
 ASSI {  844}
   (  segid "    " and resid 110  and name HE% )
   (( segid "    " and resid 51   and name HB2 ))
      2.200     2.200     3.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.51149E-02 ppm1      4.038 ppm2      7.576 CV     1
 ASSI {  846}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.11373E-01 ppm1      4.039 ppm2      0.378 CV     1
 OR {  846}
   (( segid "    " and resid 28   and name HG13))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  849}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 105  and name HA  ))
      3.700     1.800     1.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.98688E-03 ppm1      4.054 ppm2      0.858 CV     1
 ASSI {  852}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.52653E-02 ppm1      4.057 ppm2      1.016 CV     1
 ASSI {  854}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 105  and name HA  ))
      2.500     0.800     0.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.42122E-02 ppm1      4.059 ppm2      7.070 CV     1
 ASSI {  856}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   856 spectrum    1 weight  0.10000E+01 volume  0.24641E-02 ppm1      4.079 ppm2      2.702 CV     1
 ASSI {  857}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   857 spectrum    1 weight  0.10000E+01 volume  0.14322E-02 ppm1      4.082 ppm2      7.678 CV     1
 ASSI {  858}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.11644E-02 ppm1      4.083 ppm2      2.059 CV     1
 ASSI {  861}
   (( segid "    " and resid 73   and name HG3 ))
   (( segid "    " and resid 84   and name HB2 ))
      3.800     1.800     1.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.42122E-03 ppm1      4.112 ppm2      2.491 CV     1
 ASSI {  862}
   (  segid "    " and resid 110  and name HE% )
   (( segid "    " and resid 48   and name HB  ))
      3.300     3.300     2.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.16939E-02 ppm1      4.113 ppm2      7.553 CV     1
 ASSI {  863}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.700     0.900     0.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.34299E-02 ppm1      4.116 ppm2      5.595 CV     1
 ASSI {  865}
   (( segid "    " and resid 92   and name HD3 ))
   (( segid "    " and resid 91   and name HA2 ))
      2.800     2.800     3.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.96881E-02 ppm1      4.121 ppm2      3.554 CV     1
 OR {  865}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 91   and name HA2 ))
 ASSI {  866}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 82   and name HB  ))
      3.100     3.100     2.900 peak   866 spectrum    1 weight  0.10000E+01 volume  0.20550E-02 ppm1      4.127 ppm2      4.807 CV     1
 ASSI {  867}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak   867 spectrum    1 weight  0.10000E+01 volume  0.11313E-02 ppm1      4.130 ppm2      6.375 CV     1
 ASSI {  869}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     2.500     3.500 peak   869 spectrum    1 weight  0.10000E+01 volume  0.55061E-02 ppm1      4.131 ppm2      3.732 CV     1
 ASSI {  872}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 56   and name HA2 ))
      2.500     2.500     3.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.21723E-02 ppm1      4.134 ppm2      6.644 CV     1
 ASSI {  873}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.38512E-02 ppm1      4.147 ppm2      1.662 CV     1
 ASSI {  874}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.67395E-02 ppm1      4.150 ppm2      2.328 CV     1
 OR {  874}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  876}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
      1.700     1.700     4.300 peak   876 spectrum    1 weight  0.10000E+01 volume  0.31291E-01 ppm1      4.155 ppm2      3.999 CV     1
 ASSI {  877}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     3.000     3.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.20820E-02 ppm1      4.164 ppm2      4.540 CV     1
 ASSI {  878}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   878 spectrum    1 weight  0.10000E+01 volume  0.24160E-02 ppm1      4.169 ppm2      0.964 CV     1
 ASSI {  879}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.33999E-02 ppm1      4.175 ppm2      2.469 CV     1
 ASSI {  880}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.96580E-02 ppm1      4.176 ppm2      1.147 CV     1
 ASSI {  885}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.700     3.700     2.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.38512E-03 ppm1      4.191 ppm2      3.499 CV     1
 ASSI {  886}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 67   and name HA2 ))
      3.000     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.18113E-02 ppm1      4.193 ppm2      2.479 CV     1
 ASSI {  887}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.12967E-02 ppm1      4.194 ppm2      0.866 CV     1
 ASSI {  889}
   (( segid "    " and resid 103  and name HB3 ))
   (( segid "    " and resid 103  and name HA  ))
      2.300     2.300     3.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10651E-01 ppm1      4.197 ppm2      3.876 CV     1
 OR {  889}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI {  890}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.28192E-02 ppm1      4.197 ppm2      2.608 CV     1
 OR {  890}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  894}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.51750E-02 ppm1      4.200 ppm2      0.442 CV     1
 ASSI {  895}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 38   and name HA  ))
      4.500     2.500     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.38211E-03 ppm1      4.203 ppm2      5.923 CV     1
 ASSI {  896}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.69203E-03 ppm1      4.203 ppm2      1.125 CV     1
 ASSI {  897}
   (( segid "    " and resid 4    and name HG13))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.62279E-03 ppm1      4.203 ppm2      1.388 CV     1
 OR {  897}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  898}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      4.203 ppm2      1.826 CV     1
 ASSI {  899}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.27500E-02 ppm1      4.205 ppm2      0.809 CV     1
 ASSI {  900}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     3.500     2.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.13961E-02 ppm1      4.206 ppm2      4.800 CV     1
 ASSI {  902}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.40016E-02 ppm1      4.209 ppm2      1.322 CV     1
 ASSI {  903}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.52352E-02 ppm1      4.211 ppm2      0.954 CV     1
 ASSI {  904}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
      4.300     2.300     1.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.44228E-03 ppm1      4.215 ppm2      0.116 CV     1
 ASSI {  906}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak   906 spectrum    1 weight  0.10000E+01 volume  0.51449E-02 ppm1      4.240 ppm2      6.653 CV     1
 ASSI {  908}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.11373E-01 ppm1      4.247 ppm2      0.632 CV     1
 ASSI {  909}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.53555E-02 ppm1      4.247 ppm2      1.245 CV     1
 ASSI {  910}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.64988E-02 ppm1      4.248 ppm2      1.435 CV     1
 ASSI {  911}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   911 spectrum    1 weight  0.10000E+01 volume  0.18083E-02 ppm1      4.255 ppm2      6.796 CV     1
 ASSI {  912}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 79   and name HA2 ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.47538E-02 ppm1      4.255 ppm2      1.390 CV     1
 ASSI {  915}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 79   and name HA2 ))
      3.500     1.600     1.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.15254E-02 ppm1      4.262 ppm2      0.806 CV     1
 ASSI {  916}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 100  and name HA  ))
      3.000     1.100     1.100 peak   916 spectrum    1 weight  0.10000E+01 volume  0.18083E-02 ppm1      4.272 ppm2      1.226 CV     1
 ASSI {  922}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      4.280 ppm2      1.835 CV     1
 ASSI {  923}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
      2.200     0.600     0.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.98087E-02 ppm1      4.288 ppm2      1.010 CV     1
 ASSI {  924}
   (( segid "    " and resid 113  and name HG13))
   (( segid "    " and resid 113  and name HA  ))
      3.200     1.300     1.300 peak   924 spectrum    1 weight  0.10000E+01 volume  0.16999E-02 ppm1      4.304 ppm2      1.267 CV     1
 ASSI {  925}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.50547E-02 ppm1      4.305 ppm2      1.859 CV     1
 ASSI {  926}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 113  and name HA  ))
      2.600     0.900     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.37309E-02 ppm1      4.306 ppm2      7.690 CV     1
 ASSI {  927}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.24581E-02 ppm1      4.307 ppm2      2.549 CV     1
 ASSI {  928}
   (( segid "    " and resid 113  and name HG12))
   (( segid "    " and resid 113  and name HA  ))
      3.100     1.200     1.200 peak   928 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      4.307 ppm2      1.461 CV     1
 ASSI {  929}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.55962E-02 ppm1      4.307 ppm2      0.894 CV     1
 ASSI {  930}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.100     0.600     0.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.13901E-01 ppm1      4.309 ppm2      2.110 CV     1
 OR {  930}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  931}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.37609E-02 ppm1      4.311 ppm2      2.355 CV     1
 ASSI {  932}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.72812E-02 ppm1      4.318 ppm2      0.544 CV     1
 ASSI {  933}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      2.200     0.600     0.600 peak   933 spectrum    1 weight  0.10000E+01 volume  0.92065E-02 ppm1      4.318 ppm2      0.814 CV     1
 ASSI {  935}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      4.319 ppm2      1.748 CV     1
 ASSI {  937}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.400     3.400     2.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.71605E-03 ppm1      4.324 ppm2      3.778 CV     1
 ASSI {  938}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.300     1.300     1.300 peak   938 spectrum    1 weight  0.10000E+01 volume  0.24100E-02 ppm1      4.329 ppm2      1.413 CV     1
 ASSI {  941}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HA  ))
      2.100     2.100     3.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.15706E-01 ppm1      4.346 ppm2      3.969 CV     1
 OR {  941}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  942}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.100     1.100 peak   942 spectrum    1 weight  0.10000E+01 volume  0.23047E-02 ppm1      4.348 ppm2      2.937 CV     1
 ASSI {  943}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      4.349 ppm2      7.216 CV     1
 ASSI {  944}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.29516E-02 ppm1      4.350 ppm2      3.481 CV     1
 ASSI {  945}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 88   and name HA  ))
      2.800     1.000     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.22806E-02 ppm1      4.358 ppm2      6.239 CV     1
 ASSI {  946}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.300     0.600     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.71305E-02 ppm1      4.360 ppm2      2.517 CV     1
 ASSI {  947}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      4.379 ppm2      2.018 CV     1
 ASSI {  948}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   948 spectrum    1 weight  0.10000E+01 volume  0.20760E-02 ppm1      4.379 ppm2      2.531 CV     1
 ASSI {  949}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17210E-02 ppm1      4.379 ppm2      7.345 CV     1
 ASSI {  951}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.800     0.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.44529E-02 ppm1      4.380 ppm2      2.215 CV     1
 OR {  951}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  953}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.47839E-02 ppm1      4.381 ppm2      2.933 CV     1
 ASSI {  954}
   (( segid "    " and resid 111  and name HG12))
   (( segid "    " and resid 111  and name HA  ))
      2.900     1.000     1.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.26778E-02 ppm1      4.383 ppm2      1.598 CV     1
 ASSI {  955}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 111  and name HA  ))
      2.500     0.800     0.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.46334E-02 ppm1      4.384 ppm2      5.474 CV     1
 ASSI {  956}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   956 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      4.384 ppm2      7.210 CV     1
 ASSI {  957}
   (  segid "    " and resid 111  and name HG2%)
   (( segid "    " and resid 111  and name HA  ))
      2.100     0.500     0.500 peak   957 spectrum    1 weight  0.10000E+01 volume  0.13118E-01 ppm1      4.387 ppm2      0.754 CV     1
 ASSI {  958}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   958 spectrum    1 weight  0.10000E+01 volume  0.19015E-02 ppm1      4.388 ppm2      6.669 CV     1
 ASSI {  959}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HA  ))
      2.500     0.800     0.800 peak   959 spectrum    1 weight  0.10000E+01 volume  0.31592E-02 ppm1      4.388 ppm2      1.964 CV     1
 ASSI {  963}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.69803E-02 ppm1      4.392 ppm2      2.483 CV     1
 ASSI {  964}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     2.100     3.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.18173E-01 ppm1      4.400 ppm2      3.840 CV     1
 OR {  964}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  965}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.78529E-02 ppm1      4.463 ppm2      0.979 CV     1
 ASSI {  966}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.39715E-02 ppm1      4.469 ppm2      0.440 CV     1
 ASSI {  967}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.53555E-02 ppm1      4.470 ppm2      2.606 CV     1
 OR {  967}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  968}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     6.000     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.24822E-04 ppm1      4.478 ppm2      5.150 CV     1
 ASSI {  972}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
      5.200     3.400     0.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.36405E-04 ppm1      4.483 ppm2      1.808 CV     1
 ASSI {  973}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.30388E-02 ppm1      4.483 ppm2      7.147 CV     1
 ASSI {  975}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     5.400     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.67095E-04 ppm1      4.485 ppm2      2.320 CV     1
 ASSI {  976}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.600     0.900     0.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.27741E-02 ppm1      4.486 ppm2      2.225 CV     1
 ASSI {  977}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.000     1.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.16428E-02 ppm1      4.490 ppm2      3.366 CV     1
 ASSI {  978}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      2.200     0.600     0.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.10049E-01 ppm1      4.504 ppm2      2.567 CV     1
 ASSI {  979}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.55962E-02 ppm1      4.571 ppm2      2.608 CV     1
 ASSI {  980}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.39715E-02 ppm1      4.574 ppm2      3.056 CV     1
 ASSI {  982}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.43927E-02 ppm1      4.587 ppm2      3.063 CV     1
 ASSI {  983}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.100     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.16247E-02 ppm1      4.587 ppm2      2.699 CV     1
 ASSI {  984}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.12817E-02 ppm1      4.587 ppm2      7.700 CV     1
 ASSI {  985}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
      4.600     2.700     1.400 peak   985 spectrum    1 weight  0.10000E+01 volume  0.49343E-03 ppm1      4.592 ppm2      1.741 CV     1
 ASSI {  986}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.84846E-02 ppm1      4.593 ppm2      3.084 CV     1
 ASSI {  987}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.65588E-02 ppm1      4.594 ppm2      1.102 CV     1
 ASSI {  989}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.64988E-02 ppm1      4.595 ppm2      3.499 CV     1
 ASSI {  990}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     2.700     3.300 peak   990 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      4.595 ppm2      3.930 CV     1
 ASSI {  991}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.18714E-02 ppm1      4.604 ppm2      1.567 CV     1
 ASSI {  992}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HA  ))
      3.000     1.100     1.100 peak   992 spectrum    1 weight  0.10000E+01 volume  0.28553E-02 ppm1      4.615 ppm2      2.892 CV     1
 ASSI {  993}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 108  and name HA  ))
      2.900     1.000     1.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.16488E-02 ppm1      4.615 ppm2      2.359 CV     1
 ASSI {  994}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.33397E-02 ppm1      4.616 ppm2      7.074 CV     1
 ASSI {  995}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HA  ))
      2.200     2.200     3.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.16879E-01 ppm1      4.617 ppm2      4.061 CV     1
 ASSI {  996}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 94   and name HA  ))
      2.500     0.800     0.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.43627E-02 ppm1      4.623 ppm2      3.747 CV     1
 ASSI {  997}
   (  segid "    " and resid 45   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.12035E-01 ppm1      4.623 ppm2      1.853 CV     1
 ASSI {  998}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak   998 spectrum    1 weight  0.10000E+01 volume  0.10230E-01 ppm1      4.628 ppm2      1.111 CV     1
 ASSI {  999}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 94   and name HA  ))
      3.800     1.800     1.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.12546E-02 ppm1      4.636 ppm2      0.796 CV     1
 ASSI { 1000}
   (( segid "    " and resid 98   and name HG3 ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      4.643 ppm2      1.350 CV     1
 OR { 1000}
   (( segid "    " and resid 98   and name HG2 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1001}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
      2.300     0.700     0.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.81838E-02 ppm1      4.643 ppm2      1.627 CV     1
 OR { 1001}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1002}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB  ))
      2.600     2.600     3.400 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.46334E-02 ppm1      4.651 ppm2      4.472 CV     1
 ASSI { 1003}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HB  ))
      2.200     0.600     0.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.12637E-01 ppm1      4.652 ppm2      0.983 CV     1
 ASSI { 1006}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.12486E-01 ppm1      4.689 ppm2      0.859 CV     1
 ASSI { 1007}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 106  and name HA2 ))
      3.100     3.100     2.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.40919E-02 ppm1      4.703 ppm2      3.510 CV     1
 ASSI { 1008}
   (( segid "    " and resid 106  and name HA1 ))
   (( segid "    " and resid 106  and name HA2 ))
      2.300     0.700     0.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.52352E-02 ppm1      4.703 ppm2      3.866 CV     1
 ASSI { 1009}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.300     3.300     2.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.65894E-03 ppm1      4.709 ppm2      0.807 CV     1
 ASSI { 1010}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      2.600     0.900     0.900 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.26717E-02 ppm1      4.713 ppm2      2.006 CV     1
 ASSI { 1011}
   (( segid "    " and resid 58   and name HG13))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.55962E-02 ppm1      4.715 ppm2      1.000 CV     1
 OR { 1011}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1012}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.61078E-02 ppm1      4.715 ppm2      1.132 CV     1
 ASSI { 1013}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.28402E-02 ppm1      4.715 ppm2      1.846 CV     1
 ASSI { 1014}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.43627E-02 ppm1      4.725 ppm2      3.072 CV     1
 ASSI { 1015}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.900     1.100     1.100 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      4.725 ppm2      3.324 CV     1
 ASSI { 1016}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.83645E-03 ppm1      4.728 ppm2      0.751 CV     1
 ASSI { 1017}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.38813E-02 ppm1      4.782 ppm2      2.787 CV     1
 ASSI { 1019}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.64087E-02 ppm1      4.794 ppm2      0.813 CV     1
 OR { 1019}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1020}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     2.600     3.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.21844E-02 ppm1      4.794 ppm2      5.213 CV     1
 ASSI { 1021}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 95   and name HA  ))
      2.800     1.000     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.18383E-02 ppm1      4.795 ppm2      1.885 CV     1
 ASSI { 1022}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.300     1.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      4.802 ppm2      0.830 CV     1
 ASSI { 1023}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 95   and name HA  ))
      3.700     1.700     1.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.14322E-02 ppm1      4.803 ppm2      2.222 CV     1
 OR { 1023}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1024}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HA  ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.37910E-02 ppm1      4.805 ppm2      3.793 CV     1
 ASSI { 1025}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
      2.700     2.700     3.300 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.34299E-02 ppm1      4.805 ppm2      4.064 CV     1
 ASSI { 1026}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
      2.500     2.500     3.500 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.24972E-02 ppm1      4.810 ppm2      0.894 CV     1
 ASSI { 1027}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.100     3.100     2.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.29456E-02 ppm1      4.825 ppm2      1.627 CV     1
 ASSI { 1028}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     3.200     2.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.23980E-02 ppm1      4.826 ppm2      3.571 CV     1
 ASSI { 1029}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 95   and name HA  ))
      4.400     2.500     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.70704E-03 ppm1      4.826 ppm2      1.362 CV     1
 ASSI { 1031}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.20068E-02 ppm1      4.890 ppm2      3.210 CV     1
 ASSI { 1032}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.40016E-02 ppm1      4.890 ppm2      2.478 CV     1
 ASSI { 1033}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.37309E-02 ppm1      4.891 ppm2      6.724 CV     1
 ASSI { 1035}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.12516E-02 ppm1      4.915 ppm2      3.680 CV     1
 ASSI { 1036}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.40317E-02 ppm1      4.916 ppm2      3.941 CV     1
 ASSI { 1037}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.300     1.300 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.97181E-03 ppm1      4.916 ppm2      7.076 CV     1
 ASSI { 1038}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.200     2.200     1.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.39715E-03 ppm1      4.996 ppm2      1.140 CV     1
 ASSI { 1040}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.12877E-02 ppm1      5.000 ppm2      2.200 CV     1
 ASSI { 1041}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.300     1.300 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.14803E-02 ppm1      5.000 ppm2      0.108 CV     1
 ASSI { 1042}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     2.500     3.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.42423E-02 ppm1      5.004 ppm2      5.321 CV     1
 ASSI { 1043}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      4.700     2.800     1.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.27711E-03 ppm1      5.004 ppm2      1.671 CV     1
 ASSI { 1044}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.33096E-02 ppm1      5.004 ppm2      1.436 CV     1
 ASSI { 1045}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.41821E-02 ppm1      5.005 ppm2      0.604 CV     1
 ASSI { 1046}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     2.700     3.300 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.33999E-02 ppm1      5.005 ppm2      2.529 CV     1
 ASSI { 1047}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 109  and name HA  ))
      3.200     1.300     1.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.14171E-02 ppm1      5.021 ppm2      0.752 CV     1
 ASSI { 1048}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HA  ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.52051E-02 ppm1      5.023 ppm2      2.055 CV     1
 ASSI { 1050}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      3.100     3.100     2.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.12697E-02 ppm1      5.027 ppm2      5.722 CV     1
 ASSI { 1052}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.25574E-02 ppm1      5.039 ppm2      3.145 CV     1
 ASSI { 1053}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.21844E-02 ppm1      5.042 ppm2      1.095 CV     1
 ASSI { 1054}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.400     1.400 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.10561E-02 ppm1      5.047 ppm2      2.509 CV     1
 ASSI { 1055}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.17812E-02 ppm1      5.055 ppm2      1.341 CV     1
 ASSI { 1056}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.900     0.900 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.56262E-02 ppm1      5.055 ppm2      2.789 CV     1
 ASSI { 1057}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.900     0.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.36105E-02 ppm1      5.060 ppm2      3.574 CV     1
 ASSI { 1059}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.900     0.900 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.33698E-02 ppm1      5.149 ppm2      2.290 CV     1
 ASSI { 1060}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.23107E-02 ppm1      5.149 ppm2      7.226 CV     1
 ASSI { 1061}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.24401E-02 ppm1      5.150 ppm2      1.802 CV     1
 ASSI { 1063}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.100     1.100 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.33096E-02 ppm1      5.157 ppm2      6.672 CV     1
 ASSI { 1064}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 82   and name HA  ))
      3.100     1.200     1.200 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.16277E-02 ppm1      5.185 ppm2      4.120 CV     1
 ASSI { 1066}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.65288E-02 ppm1      5.189 ppm2      1.118 CV     1
 ASSI { 1067}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      3.800     3.800     2.200 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.11614E-02 ppm1      5.190 ppm2      3.892 CV     1
 ASSI { 1068}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      3.900     1.900     1.900 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.11102E-02 ppm1      5.208 ppm2      0.808 CV     1
 OR { 1068}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1069}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      5.211 ppm2      2.213 CV     1
 OR { 1069}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1070}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.31592E-02 ppm1      5.213 ppm2      1.357 CV     1
 ASSI { 1072}
   (( segid "    " and resid 86   and name HG3 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.16728E-02 ppm1      5.216 ppm2      2.066 CV     1
 ASSI { 1075}
   (  segid "    " and resid 99   and name HG2%)
   (( segid "    " and resid 99   and name HA  ))
      2.400     0.700     0.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.67696E-02 ppm1      5.282 ppm2      0.974 CV     1
 ASSI { 1076}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.28042E-02 ppm1      5.291 ppm2      2.543 CV     1
 ASSI { 1077}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HA  ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.46033E-02 ppm1      5.292 ppm2      1.950 CV     1
 ASSI { 1078}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      2.900     1.000     1.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      5.293 ppm2      4.204 CV     1
 ASSI { 1080}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.12456E-02 ppm1      5.310 ppm2      0.124 CV     1
 ASSI { 1081}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 110  and name HA  ))
      3.300     1.400     1.400 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.25574E-02 ppm1      5.311 ppm2      0.863 CV     1
 ASSI { 1083}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.46033E-02 ppm1      5.319 ppm2      1.666 CV     1
 ASSI { 1084}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      2.400     0.700     0.700 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.50246E-02 ppm1      5.320 ppm2      0.603 CV     1
 ASSI { 1085}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      3.200     1.300     1.300 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.17842E-02 ppm1      5.323 ppm2     -0.138 CV     1
 ASSI { 1088}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.32494E-02 ppm1      5.471 ppm2      1.900 CV     1
 ASSI { 1090}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.88756E-02 ppm1      5.473 ppm2      0.755 CV     1
 ASSI { 1091}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.700     0.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.92065E-02 ppm1      5.473 ppm2      0.943 CV     1
 ASSI { 1093}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
      3.600     1.700     1.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.73112E-03 ppm1      5.593 ppm2      0.832 CV     1
 ASSI { 1095}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HA  ))
      2.300     0.700     0.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.80637E-02 ppm1      5.619 ppm2      3.695 CV     1
 OR { 1095}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI { 1100}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
      4.400     2.400     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.56562E-03 ppm1      5.646 ppm2      2.622 CV     1
 ASSI { 1102}
   (  segid "    " and resid 110  and name HD% )
   (( segid "    " and resid 51   and name HA  ))
      2.600     2.600     3.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.43025E-02 ppm1      5.724 ppm2      6.494 CV     1
 ASSI { 1103}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     0.900     0.900 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.24972E-02 ppm1      5.728 ppm2      3.091 CV     1
 ASSI { 1104}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.37008E-02 ppm1      5.728 ppm2      4.026 CV     1
 ASSI { 1107}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 38   and name HE3 ))
      2.800     1.000     1.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.24611E-02 ppm1      0.600 ppm2      7.309 CV     1
 ASSI { 1108}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 38   and name HD1 ))
      4.400     2.500     1.600 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.25334E-03 ppm1      0.890 ppm2      7.189 CV     1
 ASSI { 1109}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 38   and name HH2 ))
      6.000     5.200     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.36105E-04 ppm1      0.910 ppm2      6.276 CV     1
 ASSI { 1110}
   (( segid "    " and resid 83   and name HG13))
   (( segid "    " and resid 83   and name HA  ))
      3.700     1.700     1.700 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.70104E-03 ppm1      0.942 ppm2      5.641 CV     1
 ASSI { 1111}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 38   and name HE3 ))
      3.100     1.200     1.200 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.30057E-02 ppm1      1.136 ppm2      7.311 CV     1
 ASSI { 1112}
   (( segid "    " and resid 86   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      5.300     3.500     0.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.12035E-03 ppm1      1.372 ppm2      7.232 CV     1
 ASSI { 1113}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      3.200     1.300     1.300 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.98688E-03 ppm1      1.634 ppm2      7.229 CV     1
 ASSI { 1114}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 69   and name HG2%)
      2.300     0.700     0.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.59871E-02 ppm1      1.666 ppm2     -0.136 CV     1
 ASSI { 1115}
   (( segid "    " and resid 65   and name HG3 ))
   (  segid "    " and resid 66   and name HD% )
      2.400     0.700     0.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.24100E-01 ppm1      1.833 ppm2      7.270 CV     1
 ASSI { 1116}
   (( segid "    " and resid 65   and name HG2 ))
   (  segid "    " and resid 66   and name HD% )
      3.500     1.500     1.500 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.58670E-03 ppm1      1.888 ppm2      7.269 CV     1
 ASSI { 1117}
   (( segid "    " and resid 110  and name HB3 ))
   (  segid "    " and resid 110  and name HD% )
      4.300     2.300     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.21212E-03 ppm1      1.939 ppm2      6.487 CV     1
 ASSI { 1119}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HG3 ))
      3.300     1.300     1.300 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.13780E-02 ppm1      2.006 ppm2     -0.012 CV     1
 ASSI { 1121}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HA  ))
      4.500     2.500     1.500 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.40618E-03 ppm1      2.080 ppm2      4.044 CV     1
 ASSI { 1122}
   (( segid "    " and resid 14   and name HA2 ))
   (  segid "    " and resid 93   and name HD% )
      4.500     2.500     1.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.16097E-03 ppm1      2.195 ppm2      7.166 CV     1
 ASSI { 1123}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 19   and name HD% )
      2.400     0.700     0.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.67395E-02 ppm1      2.218 ppm2      7.224 CV     1
 ASSI { 1124}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 93   and name HA  ))
      4.200     2.200     1.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.37910E-03 ppm1      2.232 ppm2      4.482 CV     1
 ASSI { 1125}
   (( segid "    " and resid 14   and name HA1 ))
   (  segid "    " and resid 93   and name HD% )
      3.700     1.700     1.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.68597E-03 ppm1      2.245 ppm2      7.153 CV     1
 ASSI { 1126}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HG3 ))
      2.600     0.800     0.800 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.23077E-02 ppm1      2.304 ppm2     -0.013 CV     1
 ASSI { 1127}
   (( segid "    " and resid 108  and name HB3 ))
   (  segid "    " and resid 108  and name HD% )
      2.800     1.000     1.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      2.347 ppm2      7.073 CV     1
 ASSI { 1128}
   (( segid "    " and resid 71   and name HB3 ))
   (  segid "    " and resid 71   and name HD% )
      2.400     0.700     0.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.45432E-02 ppm1      2.475 ppm2      6.723 CV     1
 ASSI { 1129}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.900     0.400     0.400 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.10079E-01 ppm1      2.475 ppm2      3.221 CV     1
 ASSI { 1132}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     2.600     3.400 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.36405E-02 ppm1      2.529 ppm2      3.163 CV     1
 OR { 1132}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1136}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      2.400     0.700     0.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.47839E-02 ppm1      2.697 ppm2      7.230 CV     1
 ASSI { 1137}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 47   and name HD% )
      2.800     1.000     1.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.20850E-02 ppm1      2.702 ppm2      7.706 CV     1
 ASSI { 1138}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 66   and name HD% )
      2.900     1.000     1.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.23378E-02 ppm1      2.817 ppm2      7.260 CV     1
 ASSI { 1140}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD% )
      2.700     0.900     0.900 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.26116E-02 ppm1      2.879 ppm2      6.809 CV     1
 ASSI { 1141}
   (( segid "    " and resid 108  and name HB2 ))
   (  segid "    " and resid 108  and name HD% )
      2.500     0.800     0.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      2.895 ppm2      7.072 CV     1
 ASSI { 1142}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 66   and name HD% )
      3.000     1.100     1.100 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.14893E-02 ppm1      2.933 ppm2      7.250 CV     1
 ASSI { 1143}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.200     1.200 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      2.935 ppm2      7.216 CV     1
 ASSI { 1144}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.11584E-02 ppm1      2.941 ppm2      4.800 CV     1
 ASSI { 1148}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD% )
      3.000     1.100     1.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.16518E-02 ppm1      3.060 ppm2      7.698 CV     1
 ASSI { 1149}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HE3 ))
      2.700     0.900     0.900 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.31291E-02 ppm1      3.167 ppm2      7.318 CV     1
 OR { 1149}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HE3 ))
 ASSI { 1150}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 71   and name HD% )
      2.500     0.800     0.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.36105E-02 ppm1      3.214 ppm2      6.722 CV     1
 ASSI { 1151}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 47   and name HZ  ))
      3.100     3.100     2.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.13088E-02 ppm1      3.238 ppm2      7.093 CV     1
 ASSI { 1152}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.600     1.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.89056E-03 ppm1      3.250 ppm2      4.808 CV     1
 ASSI { 1153}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 66   and name HD% )
      3.400     1.500     1.500 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.92671E-03 ppm1      3.270 ppm2      7.263 CV     1
 ASSI { 1154}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 93   and name HD% )
      2.800     1.000     1.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.29004E-02 ppm1      3.369 ppm2      7.145 CV     1
 ASSI { 1155}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 21   and name HE% )
      3.500     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      3.392 ppm2      6.359 CV     1
 ASSI { 1156}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HE3 ))
      3.600     1.600     1.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.18594E-02 ppm1      3.431 ppm2      7.691 CV     1
 ASSI { 1157}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      2.900     1.000     1.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.19015E-02 ppm1      3.493 ppm2      7.214 CV     1
 ASSI { 1158}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      3.400     1.400     1.400 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.20850E-02 ppm1      3.499 ppm2      6.396 CV     1
 ASSI { 1159}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 25   and name HA2 ))
      1.900     0.400     0.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.19948E-01 ppm1      3.528 ppm2      3.748 CV     1
 ASSI { 1161}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 93   and name HD% )
      3.000     1.100     1.100 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.17722E-02 ppm1      3.594 ppm2      7.144 CV     1
 ASSI { 1163}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 38   and name HD1 ))
      3.600     1.600     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.13991E-02 ppm1      3.764 ppm2      7.195 CV     1
 ASSI { 1164}
   (( segid "    " and resid 17   and name HB  ))
   (  segid "    " and resid 17   and name HG2%)
      2.200     0.600     0.600 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.78529E-02 ppm1      3.765 ppm2      0.894 CV     1
 ASSI { 1165}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HA2 ))
      1.900     0.500     0.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.15856E-01 ppm1      3.785 ppm2      4.392 CV     1
 ASSI { 1166}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
      1.800     0.400     0.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.21543E-01 ppm1      3.956 ppm2      3.707 CV     1
 ASSI { 1168}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.400     0.700     0.700 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.45131E-02 ppm1      4.318 ppm2      1.856 CV     1
 ASSI { 1169}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD1 ))
      2.700     2.700     3.300 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.42724E-02 ppm1      4.469 ppm2      6.656 CV     1
 ASSI { 1170}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD% )
      2.800     1.000     1.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.38211E-02 ppm1      4.894 ppm2      7.262 CV     1
 ASSI { 1171}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.45733E-02 ppm1      4.894 ppm2      3.569 CV     1
 ASSI { 1172}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
      2.800     1.000     1.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.24822E-02 ppm1      4.896 ppm2      2.817 CV     1
 ASSI {    1}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 28   and name HG12))
      3.000     1.200     1.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.18611E-02 ppm1      5.892 ppm2      0.723 CV     1
 ASSI {    3}
   (( segid "    " and resid 32   and name HZ3 ))
   (  segid "    " and resid 47   and name HE% )
      2.800     2.800     3.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.41593E-02 ppm1      5.895 ppm2      7.630 CV     1
 ASSI {    4}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 38   and name HH2 ))
      2.600     2.600     3.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.34778E-02 ppm1      5.896 ppm2      6.288 CV     1
 ASSI {    5}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 38   and name HZ2 ))
      2.600     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.39713E-02 ppm1      5.897 ppm2      7.096 CV     1
 ASSI {    6}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 28   and name HG13))
      3.400     1.500     1.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.26788E-02 ppm1      5.898 ppm2      0.375 CV     1
 OR {    6}
   (( segid "    " and resid 32   and name HZ3 ))
   (  segid "    " and resid 28   and name HG2%)
 ASSI {    7}
   (( segid "    " and resid 32   and name HZ3 ))
   (  segid "    " and resid 111  and name HD1%)
      2.800     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.25379E-02 ppm1      5.899 ppm2      0.894 CV     1
 ASSI {    8}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 32   and name HB3 ))
      2.800     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.21948E-02 ppm1      5.931 ppm2      2.610 CV     1
 OR {    8}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {    9}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.200     3.200     2.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.16097E-02 ppm1      5.931 ppm2      3.146 CV     1
 OR {    9}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {   10}
   (( segid "    " and resid 32   and name HZ2 ))
   (  segid "    " and resid 17   and name HG2%)
      3.500     1.600     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.21149E-02 ppm1      5.951 ppm2      0.891 CV     1
 ASSI {   12}
   (( segid "    " and resid 32   and name HZ2 ))
   (( segid "    " and resid 32   and name HH2 ))
      2.600     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.30548E-02 ppm1      5.957 ppm2      6.762 CV     1
 ASSI {   13}
   (  segid "    " and resid 88   and name HD% )
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.41827E-02 ppm1      6.236 ppm2      2.505 CV     1
 ASSI {   15}
   (( segid "    " and resid 38   and name HH2 ))
   (( segid "    " and resid 28   and name HG13))
      3.100     3.100     2.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.22676E-02 ppm1      6.289 ppm2      0.373 CV     1
 OR {   15}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 28   and name HG2%)
 ASSI {   16}
   (( segid "    " and resid 38   and name HH2 ))
   (  segid "    " and resid 111  and name HD1%)
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.64622E-02 ppm1      6.290 ppm2      0.878 CV     1
 OR {   16}
   (( segid "    " and resid 38   and name HH2 ))
   (( segid "    " and resid 111  and name HG13))
 ASSI {   17}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 26   and name HA1 ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.14475E-02 ppm1      6.370 ppm2      2.075 CV     1
 ASSI {   18}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 28   and name HD1%)
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      6.372 ppm2      0.135 CV     1
 ASSI {   20}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.200     0.600     0.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.94227E-02 ppm1      6.375 ppm2      6.814 CV     1
 ASSI {   22}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 9    and name HB3 ))
      3.200     1.300     1.300 peak    22 spectrum    1 weight  0.10000E+01 volume  0.26083E-02 ppm1      6.377 ppm2      2.460 CV     1
 ASSI {   23}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB2 ))
      3.000     3.000     3.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.43473E-02 ppm1      6.377 ppm2      3.071 CV     1
 ASSI {   25}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB3 ))
      3.200     1.300     1.300 peak    25 spectrum    1 weight  0.10000E+01 volume  0.35013E-02 ppm1      6.389 ppm2      2.854 CV     1
 ASSI {   27}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 23   and name HE2 ))
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.27729E-02 ppm1      6.644 ppm2      2.306 CV     1
 ASSI {   32}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 23   and name HE3 ))
      3.100     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.12126E-02 ppm1      6.648 ppm2      2.018 CV     1
 ASSI {   34}
   (( segid "    " and resid 32   and name HD1 ))
   (  segid "    " and resid 41   and name HB% )
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.23475E-02 ppm1      6.654 ppm2      0.439 CV     1
 ASSI {   36}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.23170E-02 ppm1      6.655 ppm2      2.603 CV     1
 OR {   36}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {   37}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 105  and name HA  ))
      3.200     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.24908E-02 ppm1      6.718 ppm2      4.045 CV     1
 ASSI {   38}
   (  segid "    " and resid 108  and name HE% )
   (  segid "    " and resid 100  and name HD1%)
      2.800     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.21501E-02 ppm1      6.719 ppm2      0.488 CV     1
 ASSI {   40}
   (  segid "    " and resid 108  and name HE% )
   (  segid "    " and resid 59   and name HD2%)
      3.400     1.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.86708E-03 ppm1      6.720 ppm2      0.108 CV     1
 ASSI {   42}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 23   and name HE2 ))
      3.000     1.100     1.100 peak    42 spectrum    1 weight  0.10000E+01 volume  0.15650E-02 ppm1      6.721 ppm2      2.309 CV     1
 ASSI {   44}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 104  and name HB2 ))
      3.000     1.100     1.100 peak    44 spectrum    1 weight  0.10000E+01 volume  0.35248E-02 ppm1      6.723 ppm2      2.210 CV     1
 ASSI {   46}
   (  segid "    " and resid 108  and name HE% )
   (  segid "    " and resid 108  and name HD% )
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.12642E-01 ppm1      6.723 ppm2      7.071 CV     1
 ASSI {   48}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 73   and name HG2 ))
      3.000     1.100     1.100 peak    48 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      6.724 ppm2      2.611 CV     1
 ASSI {   49}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 23   and name HE3 ))
      3.900     1.900     1.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.63917E-03 ppm1      6.724 ppm2      2.005 CV     1
 ASSI {   50}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 59   and name HG  ))
      3.600     1.600     1.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.76607E-03 ppm1      6.725 ppm2      0.256 CV     1
 ASSI {   51}
   (  segid "    " and resid 71   and name HD% )
   (  segid "    " and resid 20   and name HG1%)
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.23381E-02 ppm1      6.725 ppm2      1.101 CV     1
 ASSI {   52}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 23   and name HB3 ))
      2.800     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.30548E-02 ppm1      6.728 ppm2      0.572 CV     1
 ASSI {   53}
   (( segid "    " and resid 32   and name HH2 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      6.752 ppm2      0.146 CV     1
 ASSI {   54}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 20   and name HB  ))
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.25379E-02 ppm1      6.753 ppm2      2.016 CV     1
 ASSI {   55}
   (( segid "    " and resid 32   and name HH2 ))
   (  segid "    " and resid 69   and name HG2%)
      3.600     1.600     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.96346E-03 ppm1      6.753 ppm2     -0.139 CV     1
 ASSI {   57}
   (( segid "    " and resid 32   and name HH2 ))
   (  segid "    " and resid 20   and name HG1%)
      2.400     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.49347E-02 ppm1      6.755 ppm2      1.081 CV     1
 ASSI {   58}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.12266E-02 ppm1      6.755 ppm2      3.262 CV     1
 ASSI {   60}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 21   and name HB3 ))
      3.900     1.900     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.17953E-02 ppm1      6.764 ppm2      2.887 CV     1
 ASSI {   65}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 28   and name HD1%)
      2.700     0.900     0.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.36893E-02 ppm1      6.813 ppm2      0.142 CV     1
 ASSI {   66}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.31018E-02 ppm1      6.814 ppm2      3.054 CV     1
 ASSI {   67}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 28   and name HG12))
      2.800     2.800     3.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.31253E-02 ppm1      6.814 ppm2      0.726 CV     1
 ASSI {   68}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.39008E-02 ppm1      6.815 ppm2      3.537 CV     1
 ASSI {   69}
   (( segid "    " and resid 38   and name HZ3 ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19951E-02 ppm1      6.828 ppm2      2.035 CV     1
 ASSI {   72}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 28   and name HD1%)
      3.300     1.300     1.300 peak    72 spectrum    1 weight  0.10000E+01 volume  0.15885E-02 ppm1      6.835 ppm2      0.154 CV     1
 ASSI {   73}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 13   and name HB% )
      3.300     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.12760E-02 ppm1      6.930 ppm2      0.852 CV     1
 ASSI {   74}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 93   and name HD% )
      2.300     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.75903E-02 ppm1      6.935 ppm2      7.147 CV     1
 ASSI {   75}
   (  segid "    " and resid 108  and name HD% )
   (  segid "    " and resid 59   and name HD2%)
      3.100     1.200     1.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      7.066 ppm2      0.108 CV     1
 ASSI {   84}
   (( segid "    " and resid 38   and name HZ2 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.800     2.900     1.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.59216E-03 ppm1      7.089 ppm2      3.226 CV     1
 ASSI {   85}
   (( segid "    " and resid 38   and name HZ2 ))
   (( segid "    " and resid 58   and name HG12))
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      7.089 ppm2      1.848 CV     1
 ASSI {   86}
   (( segid "    " and resid 38   and name HZ2 ))
   (( segid "    " and resid 32   and name HZ3 ))
      2.900     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.20491E-02 ppm1      7.094 ppm2      5.901 CV     1
 OR {   86}
   (( segid "    " and resid 38   and name HZ2 ))
   (( segid "    " and resid 32   and name HE3 ))
 ASSI {   87}
   (( segid "    " and resid 38   and name HZ2 ))
   (  segid "    " and resid 47   and name HE% )
      3.100     3.100     2.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.33133E-02 ppm1      7.095 ppm2      7.633 CV     1
 ASSI {   90}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 92   and name HB3 ))
      3.300     1.300     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.23969E-02 ppm1      7.146 ppm2      1.788 CV     1
 ASSI {   93}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 37   and name HB3 ))
      2.300     2.300     3.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.78016E-02 ppm1      7.181 ppm2      2.790 CV     1
 ASSI {   94}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      7.185 ppm2      3.157 CV     1
 OR {   94}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {   96}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 32   and name HB2 ))
      3.200     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      7.187 ppm2      2.593 CV     1
 OR {   96}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {   98}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.21031E-02 ppm1      7.188 ppm2      4.192 CV     1
 ASSI {   99}
   (( segid "    " and resid 38   and name HD1 ))
   (  segid "    " and resid 41   and name HB% )
      2.900     2.900     3.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      7.188 ppm2      0.444 CV     1
 ASSI {  100}
   (( segid "    " and resid 18   and name HZ3 ))
   (( segid "    " and resid 14   and name HA1 ))
      2.800     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.31723E-02 ppm1      7.221 ppm2      2.218 CV     1
 OR {  100}
   (( segid "    " and resid 18   and name HZ3 ))
   (( segid "    " and resid 14   and name HA2 ))
 ASSI {  101}
   (( segid "    " and resid 18   and name HZ3 ))
   (( segid "    " and resid 18   and name HE3 ))
      2.600     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.34308E-02 ppm1      7.221 ppm2      7.684 CV     1
 ASSI {  102}
   (( segid "    " and resid 18   and name HZ3 ))
   (( segid "    " and resid 18   and name HH2 ))
      2.600     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.43942E-02 ppm1      7.222 ppm2      7.534 CV     1
 ASSI {  105}
   (  segid "    " and resid 19   and name HD% )
   (  segid "    " and resid 19   and name HE% )
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.63683E-02 ppm1      7.227 ppm2      6.674 CV     1
 ASSI {  106}
   (  segid "    " and resid 19   and name HD% )
   (  segid "    " and resid 20   and name HG2%)
      2.700     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.33603E-02 ppm1      7.228 ppm2      1.004 CV     1
 ASSI {  108}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      2.300     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.70966E-02 ppm1      7.235 ppm2      3.996 CV     1
 ASSI {  110}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 66   and name HB2 ))
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.28668E-02 ppm1      7.265 ppm2      3.572 CV     1
 ASSI {  111}
   (( segid "    " and resid 38   and name HE3 ))
   (( segid "    " and resid 38   and name HZ3 ))
      2.100     0.500     0.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.10551E-01 ppm1      7.305 ppm2      6.833 CV     1
 ASSI {  115}
   (( segid "    " and resid 38   and name HE3 ))
   (  segid "    " and resid 111  and name HD1%)
      3.000     1.100     1.100 peak   115 spectrum    1 weight  0.10000E+01 volume  0.20538E-02 ppm1      7.313 ppm2      0.850 CV     1
 OR {  115}
   (( segid "    " and resid 38   and name HE3 ))
   (( segid "    " and resid 111  and name HG13))
 ASSI {  116}
   (( segid "    " and resid 38   and name HE3 ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     3.400     2.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.16285E-02 ppm1      7.333 ppm2      0.159 CV     1
 ASSI {  117}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HB3 ))
      3.000     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.34308E-02 ppm1      7.345 ppm2      3.028 CV     1
 ASSI {  118}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.200     1.300     1.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.77311E-03 ppm1      7.345 ppm2      3.455 CV     1
 ASSI {  119}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     2.800     3.200 peak   119 spectrum    1 weight  0.10000E+01 volume  0.10950E-02 ppm1      7.346 ppm2      1.477 CV     1
 ASSI {  120}
   (( segid "    " and resid 18   and name HD1 ))
   (  segid "    " and resid 13   and name HB% )
      4.000     2.000     2.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.53342E-03 ppm1      7.346 ppm2      0.851 CV     1
 ASSI {  125}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.900     1.000     1.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.13253E-02 ppm1      7.681 ppm2      3.038 CV     1
 ASSI {  127}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   127 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      7.682 ppm2      2.229 CV     1
 OR {  127}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 14   and name HA2 ))
 ASSI {  131}
   (  segid "    " and resid 47   and name HD% )
   (  segid "    " and resid 45   and name HB% )
      3.100     1.200     1.200 peak   131 spectrum    1 weight  0.10000E+01 volume  0.13864E-02 ppm1      7.704 ppm2      1.852 CV     1
 ASSI {  132}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.13770E-02 ppm1      7.704 ppm2      3.225 CV     1
 ASSI {  135}
   (  segid "    " and resid 47   and name HD% )
   (  segid "    " and resid 111  and name HG2%)
      3.200     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.25613E-02 ppm1      7.716 ppm2      0.738 CV     1
 ASSI {  136}
   (( segid "    " and resid 18   and name HZ2 ))
   (  segid "    " and resid 13   and name HB% )
      2.900     2.900     3.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.83186E-03 ppm1      7.725 ppm2      0.844 CV     1
 ASSI {  137}
   (( segid "    " and resid 18   and name HZ2 ))
   (( segid "    " and resid 18   and name HH2 ))
      2.700     0.900     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.37363E-02 ppm1      7.726 ppm2      7.538 CV     1
 ASSI {    1}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.300     2.300     1.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.46683E-03 ppm1      5.998 ppm2      3.509 CV     1
 OR {    1}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD3 ))
 ASSI {    9}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.21482E-02 ppm1      6.003 ppm2      0.825 CV     1
 OR {    9}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {   18}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      5.000     3.200     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.20520E-03 ppm1      6.008 ppm2      8.852 CV     1
 OR {   18}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI {   19}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      4.400     2.400     1.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.30139E-03 ppm1      6.036 ppm2      1.335 CV     1
 OR {   19}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {   25}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.13787E-02 ppm1      6.042 ppm2      3.190 CV     1
 OR {   25}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   33}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 21   and name HB3 ))
      4.900     3.000     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.80795E-04 ppm1      6.128 ppm2      2.929 CV     1
 OR {   33}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {   34}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.34627E-03 ppm1      6.135 ppm2      8.357 CV     1
 OR {   34}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {   35}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 21   and name HB2 ))
      4.000     2.000     2.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.58801E-03 ppm1      6.139 ppm2      3.036 CV     1
 OR {   35}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {   36}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 22   and name HB3 ))
      4.800     2.900     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.27189E-03 ppm1      6.140 ppm2      2.107 CV     1
 OR {   36}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 26   and name HA1 ))
 ASSI {   41}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 18   and name HB2 ))
      3.300     1.400     1.400 peak    41 spectrum    1 weight  0.10000E+01 volume  0.21418E-02 ppm1      6.154 ppm2      3.446 CV     1
 OR {   41}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {   45}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      3.500     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.11157E-02 ppm1      6.330 ppm2      2.125 CV     1
 OR {   45}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {   61}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.900     1.900     1.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      6.635 ppm2      0.944 CV     1
 OR {   61}
   (( segid "    " and resid 32   and name HD1 ))
   (  segid "    " and resid 17   and name HG2%)
 ASSI {   64}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 38   and name HD1 ))
      4.000     2.000     2.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.63546E-03 ppm1      6.636 ppm2      7.169 CV     1
 OR {   64}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {   70}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      3.800     1.800     1.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      6.638 ppm2      3.821 CV     1
 OR {   70}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 17   and name HB  ))
 ASSI {   83}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.600     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.45785E-02 ppm1      6.645 ppm2      2.132 CV     1
 OR {   83}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {   87}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 15   and name HG3 ))
      4.600     2.600     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.17378E-03 ppm1      6.756 ppm2      2.069 CV     1
 OR {   87}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 92   and name HG2 ))
 OR {   87}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {   97}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 12   and name HB  ))
      6.000     6.000     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.31036E-04 ppm1      6.827 ppm2      3.679 CV     1
 OR {   97}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  101}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 15   and name HG3 ))
      3.700     1.700     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.15069E-02 ppm1      6.836 ppm2      2.050 CV     1
 OR {  101}
   (( segid "    " and resid 109  and name HD22))
   (( segid "    " and resid 109  and name HB3 ))
 ASSI {  126}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16031E-02 ppm1      6.882 ppm2      1.119 CV     1
 OR {  126}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 OR {  126}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  131}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   131 spectrum    1 weight  0.10000E+01 volume  0.34371E-02 ppm1      6.906 ppm2      3.570 CV     1
 OR {  131}
   (( segid "    " and resid 37   and name HD22))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  136}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      5.500     3.800     0.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.34114E-04 ppm1      6.938 ppm2      0.960 CV     1
 OR {  136}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
 ASSI {  147}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.500     1.500 peak   147 spectrum    1 weight  0.10000E+01 volume  0.13017E-02 ppm1      6.985 ppm2      3.436 CV     1
 OR {  147}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  150}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 60   and name HG2 ))
      3.000     3.000     3.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.21482E-02 ppm1      6.987 ppm2      2.514 CV     1
 OR {  150}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI {  151}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 21   and name HB2 ))
      3.700     1.800     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.14877E-02 ppm1      6.987 ppm2      3.045 CV     1
 OR {  151}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  168}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      4.000     2.000     2.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.49055E-03 ppm1      7.020 ppm2      4.235 CV     1
 OR {  168}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  179}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.21418E-02 ppm1      7.068 ppm2      4.462 CV     1
 OR {  179}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  193}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      3.100     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.26291E-02 ppm1      7.145 ppm2      2.367 CV     1
 OR {  193}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  194}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      3.400     1.400     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.14813E-02 ppm1      7.145 ppm2      0.883 CV     1
 OR {  194}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI {  196}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.42066E-03 ppm1      7.145 ppm2      7.682 CV     1
 OR {  196}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
 ASSI {  199}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak   199 spectrum    1 weight  0.10000E+01 volume  0.32255E-03 ppm1      7.158 ppm2      8.336 CV     1
 OR {  199}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  205}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.22251E-02 ppm1      7.163 ppm2      4.417 CV     1
 OR {  205}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  208}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      2.300     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.89133E-02 ppm1      7.163 ppm2      2.230 CV     1
 OR {  208}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  208}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  209}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HE3 ))
      4.100     2.100     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.66691E-03 ppm1      7.164 ppm2      7.692 CV     1
 OR {  209}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  210}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.87849E-03 ppm1      7.164 ppm2      3.677 CV     1
 OR {  210}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
 ASSI {  218}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.600     1.600     1.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.12120E-02 ppm1      7.303 ppm2      3.455 CV     1
 OR {  218}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  219}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.91055E-03 ppm1      7.304 ppm2      4.411 CV     1
 OR {  219}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  222}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      7.305 ppm2      3.825 CV     1
 OR {  222}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
 ASSI {  228}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 88   and name HD% )
      4.800     2.900     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.27317E-03 ppm1      7.307 ppm2      6.173 CV     1
 OR {  228}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 9    and name HD22))
 ASSI {  231}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 76   and name HN  ))
      4.500     2.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.37064E-03 ppm1      7.308 ppm2      9.048 CV     1
 OR {  231}
   (( segid "    " and resid 76   and name HD22))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  242}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 60   and name HG2 ))
      2.800     2.800     3.200 peak   242 spectrum    1 weight  0.10000E+01 volume  0.35076E-02 ppm1      7.406 ppm2      2.508 CV     1
 OR {  242}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI {  257}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.700     2.700     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.58031E-03 ppm1      7.448 ppm2      1.657 CV     1
 OR {  257}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  284}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 15   and name HB3 ))
      4.200     2.200     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.31485E-03 ppm1      7.551 ppm2      2.223 CV     1
 OR {  284}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 15   and name HG2 ))
 OR {  284}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 14   and name HA2 ))
 OR {  284}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  286}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      2.800     1.000     1.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.30908E-02 ppm1      7.556 ppm2      3.887 CV     1
 OR {  286}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
 OR {  286}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI {  289}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      2.200     0.600     0.600 peak   289 spectrum    1 weight  0.10000E+01 volume  0.11735E-01 ppm1      7.557 ppm2      8.286 CV     1
 OR {  289}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  293}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      3.600     1.600     1.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.82078E-03 ppm1      7.558 ppm2      8.864 CV     1
 OR {  293}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  296}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB2 ))
      3.700     1.700     1.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      7.560 ppm2      3.533 CV     1
 OR {  296}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  299}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.900     2.900     3.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35076E-02 ppm1      7.565 ppm2      2.071 CV     1
 OR {  299}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
 OR {  299}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  302}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.22764E-02 ppm1      7.586 ppm2      3.579 CV     1
 OR {  302}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  307}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB3 ))
      2.900     2.900     3.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.15582E-02 ppm1      7.589 ppm2      2.477 CV     1
 OR {  307}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  310}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.26099E-02 ppm1      7.590 ppm2      4.401 CV     1
 OR {  310}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  313}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HE2 ))
      4.700     2.800     1.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.35397E-03 ppm1      7.591 ppm2      2.327 CV     1
 OR {  313}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  314}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.300     2.300     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.30395E-03 ppm1      7.592 ppm2      3.049 CV     1
 OR {  314}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  325}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 82   and name HB  ))
      4.700     2.700     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.43990E-03 ppm1      7.664 ppm2      4.122 CV     1
 OR {  325}
   (( segid "    " and resid 76   and name HD21))
   (( segid "    " and resid 101  and name HA  ))
 ASSI {  330}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD% )
      3.300     1.300     1.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.34371E-02 ppm1      7.676 ppm2      7.286 CV     1
 OR {  330}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  343}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      4.000     2.000     2.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.76951E-03 ppm1      7.678 ppm2      2.253 CV     1
 OR {  343}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  355}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.18083E-02 ppm1      7.679 ppm2      4.622 CV     1
 OR {  355}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  362}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      4.000     2.000     2.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.78873E-03 ppm1      7.680 ppm2      2.056 CV     1
 OR {  362}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  377}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      5.300     3.500     0.700 peak   377 spectrum    1 weight  0.10000E+01 volume  0.25842E-03 ppm1      7.698 ppm2      2.680 CV     1
 OR {  377}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  381}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.300     2.300     1.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.42514E-03 ppm1      7.705 ppm2      4.334 CV     1
 OR {  381}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI {  392}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 22   and name HB3 ))
      5.500     3.700     0.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.11927E-03 ppm1      7.710 ppm2      2.117 CV     1
 OR {  392}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  405}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HA  ))
      4.300     2.300     1.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.46298E-03 ppm1      7.748 ppm2      4.162 CV     1
 OR {  405}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 67   and name HA2 ))
 ASSI {  411}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.61176E-02 ppm1      7.751 ppm2      4.465 CV     1
 OR {  411}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  412}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.300     0.600     0.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.91055E-02 ppm1      7.751 ppm2      2.641 CV     1
 OR {  412}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  412}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  428}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.600     1.600     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.22059E-02 ppm1      7.815 ppm2      2.322 CV     1
 OR {  428}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HE2 ))
 ASSI {  443}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA2 ))
      3.200     1.300     1.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.19494E-02 ppm1      7.826 ppm2      4.645 CV     1
 OR {  443}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI {  448}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      3.100     1.200     1.200 peak   448 spectrum    1 weight  0.10000E+01 volume  0.23213E-02 ppm1      7.866 ppm2      3.559 CV     1
 OR {  448}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  466}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.43541E-02 ppm1      7.875 ppm2      7.718 CV     1
 OR {  466}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 47   and name HD% )
 ASSI {  470}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      7.876 ppm2      8.266 CV     1
 OR {  470}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  471}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.88494E-03 ppm1      7.876 ppm2      3.788 CV     1
 OR {  471}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
 ASSI {  478}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.400     1.400     1.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.18660E-02 ppm1      7.901 ppm2      0.837 CV     1
 OR {  478}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  487}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.300     3.300     2.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.73101E-03 ppm1      7.902 ppm2      0.933 CV     1
 OR {  487}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
 ASSI {  492}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
      3.100     1.200     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.13530E-02 ppm1      7.905 ppm2      2.362 CV     1
 OR {  492}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  500}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      4.100     2.100     1.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.47709E-03 ppm1      7.906 ppm2      0.757 CV     1
 OR {  500}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
 ASSI {  504}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.900     3.000     1.100 peak   504 spectrum    1 weight  0.10000E+01 volume  0.18660E-03 ppm1      7.909 ppm2      4.222 CV     1
 OR {  504}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  508}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.37321E-03 ppm1      7.931 ppm2      0.829 CV     1
 OR {  508}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  510}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.900     1.900     1.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.85927E-03 ppm1      7.933 ppm2      8.834 CV     1
 OR {  510}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  535}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.400     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.48927E-03 ppm1      7.981 ppm2      2.433 CV     1
 OR {  535}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI {  545}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.008 ppm2      7.694 CV     1
 OR {  545}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  565}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.20071E-02 ppm1      8.053 ppm2      3.752 CV     1
 OR {  565}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  566}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
      5.000     3.100     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18211E-03 ppm1      8.057 ppm2      0.746 CV     1
 OR {  566}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI {  567}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      8.058 ppm2      8.233 CV     1
 OR {  567}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  569}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.400     1.400     1.400 peak   569 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      8.058 ppm2      4.314 CV     1
 OR {  569}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI {  580}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      5.400     3.700     0.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.22956E-03 ppm1      8.156 ppm2      2.235 CV     1
 OR {  580}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
 ASSI {  585}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.62651E-03 ppm1      8.158 ppm2      7.190 CV     1
 OR {  585}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
 ASSI {  594}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.400     2.400     1.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.22187E-03 ppm1      8.178 ppm2      7.565 CV     1
 OR {  594}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HD21))
 ASSI {  602}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.10131E-01 ppm1      8.181 ppm2      7.954 CV     1
 OR {  602}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  614}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     1.100     1.100 peak   614 spectrum    1 weight  0.10000E+01 volume  0.43413E-02 ppm1      8.202 ppm2      2.009 CV     1
 OR {  614}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  614}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  615}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 38   and name HZ3 ))
      6.000     6.000     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.86566E-05 ppm1      8.217 ppm2      6.831 CV     1
 OR {  615}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 36   and name HD22))
 ASSI {  627}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
      4.300     2.300     1.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.43733E-03 ppm1      8.226 ppm2      1.345 CV     1
 OR {  627}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  631}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.100     2.100     1.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.47388E-03 ppm1      8.228 ppm2      1.092 CV     1
 OR {  631}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  632}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 58   and name HG13))
      3.000     1.200     1.200 peak   632 spectrum    1 weight  0.10000E+01 volume  0.33729E-02 ppm1      8.228 ppm2      0.994 CV     1
 OR {  632}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
 OR {  632}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  636}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      3.700     1.700     1.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      8.229 ppm2      2.495 CV     1
 OR {  636}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
 ASSI {  640}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.200     2.200     1.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.55017E-03 ppm1      8.238 ppm2      0.908 CV     1
 OR {  640}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
 ASSI {  648}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.900     0.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.49312E-02 ppm1      8.242 ppm2      7.161 CV     1
 OR {  648}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD1 ))
 ASSI {  692}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.900     1.900     1.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.23149E-03 ppm1      8.279 ppm2      0.819 CV     1
 OR {  692}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  703}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.400     2.500     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.37898E-03 ppm1      8.283 ppm2      6.856 CV     1
 OR {  703}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 21   and name HD% )
 ASSI {  704}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      3.600     1.600     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.82078E-03 ppm1      8.285 ppm2      8.855 CV     1
 OR {  704}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
 ASSI {  738}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   738 spectrum    1 weight  0.10000E+01 volume  0.14108E-01 ppm1      8.336 ppm2      3.527 CV     1
 OR {  738}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  741}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.700     0.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.98754E-02 ppm1      8.343 ppm2      4.631 CV     1
 OR {  741}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  742}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.100     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.26291E-02 ppm1      8.343 ppm2      9.322 CV     1
 OR {  742}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI {  755}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.400     2.400     1.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.34563E-03 ppm1      8.357 ppm2      0.802 CV     1
 OR {  755}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 95   and name HG1%)
 ASSI {  758}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.400     1.500     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.361 ppm2      4.226 CV     1
 OR {  758}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
 ASSI {  765}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     2.900     3.100 peak   765 spectrum    1 weight  0.10000E+01 volume  0.31934E-02 ppm1      8.368 ppm2      6.669 CV     1
 OR {  765}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HE% )
 OR {  765}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  783}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.000     2.000     2.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.34884E-03 ppm1      8.378 ppm2      9.570 CV     1
 OR {  783}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI {  786}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.400     0.700     0.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.16095E-01 ppm1      8.391 ppm2      3.714 CV     1
 OR {  786}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 OR {  786}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI {  791}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.000     0.500     0.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.17891E-01 ppm1      8.400 ppm2      4.332 CV     1
 OR {  791}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  795}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.49825E-02 ppm1      8.409 ppm2      4.173 CV     1
 OR {  795}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 67   and name HA2 ))
 ASSI {  803}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.30203E-02 ppm1      8.410 ppm2      2.936 CV     1
 OR {  803}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  805}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.76307E-03 ppm1      8.413 ppm2      3.543 CV     1
 OR {  805}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  808}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.500     0.800     0.800 peak   808 spectrum    1 weight  0.10000E+01 volume  0.78873E-02 ppm1      8.424 ppm2      1.014 CV     1
 OR {  808}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG13))
 OR {  808}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  815}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.74385E-03 ppm1      8.425 ppm2      9.323 CV     1
 OR {  815}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI {  834}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG3 ))
      2.900     1.100     1.100 peak   834 spectrum    1 weight  0.10000E+01 volume  0.37833E-02 ppm1      8.490 ppm2      2.056 CV     1
 OR {  834}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI {  842}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   842 spectrum    1 weight  0.10000E+01 volume  0.11799E-02 ppm1      8.493 ppm2      4.035 CV     1
 OR {  842}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HA1 ))
 ASSI {  853}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.700     1.700     1.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.17249E-02 ppm1      8.496 ppm2      1.121 CV     1
 OR {  853}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI {  862}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      4.100     2.100     1.900 peak   862 spectrum    1 weight  0.10000E+01 volume  0.34948E-03 ppm1      8.499 ppm2      3.874 CV     1
 OR {  862}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  866}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      4.200     2.200     1.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.33794E-03 ppm1      8.540 ppm2      3.112 CV     1
 OR {  866}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  871}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      5.500     3.800     0.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.92982E-04 ppm1      8.554 ppm2      3.097 CV     1
 OR {  871}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  885}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.30074E-02 ppm1      8.584 ppm2      4.461 CV     1
 OR {  885}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  897}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.000     1.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.24560E-02 ppm1      8.588 ppm2      5.005 CV     1
 OR {  897}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  916}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      2.600     2.600     3.400 peak   916 spectrum    1 weight  0.10000E+01 volume  0.23470E-02 ppm1      8.707 ppm2      0.923 CV     1
 OR {  916}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
 ASSI {  925}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.77590E-02 ppm1      8.709 ppm2      3.096 CV     1
 OR {  925}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
 ASSI {  929}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      2.900     2.900     3.100 peak   929 spectrum    1 weight  0.10000E+01 volume  0.93621E-03 ppm1      8.710 ppm2      1.139 CV     1
 OR {  929}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI {  934}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.40335E-02 ppm1      8.756 ppm2      2.938 CV     1
 OR {  934}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  937}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 66   and name HD% )
      4.600     2.600     1.400 peak   937 spectrum    1 weight  0.10000E+01 volume  0.23662E-03 ppm1      8.762 ppm2      7.255 CV     1
 OR {  937}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HD22))
 ASSI {  938}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 38   and name HD1 ))
      4.800     2.900     1.200 peak   938 spectrum    1 weight  0.10000E+01 volume  0.17698E-03 ppm1      8.782 ppm2      7.233 CV     1
 OR {  938}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD22))
 ASSI {  943}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.700     0.900     0.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.60663E-02 ppm1      8.785 ppm2      2.944 CV     1
 OR {  943}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  949}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      4.000     2.000     2.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.69896E-03 ppm1      8.799 ppm2      8.370 CV     1
 OR {  949}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  953}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.900     2.900     3.100 peak   953 spectrum    1 weight  0.10000E+01 volume  0.38282E-02 ppm1      8.801 ppm2      2.443 CV     1
 OR {  953}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  960}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HG1%)
      3.200     1.300     1.300 peak   960 spectrum    1 weight  0.10000E+01 volume  0.17827E-02 ppm1      8.804 ppm2      0.826 CV     1
 OR {  960}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
 ASSI {  965}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.200     1.300     1.300 peak   965 spectrum    1 weight  0.10000E+01 volume  0.27959E-02 ppm1      8.806 ppm2      4.128 CV     1
 OR {  965}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  981}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      4.300     2.400     1.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.52582E-03 ppm1      8.824 ppm2      0.508 CV     1
 OR {  981}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
 ASSI {  984}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      2.400     0.700     0.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.78234E-02 ppm1      8.825 ppm2      1.837 CV     1
 OR {  984}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
 ASSI {  991}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.30716E-02 ppm1      8.827 ppm2      2.196 CV     1
 OR {  991}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
 ASSI {  993}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      3.300     1.300     1.300 peak   993 spectrum    1 weight  0.10000E+01 volume  0.22379E-02 ppm1      8.834 ppm2      4.090 CV     1
 OR {  993}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI {  994}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      8.834 ppm2      8.248 CV     1
 OR {  994}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  995}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      8.838 ppm2      3.744 CV     1
 OR {  995}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 1000}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.700     1.700     1.700 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      8.846 ppm2      3.156 CV     1
 OR { 1000}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR { 1000}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1001}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HD1 ))
      3.300     1.400     1.400 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      8.847 ppm2      7.180 CV     1
 OR { 1001}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1002}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.300     1.300 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      8.847 ppm2      4.159 CV     1
 OR { 1002}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1023}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.77590E-02 ppm1      8.863 ppm2      4.302 CV     1
 OR { 1023}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1026}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.100     1.200     1.200 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.24367E-02 ppm1      8.863 ppm2      0.537 CV     1
 OR { 1026}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 72   and name HG1%)
 ASSI { 1031}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      4.600     2.600     1.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.34371E-03 ppm1      8.864 ppm2      0.818 CV     1
 OR { 1031}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI { 1043}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.49183E-02 ppm1      8.890 ppm2      1.341 CV     1
 OR { 1043}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HB% )
 ASSI { 1050}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.600     2.600     1.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.37962E-03 ppm1      8.891 ppm2      2.005 CV     1
 OR { 1050}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR { 1050}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1053}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.31742E-02 ppm1      8.893 ppm2      4.531 CV     1
 OR { 1053}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 1058}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.300     1.300     1.300 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.14877E-02 ppm1      8.900 ppm2      4.177 CV     1
 OR { 1058}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1061}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB3 ))
      4.100     2.100     1.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.59445E-03 ppm1      8.934 ppm2      3.718 CV     1
 OR { 1061}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
 OR { 1061}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
 ASSI { 1088}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      2.800     1.000     1.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.36615E-02 ppm1      9.003 ppm2      0.746 CV     1
 OR { 1088}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1096}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      3.500     1.500     1.500 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.30780E-02 ppm1      9.012 ppm2      1.131 CV     1
 OR { 1096}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 1102}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.600     2.600     1.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.11030E-03 ppm1      9.016 ppm2      3.836 CV     1
 OR { 1102}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 99   and name HB  ))
 ASSI { 1118}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      4.200     2.200     1.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.89133E-03 ppm1      9.076 ppm2      1.859 CV     1
 OR { 1118}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
 ASSI { 1121}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.700     2.800     1.300 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.23277E-03 ppm1      9.187 ppm2      5.587 CV     1
 OR { 1121}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 1122}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      4.300     2.300     1.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.59828E-03 ppm1      9.188 ppm2      2.112 CV     1
 OR { 1122}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI { 1123}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.28984E-02 ppm1      9.189 ppm2      8.803 CV     1
 OR { 1123}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1128}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.100     0.500     0.500 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.12889E-01 ppm1      9.190 ppm2      4.829 CV     1
 OR { 1128}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 1131}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 85   and name HG3 ))
      3.000     1.100     1.100 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.23662E-02 ppm1      9.192 ppm2      2.052 CV     1
 OR { 1131}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
 ASSI { 1140}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.62459E-03 ppm1      9.278 ppm2      8.810 CV     1
 OR { 1140}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1143}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      2.600     0.800     0.800 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.81439E-02 ppm1      9.283 ppm2      1.150 CV     1
 OR { 1143}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1146}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      3.000     1.100     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.32319E-02 ppm1      9.284 ppm2      1.816 CV     1
 OR { 1146}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
 ASSI { 1156}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.000     1.100     1.100 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.46939E-02 ppm1      9.303 ppm2      2.421 CV     1
 OR { 1156}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 1160}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      5.000     3.100     1.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.20648E-03 ppm1      9.306 ppm2      1.644 CV     1
 OR { 1160}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1174}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.100     2.100     1.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.47773E-03 ppm1      9.315 ppm2      5.612 CV     1
 OR { 1174}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1177}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      6.000     4.600     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.87211E-04 ppm1      9.317 ppm2      0.424 CV     1
 OR { 1177}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 1182}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.700     0.900     0.900 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.76951E-02 ppm1      9.328 ppm2      1.972 CV     1
 OR { 1182}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
 ASSI { 1184}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      2.500     2.500     3.500 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      9.329 ppm2      1.103 CV     1
 OR { 1184}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1187}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 112  and name HD2 ))
      3.800     1.800     1.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.90416E-03 ppm1      9.332 ppm2      6.840 CV     1
 OR { 1187}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 38   and name HZ3 ))
 ASSI { 1194}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
      2.900     1.100     1.100 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.19430E-02 ppm1      9.337 ppm2      1.925 CV     1
 OR { 1194}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
 ASSI { 1197}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      3.000     1.100     1.100 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.12312E-02 ppm1      9.338 ppm2      0.750 CV     1
 OR { 1197}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 111  and name HG2%)
 ASSI { 1199}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.800     1.800     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      9.339 ppm2      3.121 CV     1
 OR { 1199}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 1204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.700     1.700     1.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      9.486 ppm2      3.130 CV     1
 OR { 1204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR { 1204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1206}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      9.487 ppm2      5.316 CV     1
 OR { 1206}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
 ASSI { 1224}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
      2.400     0.700     0.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.62459E-02 ppm1      9.561 ppm2      1.828 CV     1
 OR { 1224}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
 ASSI { 1230}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.400     1.500     1.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      9.594 ppm2      8.814 CV     1
 OR { 1230}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1235}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HG3 ))
      2.800     1.000     1.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.22251E-02 ppm1      9.596 ppm2      2.512 CV     1
 OR { 1235}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI { 1236}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.27381E-02 ppm1      9.597 ppm2      9.301 CV     1
 OR { 1236}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1237}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.10901E-01 ppm1      9.597 ppm2      5.621 CV     1
 OR { 1237}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 1247}
   (( segid "    " and resid 38   and name HE1 ))
   (  segid "    " and resid 41   and name HB% )
      4.100     2.100     1.900 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.21289E-03 ppm1      9.651 ppm2      0.421 CV     1
 OR { 1247}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 28   and name HG13))
 ASSI { 1248}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 33   and name HA2 ))
      4.300     2.300     1.700 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.13466E-03 ppm1      9.655 ppm2      4.324 CV     1
 OR { 1248}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 1248}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 1260}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 17   and name HA  ))
      4.300     2.300     1.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.38732E-03 ppm1      9.658 ppm2      3.173 CV     1
 OR { 1260}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI { 1262}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.48991E-03 ppm1      9.660 ppm2      8.580 CV     1
 OR { 1262}
   (( segid "    " and resid 38   and name HE1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1273}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 32   and name HA  ))
      4.000     2.000     2.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.68613E-03 ppm1     10.088 ppm2      4.474 CV     1
 OR { 1273}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1274}
   (( segid "    " and resid 32   and name HE1 ))
   (  segid "    " and resid 111  and name HD1%)
      5.900     4.300     0.100 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.54826E-04 ppm1     10.093 ppm2      0.819 CV     1
 OR { 1274}
   (( segid "    " and resid 32   and name HE1 ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 1275}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 18   and name HB2 ))
      4.700     2.700     1.300 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.26548E-03 ppm1     10.677 ppm2      3.466 CV     1
 OR { 1275}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1280}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.600     1.600 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1     10.682 ppm2      7.188 CV     1
 OR { 1280}
   (( segid "    " and resid 18   and name HE1 ))
   (( segid "    " and resid 18   and name HZ3 ))
 ASSI {    3}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
      4.400     2.400     1.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.34901E-03 ppm1     -0.137 ppm2      3.574 CV     1
 OR {    3}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 OR {    3}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {   15}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 23   and name HG3 ))
      4.000     2.000     2.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.25605E-03 ppm1     -0.003 ppm2      6.682 CV     1
 OR {   15}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {   30}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 28   and name HD1%)
      2.500     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.65588E-02 ppm1      0.148 ppm2      6.810 CV     1
 OR {   30}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {   32}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      4.200     2.200     1.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.49343E-03 ppm1      0.153 ppm2      2.010 CV     1
 OR {   32}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {   34}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 59   and name HG  ))
      4.000     2.000     2.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.62880E-03 ppm1      0.257 ppm2      1.833 CV     1
 OR {   34}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI {   50}
   (  segid "    " and resid 113  and name HD1%)
   (  segid "    " and resid 28   and name HG2%)
      2.200     2.200     3.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.13840E-01 ppm1      0.392 ppm2      0.789 CV     1
 OR {   50}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 28   and name HG2%)
 ASSI {   76}
   (  segid "    " and resid 72   and name HG2%)
   (  segid "    " and resid 72   and name HG1%)
      1.900     1.900     4.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.26537E-01 ppm1      0.510 ppm2      0.839 CV     1
 OR {   76}
   (  segid "    " and resid 81   and name HG1%)
   (  segid "    " and resid 72   and name HG1%)
 ASSI {   77}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 72   and name HG1%)
      3.500     1.500     1.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.79430E-03 ppm1      0.510 ppm2      4.304 CV     1
 OR {   77}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 72   and name HG1%)
 ASSI {   81}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 75   and name HG1%)
      3.800     1.800     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.85747E-03 ppm1      0.543 ppm2      3.707 CV     1
 OR {   81}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI {   83}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
      2.500     0.800     0.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.86353E-02 ppm1      0.544 ppm2      4.291 CV     1
 OR {   83}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
 OR {   83}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI {   84}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 75   and name HG1%)
      2.700     2.700     3.300 peak    84 spectrum    1 weight  0.10000E+01 volume  0.75520E-02 ppm1      0.545 ppm2      1.225 CV     1
 OR {   84}
   (( segid "    " and resid 55   and name HG3 ))
   (  segid "    " and resid 75   and name HG1%)
 ASSI {  117}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 28   and name HG12))
      3.500     1.500     1.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10320E-02 ppm1      0.720 ppm2      6.813 CV     1
 OR {  117}
   (( segid "    " and resid 38   and name HZ3 ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  119}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 111  and name HG2%)
      2.600     2.600     3.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.70704E-02 ppm1      0.731 ppm2      1.343 CV     1
 OR {  119}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 111  and name HG2%)
 ASSI {  126}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 49   and name HG2%)
      3.200     1.300     1.300 peak   126 spectrum    1 weight  0.10000E+01 volume  0.19436E-02 ppm1      0.753 ppm2      3.069 CV     1
 OR {  126}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 49   and name HG2%)
 OR {  126}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI {  149}
   (( segid "    " and resid 79   and name HA1 ))
   (  segid "    " and resid 75   and name HG2%)
      5.000     3.100     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.94172E-04 ppm1      0.805 ppm2      3.496 CV     1
 OR {  149}
   (( segid "    " and resid 53   and name HD3 ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  156}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 72   and name HG2%)
      2.600     2.600     3.400 peak   156 spectrum    1 weight  0.10000E+01 volume  0.38211E-02 ppm1      0.815 ppm2      1.323 CV     1
 OR {  156}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI {  157}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HG2%)
      2.300     0.600     0.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.91764E-02 ppm1      0.837 ppm2      1.874 CV     1
 OR {  157}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  165}
   (( segid "    " and resid 29   and name HA2 ))
   (  segid "    " and resid 111  and name HD1%)
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.28192E-02 ppm1      0.850 ppm2      3.760 CV     1
 OR {  165}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI {  169}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 111  and name HG13))
      4.100     2.100     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.70704E-03 ppm1      0.854 ppm2      3.763 CV     1
 OR {  169}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 111  and name HG13))
 ASSI {  171}
   (( segid "    " and resid 81   and name HB  ))
   (  segid "    " and resid 81   and name HG1%)
      2.000     0.500     0.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.17270E-01 ppm1      0.868 ppm2      1.840 CV     1
 OR {  171}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 81   and name HG1%)
 ASSI {  181}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 113  and name HG2%)
      2.600     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.47237E-02 ppm1      0.894 ppm2      2.328 CV     1
 OR {  181}
   (( segid "    " and resid 43   and name HG3 ))
   (  segid "    " and resid 42   and name HB% )
 ASSI {  209}
   (  segid "    " and resid 45   and name HB% )
   (  segid "    " and resid 31   and name HG2%)
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      0.971 ppm2      1.847 CV     1
 OR {  209}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 24   and name HG1%)
 OR {  209}
   (( segid "    " and resid 100  and name HB  ))
   (  segid "    " and resid 99   and name HG2%)
 ASSI {  213}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HG1%)
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.19587E-02 ppm1      0.979 ppm2      3.593 CV     1
 OR {  213}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 31   and name HG2%)
 ASSI {  218}
   (  segid "    " and resid 71   and name HD% )
   (  segid "    " and resid 20   and name HG2%)
      3.600     1.600     1.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.19015E-02 ppm1      0.993 ppm2      6.750 CV     1
 OR {  218}
   (( segid "    " and resid 32   and name HH2 ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  241}
   (( segid "    " and resid 15   and name HG2 ))
   (  segid "    " and resid 12   and name HG2%)
      2.600     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.55061E-02 ppm1      1.085 ppm2      2.195 CV     1
 OR {  241}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 82   and name HG2%)
 ASSI {  242}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 20   and name HG1%)
      3.100     1.200     1.200 peak   242 spectrum    1 weight  0.10000E+01 volume  0.48742E-02 ppm1      1.087 ppm2      6.822 CV     1
 OR {  242}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  249}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
      3.600     1.700     1.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.78229E-03 ppm1      1.096 ppm2      5.034 CV     1
 OR {  249}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
 ASSI {  258}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 82   and name HG2%)
      3.300     1.300     1.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.97481E-03 ppm1      1.107 ppm2      3.705 CV     1
 OR {  258}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 82   and name HG2%)
 ASSI {  267}
   (( segid "    " and resid 112  and name HD2 ))
   (  segid "    " and resid 57   and name HB% )
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.39415E-03 ppm1      1.110 ppm2      6.870 CV     1
 OR {  267}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 57   and name HB% )
 ASSI {  276}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 100  and name HG13))
      2.700     2.700     3.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.54761E-02 ppm1      1.129 ppm2      0.826 CV     1
 OR {  276}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 100  and name HG13))
 ASSI {  288}
   (  segid "    " and resid 71   and name HD% )
   (  segid "    " and resid 82   and name HG2%)
      2.900     2.900     3.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.30388E-02 ppm1      1.146 ppm2      6.709 CV     1
 OR {  288}
   (  segid "    " and resid 19   and name HE% )
   (  segid "    " and resid 82   and name HG2%)
 ASSI {  299}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG12))
      3.400     1.500     1.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.13539E-02 ppm1      1.202 ppm2      5.632 CV     1
 OR {  299}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HG12))
 ASSI {  301}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 53   and name HB3 ))
      2.600     2.600     3.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.58670E-02 ppm1      1.221 ppm2      0.849 CV     1
 OR {  301}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 53   and name HB3 ))
 ASSI {  332}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 70   and name HB% )
      2.400     2.400     3.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.86954E-02 ppm1      1.328 ppm2      0.987 CV     1
 OR {  332}
   (( segid "    " and resid 83   and name HG13))
   (  segid "    " and resid 70   and name HB% )
 ASSI {  333}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 70   and name HB% )
      2.300     2.300     3.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.68296E-02 ppm1      1.328 ppm2      1.807 CV     1
 OR {  333}
   (( segid "    " and resid 85   and name HB3 ))
   (  segid "    " and resid 70   and name HB% )
 ASSI {  344}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 86   and name HB3 ))
      2.800     2.800     3.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.14502E-02 ppm1      1.349 ppm2      0.808 CV     1
 OR {  344}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 86   and name HB3 ))
 OR {  344}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  365}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 60   and name HB3 ))
      2.500     2.500     3.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.21422E-02 ppm1      1.433 ppm2      0.850 CV     1
 OR {  365}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 60   and name HB3 ))
 OR {  365}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  367}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      3.200     3.200     2.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      1.435 ppm2      2.515 CV     1
 OR {  367}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  388}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 53   and name HG3 ))
      3.600     1.700     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.14412E-02 ppm1      1.559 ppm2      0.538 CV     1
 OR {  388}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 53   and name HG3 ))
 ASSI {  400}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 111  and name HG12))
      3.800     1.800     1.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.87855E-03 ppm1      1.602 ppm2      3.758 CV     1
 OR {  400}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 111  and name HG12))
 ASSI {  408}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 27   and name HB3 ))
      3.500     1.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.93572E-03 ppm1      1.653 ppm2      0.784 CV     1
 OR {  408}
   (  segid "    " and resid 113  and name HD1%)
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  417}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      2.700     2.700     3.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.41821E-02 ppm1      1.664 ppm2      0.997 CV     1
 OR {  417}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  419}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      2.400     2.400     3.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.60778E-02 ppm1      1.665 ppm2      1.128 CV     1
 OR {  419}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  428}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      2.800     1.000     1.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.58069E-02 ppm1      1.748 ppm2      0.835 CV     1
 OR {  428}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  429}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.300     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.20580E-02 ppm1      1.749 ppm2      0.542 CV     1
 OR {  429}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  438}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HG3 ))
      3.600     1.600     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.10501E-02 ppm1      1.767 ppm2      4.030 CV     1
 OR {  438}
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {  460}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 100  and name HB  ))
      2.500     2.500     3.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.42423E-02 ppm1      1.830 ppm2      1.243 CV     1
 OR {  460}
   (( segid "    " and resid 113  and name HG13))
   (( segid "    " and resid 113  and name HB  ))
 ASSI {  462}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      2.600     0.800     0.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.42724E-02 ppm1      1.837 ppm2      4.281 CV     1
 OR {  462}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB  ))
 ASSI {  464}
   (( segid "    " and resid 100  and name HG12))
   (( segid "    " and resid 81   and name HB  ))
      3.800     3.800     2.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.70404E-03 ppm1      1.839 ppm2      1.242 CV     1
 OR {  464}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 81   and name HB  ))
 ASSI {  473}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.30388E-02 ppm1      1.853 ppm2      4.315 CV     1
 OR {  473}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI {  478}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 95   and name HB  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.46635E-04 ppm1      1.873 ppm2      3.963 CV     1
 OR {  478}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 95   and name HB  ))
 ASSI {  512}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.10561E-02 ppm1      2.021 ppm2      3.030 CV     1
 OR {  512}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 20   and name HB  ))
 ASSI {  514}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 20   and name HB  ))
      2.600     0.800     0.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      2.022 ppm2      6.754 CV     1
 OR {  514}
   (  segid "    " and resid 108  and name HE% )
   (( segid "    " and resid 104  and name HB3 ))
 ASSI {  515}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
      3.500     1.500     1.500 peak   515 spectrum    1 weight  0.10000E+01 volume  0.15585E-02 ppm1      2.025 ppm2      4.384 CV     1
 OR {  515}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  517}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB3 ))
      1.500     1.500     4.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.77022E-01 ppm1      2.031 ppm2      2.192 CV     1
 OR {  517}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  517}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HB2 ))
 OR {  517}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  552}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 72   and name HB  ))
      2.800     1.000     1.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.27530E-02 ppm1      2.193 ppm2      1.119 CV     1
 OR {  552}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  555}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 72   and name HB  ))
      4.100     2.100     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.54458E-03 ppm1      2.203 ppm2      3.500 CV     1
 OR {  555}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {  555}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  576}
   (  segid "    " and resid 71   and name HD% )
   (( segid "    " and resid 23   and name HE2 ))
      3.000     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.18474E-02 ppm1      2.306 ppm2      6.713 CV     1
 OR {  576}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 23   and name HE2 ))
 ASSI {  599}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.200     1.300     1.300 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      2.398 ppm2      4.382 CV     1
 OR {  599}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI {  608}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 71   and name HB3 ))
      3.500     1.500     1.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.29335E-02 ppm1      2.470 ppm2      1.120 CV     1
 OR {  608}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {  609}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.700     0.900     0.900 peak   609 spectrum    1 weight  0.10000E+01 volume  0.39715E-02 ppm1      2.471 ppm2      4.176 CV     1
 OR {  609}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  615}
   (( segid "    " and resid 65   and name HD2 ))
   (( segid "    " and resid 36   and name HB3 ))
      3.000     3.000     3.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.23438E-02 ppm1      2.495 ppm2      3.713 CV     1
 OR {  615}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  623}
   (( segid "    " and resid 112  and name HD2 ))
   (( segid "    " and resid 110  and name HB2 ))
      3.100     1.200     1.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.18834E-02 ppm1      2.536 ppm2      6.864 CV     1
 OR {  623}
   (( segid "    " and resid 38   and name HZ3 ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI {  659}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   659 spectrum    1 weight  0.10000E+01 volume  0.19376E-02 ppm1      2.913 ppm2      0.831 CV     1
 OR {  659}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  666}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.700     2.700     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.21844E-03 ppm1      2.918 ppm2      3.699 CV     1
 OR {  666}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  668}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.700     0.900     0.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.37008E-02 ppm1      2.936 ppm2      4.371 CV     1
 OR {  668}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  673}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.81838E-02 ppm1      3.029 ppm2      1.114 CV     1
 OR {  673}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  684}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.300     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13539E-02 ppm1      3.057 ppm2      4.384 CV     1
 OR {  684}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  686}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
      3.300     3.300     2.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14953E-02 ppm1      3.058 ppm2      7.225 CV     1
 OR {  686}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  703}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.300     3.300     2.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.14201E-02 ppm1      3.161 ppm2      2.530 CV     1
 OR {  703}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 38   and name HB3 ))
 OR {  703}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  714}
   (  segid "    " and resid 20   and name HG1%)
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.200     1.200 peak   714 spectrum    1 weight  0.10000E+01 volume  0.91764E-03 ppm1      3.220 ppm2      1.114 CV     1
 OR {  714}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  720}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     3.100     2.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.17872E-02 ppm1      3.259 ppm2      3.582 CV     1
 OR {  720}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  741}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.33698E-02 ppm1      3.486 ppm2      4.362 CV     1
 OR {  741}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HD3 ))
      2.600     0.900     0.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.45432E-02 ppm1      3.532 ppm2      1.771 CV     1
 OR {  753}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD3 ))
 OR {  753}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HD2 ))
 ASSI {  774}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 53   and name HD2 ))
      4.100     2.100     1.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.66795E-03 ppm1      3.660 ppm2      0.828 CV     1
 OR {  774}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  791}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 54   and name HB3 ))
      3.000     1.100     1.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.79430E-03 ppm1      3.707 ppm2      0.538 CV     1
 OR {  791}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  794}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 54   and name HB3 ))
      2.800     1.000     1.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      3.709 ppm2      1.112 CV     1
 OR {  794}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  801}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 17   and name HB  ))
      3.100     3.100     2.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.18143E-02 ppm1      3.752 ppm2      3.499 CV     1
 OR {  801}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HB  ))
 ASSI {  816}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      2.000     0.500     0.500 peak   816 spectrum    1 weight  0.10000E+01 volume  0.13991E-01 ppm1      3.878 ppm2      0.780 CV     1
 OR {  816}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  830}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 84   and name HB3 ))
      2.600     2.600     3.400 peak   830 spectrum    1 weight  0.10000E+01 volume  0.21422E-02 ppm1      3.988 ppm2      0.838 CV     1
 OR {  830}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 84   and name HB3 ))
 ASSI {  836}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.400     1.500     1.500 peak   836 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      4.006 ppm2      2.222 CV     1
 OR {  836}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
 OR {  836}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  855}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.300     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.17451E-02 ppm1      4.071 ppm2      2.274 CV     1
 OR {  855}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  859}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.49945E-02 ppm1      4.086 ppm2      7.228 CV     1
 OR {  859}
   (( segid "    " and resid 18   and name HZ3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  860}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 84   and name HB2 ))
      3.200     1.300     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.59571E-03 ppm1      4.106 ppm2      0.836 CV     1
 OR {  860}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  870}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      1.900     0.400     0.400 peak   870 spectrum    1 weight  0.10000E+01 volume  0.31893E-01 ppm1      4.134 ppm2      1.128 CV     1
 OR {  870}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HB  ))
 ASSI {  901}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.200     1.200 peak   901 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      4.208 ppm2      5.297 CV     1
 OR {  901}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  905}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.100     0.500     0.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.15977E-01 ppm1      4.228 ppm2      2.010 CV     1
 OR {  905}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 OR {  905}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI {  914}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.000     0.500     0.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.28192E-01 ppm1      4.257 ppm2      2.221 CV     1
 OR {  914}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HA  ))
 OR {  914}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HA  ))
 OR {  914}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  917}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.83039E-02 ppm1      4.272 ppm2      0.544 CV     1
 OR {  917}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 54   and name HA  ))
 OR {  917}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  919}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      4.276 ppm2      0.811 CV     1
 OR {  919}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
 OR {  919}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  920}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.62279E-03 ppm1      4.277 ppm2      1.101 CV     1
 OR {  920}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
 OR {  920}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  934}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HA  ))
      2.300     2.300     3.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.95679E-02 ppm1      4.319 ppm2      3.697 CV     1
 OR {  934}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  934}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI {  936}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak   936 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      4.319 ppm2      0.529 CV     1
 OR {  936}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  940}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   940 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      4.342 ppm2      0.857 CV     1
 OR {  940}
   (  segid "    " and resid 81   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  950}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.44529E-02 ppm1      4.380 ppm2      3.045 CV     1
 OR {  950}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
 OR {  950}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  952}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.36105E-02 ppm1      4.381 ppm2      3.469 CV     1
 OR {  952}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  961}
   (  segid "    " and resid 24   and name HG1%)
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.600     0.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.13329E-01 ppm1      4.389 ppm2      0.950 CV     1
 OR {  961}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 111  and name HA  ))
 ASSI {  981}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 108  and name HA  ))
      4.100     2.100     1.900 peak   981 spectrum    1 weight  0.10000E+01 volume  0.93271E-03 ppm1      4.585 ppm2      0.915 CV     1
 OR {  981}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1004}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      3.400     1.400     1.400 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.20730E-02 ppm1      4.688 ppm2      0.531 CV     1
 OR { 1004}
   (  segid "    " and resid 72   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1005}
   (( segid "    " and resid 81   and name HB  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      4.688 ppm2      1.844 CV     1
 OR { 1005}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1018}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.300     0.700     0.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.84546E-02 ppm1      4.792 ppm2      2.932 CV     1
 OR { 1018}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1030}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.600     3.600     2.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.16097E-02 ppm1      4.827 ppm2      4.114 CV     1
 OR { 1030}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 1034}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.200     1.200 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.21482E-02 ppm1      4.891 ppm2      1.009 CV     1
 OR { 1034}
   (( segid "    " and resid 58   and name HG13))
   (( segid "    " and resid 71   and name HA  ))
 OR { 1034}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1039}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.24972E-02 ppm1      5.000 ppm2      2.347 CV     1
 OR { 1039}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1049}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      5.024 ppm2      3.073 CV     1
 OR { 1049}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 109  and name HA  ))
 ASSI { 1051}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      3.800     3.800     2.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.80937E-03 ppm1      5.030 ppm2      4.708 CV     1
 OR { 1051}
   (( segid "    " and resid 106  and name HA2 ))
   (( segid "    " and resid 109  and name HA  ))
 ASSI { 1058}
   (  segid "    " and resid 70   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      3.400     1.400     1.400 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.23589E-02 ppm1      5.145 ppm2      1.334 CV     1
 OR { 1058}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI { 1065}
   (  segid "    " and resid 99   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      5.188 ppm2      0.968 CV     1
 OR { 1065}
   (( segid "    " and resid 83   and name HG13))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1073}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 99   and name HA  ))
      3.200     1.300     1.300 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      5.280 ppm2      1.117 CV     1
 OR { 1073}
   (( segid "    " and resid 100  and name HG13))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 1079}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 110  and name HA  ))
      4.000     2.000     2.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.94473E-03 ppm1      5.295 ppm2      1.115 CV     1
 OR { 1079}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 110  and name HA  ))
 ASSI { 1082}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.50246E-03 ppm1      5.317 ppm2      1.113 CV     1
 OR { 1082}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1087}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.400     1.400 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.15314E-02 ppm1      5.469 ppm2      1.145 CV     1
 OR { 1087}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1096}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 83   and name HA  ))
      3.100     1.200     1.200 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.16217E-02 ppm1      5.638 ppm2      1.129 CV     1
 OR { 1096}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1101}
   (( segid "    " and resid 112  and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     2.500     3.500 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      5.723 ppm2      6.870 CV     1
 OR { 1101}
   (( segid "    " and resid 38   and name HZ3 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {    2}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.95406E-03 ppm1      5.893 ppm2      3.240 CV     1
 OR {    2}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {    2}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {   21}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.39478E-02 ppm1      6.376 ppm2      3.413 CV     1
 OR {   21}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 26   and name HA2 ))
 ASSI {   26}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 23   and name HB2 ))
      3.100     1.200     1.200 peak    26 spectrum    1 weight  0.10000E+01 volume  0.18235E-02 ppm1      6.644 ppm2      1.117 CV     1
 OR {   26}
   (  segid "    " and resid 71   and name HE% )
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   31}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 56   and name HA2 ))
      3.600     1.600     1.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.52402E-03 ppm1      6.646 ppm2      4.122 CV     1
 OR {   31}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {   33}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 73   and name HG3 ))
      3.400     1.500     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.21313E-02 ppm1      6.650 ppm2      2.480 CV     1
 OR {   33}
   (  segid "    " and resid 71   and name HE% )
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {   35}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak    35 spectrum    1 weight  0.10000E+01 volume  0.23499E-02 ppm1      6.654 ppm2      4.450 CV     1
 OR {   35}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {   47}
   (  segid "    " and resid 71   and name HD% )
   (  segid "    " and resid 24   and name HG1%)
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.32898E-02 ppm1      6.724 ppm2      0.964 CV     1
 OR {   47}
   (  segid "    " and resid 71   and name HD% )
   (  segid "    " and resid 20   and name HG2%)
 ASSI {   59}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 17   and name HB  ))
      3.600     1.700     1.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.10457E-02 ppm1      6.755 ppm2      3.767 CV     1
 OR {   59}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 29   and name HA2 ))
 ASSI {   70}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 58   and name HD1%)
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.73314E-02 ppm1      6.832 ppm2      1.076 CV     1
 OR {   70}
   (( segid "    " and resid 38   and name HZ3 ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {   82}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 104  and name HB2 ))
      3.900     1.900     1.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.67909E-03 ppm1      7.073 ppm2      2.188 CV     1
 OR {   82}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {   92}
   (  segid "    " and resid 93   and name HD% )
   (  segid "    " and resid 86   and name HE% )
      3.100     1.200     1.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1      7.147 ppm2      2.217 CV     1
 OR {   92}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 86   and name HG2 ))
 OR {   92}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 14   and name HA2 ))
 ASSI {   97}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.11303E-02 ppm1      7.187 ppm2      3.572 CV     1
 OR {   97}
   (( segid "    " and resid 38   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  114}
   (( segid "    " and resid 38   and name HE3 ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.37598E-02 ppm1      7.309 ppm2      1.118 CV     1
 OR {  114}
   (( segid "    " and resid 38   and name HE3 ))
   (  segid "    " and resid 20   and name HG1%)
 ASSI {  121}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.63213E-03 ppm1      7.351 ppm2      4.365 CV     1
 OR {  121}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  129}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 113  and name HA  ))
      3.900     1.900     1.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.43473E-03 ppm1      7.697 ppm2      4.294 CV     1
 OR {  129}
   (  segid "    " and resid 47   and name HD% )
   (( segid "    " and resid 43   and name HA  ))
assign (resid  15 and name C   ) (resid  16 and name N   )
       (resid  16 and name CA  ) (resid  16 and name C   ) 1.0  -63.0   18.0 2
assign (resid  16 and name C   ) (resid  17 and name N   )
       (resid  17 and name CA  ) (resid  17 and name C   ) 1.0  -78.0   42.0 2
assign (resid  17 and name C   ) (resid  18 and name N   )
       (resid  18 and name CA  ) (resid  18 and name C   ) 1.0  -67.0   48.0 2
assign (resid  18 and name C   ) (resid  19 and name N   )
       (resid  19 and name CA  ) (resid  19 and name C   ) 1.0  -61.0   27.0 2
assign (resid  19 and name C   ) (resid  20 and name N   )
       (resid  20 and name CA  ) (resid  20 and name C   ) 1.0  -63.0   12.0 2
assign (resid  20 and name C   ) (resid  21 and name N   )
       (resid  21 and name CA  ) (resid  21 and name C   ) 1.0  -61.0   21.0 2
assign (resid  21 and name C   ) (resid  22 and name N   )
       (resid  22 and name CA  ) (resid  22 and name C   ) 1.0  -61.0    9.0 2
assign (resid  22 and name C   ) (resid  23 and name N   )
       (resid  23 and name CA  ) (resid  23 and name C   ) 1.0  -70.0   36.0 2
assign (resid  23 and name C   ) (resid  24 and name N   )
       (resid  24 and name CA  ) (resid  24 and name C   ) 1.0  -94.0   48.0 2
assign (resid  34 and name C   ) (resid  35 and name N   )
       (resid  35 and name CA  ) (resid  35 and name C   ) 1.0  -60.0    9.0 2
assign (resid  36 and name C   ) (resid  37 and name N   )
       (resid  37 and name CA  ) (resid  37 and name C   ) 1.0  -88.0   72.0 2
assign (resid  37 and name C   ) (resid  38 and name N   )
       (resid  38 and name CA  ) (resid  38 and name C   ) 1.0  -56.0   24.0 2
assign (resid  38 and name C   ) (resid  39 and name N   )
       (resid  39 and name CA  ) (resid  39 and name C   ) 1.0  -64.0   27.0 2
assign (resid  39 and name C   ) (resid  40 and name N   )
       (resid  40 and name CA  ) (resid  40 and name C   ) 1.0  -61.0   15.0 2
assign (resid  40 and name C   ) (resid  41 and name N   )
       (resid  41 and name CA  ) (resid  41 and name C   ) 1.0  -64.0   12.0 2
assign (resid  41 and name C   ) (resid  42 and name N   )
       (resid  42 and name CA  ) (resid  42 and name C   ) 1.0  -63.0   12.0 2
assign (resid  42 and name C   ) (resid  43 and name N   )
       (resid  43 and name CA  ) (resid  43 and name C   ) 1.0  -62.0    6.0 2
assign (resid  43 and name C   ) (resid  44 and name N   )
       (resid  44 and name CA  ) (resid  44 and name C   ) 1.0  -75.0   57.0 2
assign (resid  44 and name C   ) (resid  45 and name N   )
       (resid  45 and name CA  ) (resid  45 and name C   ) 1.0  -100.0   39.0 2
assign (resid  45 and name C   ) (resid  46 and name N   )
       (resid  46 and name CA  ) (resid  46 and name C   ) 1.0   86.0   39.0 2
assign (resid  46 and name C   ) (resid  47 and name N   )
       (resid  47 and name CA  ) (resid  47 and name C   ) 1.0  -82.0   54.0 2
assign (resid  57 and name C   ) (resid  58 and name N   )
       (resid  58 and name CA  ) (resid  58 and name C   ) 1.0  -117.0   42.0 2
assign (resid  58 and name C   ) (resid  59 and name N   )
       (resid  59 and name CA  ) (resid  59 and name C   ) 1.0  -108.0  105.0 2
assign (resid  59 and name C   ) (resid  60 and name N   )
       (resid  60 and name CA  ) (resid  60 and name C   ) 1.0  -111.0   57.0 2
assign (resid  68 and name C   ) (resid  69 and name N   )
       (resid  69 and name CA  ) (resid  69 and name C   ) 1.0  -139.0   21.0 2
assign (resid  69 and name C   ) (resid  70 and name N   )
       (resid  70 and name CA  ) (resid  70 and name C   ) 1.0  -144.0   48.0 2
assign (resid  70 and name C   ) (resid  71 and name N   )
       (resid  71 and name CA  ) (resid  71 and name C   ) 1.0  -120.0   48.0 2
assign (resid  71 and name C   ) (resid  72 and name N   )
       (resid  72 and name CA  ) (resid  72 and name C   ) 1.0  -80.0   30.0 2
assign (resid  72 and name C   ) (resid  73 and name N   )
       (resid  73 and name CA  ) (resid  73 and name C   ) 1.0  -88.0   39.0 2
assign (resid  76 and name C   ) (resid  77 and name N   )
       (resid  77 and name CA  ) (resid  77 and name C   ) 1.0  -61.0   30.0 2
assign (resid  77 and name C   ) (resid  78 and name N   )
       (resid  78 and name CA  ) (resid  78 and name C   ) 1.0  -91.0   30.0 2
assign (resid  80 and name C   ) (resid  81 and name N   )
       (resid  81 and name CA  ) (resid  81 and name C   ) 1.0  -126.0   54.0 2
assign (resid  81 and name C   ) (resid  82 and name N   )
       (resid  82 and name CA  ) (resid  82 and name C   ) 1.0  -105.0   48.0 2
assign (resid  82 and name C   ) (resid  83 and name N   )
       (resid  83 and name CA  ) (resid  83 and name C   ) 1.0  -115.0   30.0 2
assign (resid  83 and name C   ) (resid  84 and name N   )
       (resid  84 and name CA  ) (resid  84 and name C   ) 1.0  -130.0   42.0 2
assign (resid  84 and name C   ) (resid  85 and name N   )
       (resid  85 and name CA  ) (resid  85 and name C   ) 1.0  -134.0   48.0 2
assign (resid  97 and name C   ) (resid  98 and name N   )
       (resid  98 and name CA  ) (resid  98 and name C   ) 1.0  -136.0   57.0 2
assign (resid  98 and name C   ) (resid  99 and name N   )
       (resid  99 and name CA  ) (resid  99 and name C   ) 1.0  -116.0   63.0 2
assign (resid  99 and name C   ) (resid 100 and name N   )
       (resid 100 and name CA  ) (resid 100 and name C   ) 1.0  -110.0   45.0 2
assign (resid 101 and name C   ) (resid 102 and name N   )
       (resid 102 and name CA  ) (resid 102 and name C   ) 1.0  -56.0   12.0 2
assign (resid 102 and name C   ) (resid 103 and name N   )
       (resid 103 and name CA  ) (resid 103 and name C   ) 1.0  -64.0   15.0 2
assign (resid 103 and name C   ) (resid 104 and name N   )
       (resid 104 and name CA  ) (resid 104 and name C   ) 1.0  -75.0   39.0 2
assign (resid 104 and name C   ) (resid 105 and name N   )
       (resid 105 and name CA  ) (resid 105 and name C   ) 1.0  -59.0   12.0 2
assign (resid 109 and name C   ) (resid 110 and name N   )
       (resid 110 and name CA  ) (resid 110 and name C   ) 1.0  -114.0   39.0 2
assign (resid 110 and name C   ) (resid 111 and name N   )
       (resid 111 and name CA  ) (resid 111 and name C   ) 1.0  -109.0   48.0 2
assign (resid  16 and name N   ) (resid  16 and name CA  )
       (resid  16 and name C   ) (resid  17 and name N   ) 1.0  -26.0   33.0 2
assign (resid  17 and name N   ) (resid  17 and name CA  )
       (resid  17 and name C   ) (resid  18 and name N   ) 1.0  -17.0   57.0 2
assign (resid  18 and name N   ) (resid  18 and name CA  )
       (resid  18 and name C   ) (resid  19 and name N   ) 1.0  -46.0   12.0 2
assign (resid  19 and name N   ) (resid  19 and name CA  )
       (resid  19 and name C   ) (resid  20 and name N   ) 1.0  -41.0   21.0 2
assign (resid  20 and name N   ) (resid  20 and name CA  )
       (resid  20 and name C   ) (resid  21 and name N   ) 1.0  -47.0   12.0 2
assign (resid  21 and name N   ) (resid  21 and name CA  )
       (resid  21 and name C   ) (resid  22 and name N   ) 1.0  -44.0   15.0 2
assign (resid  22 and name N   ) (resid  22 and name CA  )
       (resid  22 and name C   ) (resid  23 and name N   ) 1.0  -44.0   15.0 2
assign (resid  23 and name N   ) (resid  23 and name CA  )
       (resid  23 and name C   ) (resid  24 and name N   ) 1.0  -30.0   42.0 2
assign (resid  24 and name N   ) (resid  24 and name CA  )
       (resid  24 and name C   ) (resid  25 and name N   ) 1.0    3.0   54.0 2
assign (resid  35 and name N   ) (resid  35 and name CA  )
       (resid  35 and name C   ) (resid  36 and name N   ) 1.0  -42.0   18.0 2
assign (resid  37 and name N   ) (resid  37 and name CA  )
       (resid  37 and name C   ) (resid  38 and name N   ) 1.0  -17.0   72.0 2
assign (resid  38 and name N   ) (resid  38 and name CA  )
       (resid  38 and name C   ) (resid  39 and name N   ) 1.0  -48.0   24.0 2
assign (resid  39 and name N   ) (resid  39 and name CA  )
       (resid  39 and name C   ) (resid  40 and name N   ) 1.0  -40.0   27.0 2
assign (resid  40 and name N   ) (resid  40 and name CA  )
       (resid  40 and name C   ) (resid  41 and name N   ) 1.0  -42.0   15.0 2
assign (resid  41 and name N   ) (resid  41 and name CA  )
       (resid  41 and name C   ) (resid  42 and name N   ) 1.0  -42.0   18.0 2
assign (resid  42 and name N   ) (resid  42 and name CA  )
       (resid  42 and name C   ) (resid  43 and name N   ) 1.0  -42.0   18.0 2
assign (resid  43 and name N   ) (resid  43 and name CA  )
       (resid  43 and name C   ) (resid  44 and name N   ) 1.0  -39.0   21.0 2
assign (resid  44 and name N   ) (resid  44 and name CA  )
       (resid  44 and name C   ) (resid  45 and name N   ) 1.0  -36.0   33.0 2
assign (resid  45 and name N   ) (resid  45 and name CA  )
       (resid  45 and name C   ) (resid  46 and name N   ) 1.0   -1.0   36.0 2
assign (resid  46 and name N   ) (resid  46 and name CA  )
       (resid  46 and name C   ) (resid  47 and name N   ) 1.0   16.0   30.0 2
assign (resid  47 and name N   ) (resid  47 and name CA  )
       (resid  47 and name C   ) (resid  48 and name N   ) 1.0  141.0   39.0 2
assign (resid  58 and name N   ) (resid  58 and name CA  )
       (resid  58 and name C   ) (resid  59 and name N   ) 1.0  142.0   45.0 2
assign (resid  59 and name N   ) (resid  59 and name CA  )
       (resid  59 and name C   ) (resid  60 and name N   ) 1.0  134.0   63.0 2
assign (resid  60 and name N   ) (resid  60 and name CA  )
       (resid  60 and name C   ) (resid  61 and name N   ) 1.0  128.0   30.0 2
assign (resid  69 and name N   ) (resid  69 and name CA  )
       (resid  69 and name C   ) (resid  70 and name N   ) 1.0  144.0   33.0 2
assign (resid  70 and name N   ) (resid  70 and name CA  )
       (resid  70 and name C   ) (resid  71 and name N   ) 1.0  141.0   36.0 2
assign (resid  71 and name N   ) (resid  71 and name CA  )
       (resid  71 and name C   ) (resid  72 and name N   ) 1.0  127.0   21.0 2
assign (resid  72 and name N   ) (resid  72 and name CA  )
       (resid  72 and name C   ) (resid  73 and name N   ) 1.0  123.0   24.0 2
assign (resid  73 and name N   ) (resid  73 and name CA  )
       (resid  73 and name C   ) (resid  74 and name N   ) 1.0  -37.0   18.0 2
assign (resid  77 and name N   ) (resid  77 and name CA  )
       (resid  77 and name C   ) (resid  78 and name N   ) 1.0  -31.0   33.0 2
assign (resid  78 and name N   ) (resid  78 and name CA  )
       (resid  78 and name C   ) (resid  79 and name N   ) 1.0    3.0   27.0 2
assign (resid  81 and name N   ) (resid  81 and name CA  )
       (resid  81 and name C   ) (resid  82 and name N   ) 1.0  138.0   54.0 2
assign (resid  82 and name N   ) (resid  82 and name CA  )
       (resid  82 and name C   ) (resid  83 and name N   ) 1.0  132.0   39.0 2
assign (resid  83 and name N   ) (resid  83 and name CA  )
       (resid  83 and name C   ) (resid  84 and name N   ) 1.0  145.0   33.0 2
assign (resid  84 and name N   ) (resid  84 and name CA  )
       (resid  84 and name C   ) (resid  85 and name N   ) 1.0  130.0   36.0 2
assign (resid  85 and name N   ) (resid  85 and name CA  )
       (resid  85 and name C   ) (resid  86 and name N   ) 1.0  141.0   48.0 2
assign (resid  98 and name N   ) (resid  98 and name CA  )
       (resid  98 and name C   ) (resid  99 and name N   ) 1.0  133.0   30.0 2
assign (resid  99 and name N   ) (resid  99 and name CA  )
       (resid  99 and name C   ) (resid 100 and name N   ) 1.0  133.0   45.0 2
assign (resid 100 and name N   ) (resid 100 and name CA  )
       (resid 100 and name C   ) (resid 101 and name N   ) 1.0  122.0   48.0 2
assign (resid 102 and name N   ) (resid 102 and name CA  )
       (resid 102 and name C   ) (resid 103 and name N   ) 1.0  -43.0   15.0 2
assign (resid 103 and name N   ) (resid 103 and name CA  )
       (resid 103 and name C   ) (resid 104 and name N   ) 1.0  -39.0   24.0 2
assign (resid 104 and name N   ) (resid 104 and name CA  )
       (resid 104 and name C   ) (resid 105 and name N   ) 1.0  -31.0   45.0 2
assign (resid 105 and name N   ) (resid 105 and name CA  )
       (resid 105 and name C   ) (resid 106 and name N   ) 1.0  -40.0   33.0 2
assign (resid 110 and name N   ) (resid 110 and name CA  )
       (resid 110 and name C   ) (resid 111 and name N   ) 1.0  132.0   33.0 2
assign (resid 111 and name N   ) (resid 111 and name CA  )
       (resid 111 and name C   ) (resid 112 and name N   ) 1.0  130.0   18.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1 -29.887  13.188  10.025
    2    H2   GLY   1           H2       GLY   1 -30.167  12.128   8.734
    3    H3   GLY   1           H3       GLY   1 -28.730  13.021   8.802
    4    HA2  GLY   1           HA2      GLY   1 -27.994  11.831  10.731
    5    HA3  GLY   1           HA1      GLY   1 -29.528  10.970  10.788
    6    H    SER   2           H        SER   2 -26.431  10.542  10.070
    7    HA   SER   2           HA       SER   2 -27.060   8.488   8.057
    8    HB2  SER   2           HB2      SER   2 -24.491  10.087   8.157
    9    HB3  SER   2           HB3      SER   2 -24.960   8.904   6.935
   10    HG   SER   2           HG       SER   2 -26.030  11.479   7.424
   11    H    SER   3           H        SER   3 -26.373   6.505   8.569
   12    HA   SER   3           HA       SER   3 -25.402   5.894  11.117
   13    HB2  SER   3           HB2      SER   3 -24.996   3.597  10.049
   14    HB3  SER   3           HB3      SER   3 -26.642   4.225   9.986
   15    HG   SER   3           HG       SER   3 -26.027   3.422   7.956
   16    H    ILE   4           H        ILE   4 -23.739   5.627   7.979
   17    HA   ILE   4           HA       ILE   4 -21.552   5.385   7.425
   18    HB   ILE   4           HB       ILE   4 -21.104   7.467   9.574
   19   HG12  ILE   4          2HG1      ILE   4 -21.864   7.792   6.660
   20   HG13  ILE   4          3HG1      ILE   4 -22.904   8.135   8.036
   21   HG21  ILE   4          2HG2      ILE   4 -19.033   6.519   8.760
   22   HG22  ILE   4          1HG2      ILE   4 -19.223   8.149   8.112
   23   HG23  ILE   4          3HG2      ILE   4 -19.549   6.749   7.089
   24   HD11  ILE   4          3HD1      ILE   4 -22.012  10.176   7.119
   25   HD12  ILE   4          2HD1      ILE   4 -20.365   9.579   7.316
   26   HD13  ILE   4          1HD1      ILE   4 -21.361   9.907   8.736
   27    H    SER   5           H        SER   5 -21.663   3.225   8.334
   28    HA   SER   5           HA       SER   5 -19.597   2.865  10.354
   29    HB2  SER   5           HB2      SER   5 -22.273   1.459  10.506
   30    HB3  SER   5           HB3      SER   5 -20.919   1.258  11.618
   31    HG   SER   5           HG       SER   5 -21.433   3.840  11.511
   32    H    HIS   6           H        HIS   6 -21.966   0.892   8.503
   33    HA   HIS   6           HA       HIS   6 -19.794  -0.750   7.525
   34    HB2  HIS   6           HB2      HIS   6 -22.027  -1.756   7.962
   35    HB3  HIS   6           HB3      HIS   6 -22.697  -0.774   6.662
   36    HD1  HIS   6           HD1      HIS   6 -19.835  -3.268   7.048
   37    HD2  HIS   6           HD2      HIS   6 -22.757  -2.115   4.314
   38    HE1  HIS   6           HE1      HIS   6 -19.555  -4.795   5.064
   39    HE2  HIS   6           HE2      HIS   6 -21.196  -3.943   3.348
   40    H    SER   7           H        SER   7 -18.854   1.375   6.829
   41    HA   SER   7           HA       SER   7 -19.258   1.561   3.960
   42    HB2  SER   7           HB2      SER   7 -19.001   4.094   4.140
   43    HB3  SER   7           HB3      SER   7 -20.553   3.439   4.657
   44    HG   SER   7           HG       SER   7 -19.448   5.039   6.073
   45    H    GLY   8           H        GLY   8 -17.419   3.294   6.442
   46    HA2  GLY   8           HA1      GLY   8 -15.187   3.432   6.905
   47    HA3  GLY   8           HA2      GLY   8 -15.070   1.799   6.276
   48    H    ASN   9           H        ASN   9 -14.398   1.462   4.187
   49    HA   ASN   9           HA       ASN   9 -12.680   3.549   3.182
   50    HB2  ASN   9           HB2      ASN   9 -12.115   1.052   3.357
   51    HB3  ASN   9           HB3      ASN   9 -13.135   0.841   1.939
   52   HD21  ASN   9          1HD2      ASN   9 -10.333   0.315   2.224
   53   HD22  ASN   9          2HD2      ASN   9  -9.528   1.307   1.046
   54    H    LEU  10           H        LEU  10 -12.957   4.705   1.380
   55    HA   LEU  10           HA       LEU  10 -15.562   4.887   0.200
   56    HB2  LEU  10           HB2      LEU  10 -12.952   6.221  -0.493
   57    HB3  LEU  10           HB3      LEU  10 -14.512   6.676  -1.156
   58    HG   LEU  10           HG       LEU  10 -13.699   6.892   1.747
   59   HD11  LEU  10          2HD1      LEU  10 -12.595   8.546   0.354
   60   HD12  LEU  10          1HD1      LEU  10 -13.833   9.308   1.353
   61   HD13  LEU  10          3HD1      LEU  10 -14.142   9.005  -0.356
   62   HD21  LEU  10          3HD2      LEU  10 -16.248   7.721   0.365
   63   HD22  LEU  10          2HD2      LEU  10 -15.830   8.049   2.046
   64   HD23  LEU  10          1HD2      LEU  10 -16.073   6.388   1.505
   65    H    TYR  11           H        TYR  11 -12.903   2.962  -0.359
   66    HA   TYR  11           HA       TYR  11 -12.951   2.902  -3.218
   67    HB2  TYR  11           HB2      TYR  11 -11.443   1.618  -1.050
   68    HB3  TYR  11           HB3      TYR  11 -11.635   0.625  -2.487
   69    HD1  TYR  11           HD2      TYR  11 -10.677   1.324  -4.609
   70    HD2  TYR  11           HD1      TYR  11 -10.090   3.600  -1.066
   71    HE1  TYR  11           HE2      TYR  11  -8.813   2.494  -5.690
   72    HE2  TYR  11           HE1      TYR  11  -8.221   4.788  -2.131
   73    HH   TYR  11           HH       TYR  11  -7.612   4.708  -5.415
   74    H    THR  12           H        THR  12 -12.812   0.365  -3.936
   75    HA   THR  12           HA       THR  12 -15.540  -0.417  -4.126
   76    HB   THR  12           HB       THR  12 -13.258  -2.160  -4.988
   77    HG1  THR  12           HG1      THR  12 -14.022   0.318  -6.198
   78   HG21  THR  12          3HG2      THR  12 -14.657  -2.474  -6.968
   79   HG22  THR  12          1HG2      THR  12 -15.824  -1.307  -6.342
   80   HG23  THR  12          2HG2      THR  12 -15.567  -2.836  -5.502
   81    H    ALA  13           H        ALA  13 -14.475  -3.374  -4.164
   82    HA   ALA  13           HA       ALA  13 -14.599  -3.808  -1.279
   83    HB1  ALA  13           HB1      ALA  13 -16.776  -4.310  -2.284
   84    HB2  ALA  13           HB2      ALA  13 -15.998  -5.462  -3.370
   85    HB3  ALA  13           HB3      ALA  13 -16.011  -5.759  -1.630
   86    H    GLY  14           H        GLY  14 -12.469  -3.731  -3.382
   87    HA2  GLY  14           HA1      GLY  14 -10.762  -5.694  -2.458
   88    HA3  GLY  14           HA2      GLY  14 -11.567  -6.374  -3.869
   89    H    GLN  15           H        GLN  15  -9.697  -3.616  -2.745
   90    HA   GLN  15           HA       GLN  15  -8.490  -3.439  -5.428
   91    HB2  GLN  15           HB2      GLN  15  -9.290  -1.118  -3.655
   92    HB3  GLN  15           HB3      GLN  15  -8.376  -0.976  -5.149
   93    HG2  GLN  15           HG2      GLN  15 -11.093  -2.233  -5.077
   94    HG3  GLN  15           HG3      GLN  15 -10.870  -0.490  -5.224
   95   HE21  GLN  15          1HE2      GLN  15 -10.270  -3.590  -6.746
   96   HE22  GLN  15          2HE2      GLN  15 -10.067  -2.951  -8.336
   97    H    CYS  16           H        CYS  16  -6.299  -2.616  -5.430
   98    HA   CYS  16           HA       CYS  16  -4.690  -3.577  -3.334
   99    HB2  CYS  16           HB2      CYS  16  -4.250  -2.645  -5.895
  100    HB3  CYS  16           HB3      CYS  16  -3.488  -1.412  -4.896
  101    HG   CYS  16           HG       CYS  16  -1.541  -2.921  -3.876
  102    H    THR  17           H        THR  17  -5.836  -0.347  -4.150
  103    HA   THR  17           HA       THR  17  -4.567   0.835  -1.826
  104    HB   THR  17           HB       THR  17  -5.945   2.877  -2.796
  105    HG1  THR  17           HG1      THR  17  -6.551   2.598  -4.898
  106   HG21  THR  17          3HG2      THR  17  -3.607   1.689  -4.292
  107   HG22  THR  17          1HG2      THR  17  -3.491   2.659  -2.825
  108   HG23  THR  17          2HG2      THR  17  -4.115   3.377  -4.310
  109    H    TRP  18           H        TRP  18  -7.242  -0.970  -2.241
  110    HA   TRP  18           HA       TRP  18  -8.975   0.450  -0.377
  111    HB2  TRP  18           HB2      TRP  18 -10.026  -0.727  -2.222
  112    HB3  TRP  18           HB3      TRP  18  -9.213  -2.218  -1.778
  113    HD1  TRP  18           HD1      TRP  18 -12.010   0.130  -0.507
  114    HE1  TRP  18           HE1      TRP  18 -13.626  -1.281   0.913
  115    HE3  TRP  18           HE3      TRP  18  -9.454  -4.308  -0.460
  116    HZ2  TRP  18           HZ2      TRP  18 -13.806  -3.887   1.932
  117    HZ3  TRP  18           HZ3      TRP  18 -10.428  -6.202   0.762
  118    HH2  TRP  18           HH2      TRP  18 -12.558  -6.001   1.935
  119    H    TYR  19           H        TYR  19  -7.412  -2.734  -0.610
  120    HA   TYR  19           HA       TYR  19  -7.838  -3.575   2.012
  121    HB2  TYR  19           HB2      TYR  19  -7.138  -5.092   0.249
  122    HB3  TYR  19           HB3      TYR  19  -5.608  -4.244   0.080
  123    HD1  TYR  19           HD1      TYR  19  -7.581  -6.007   2.739
  124    HD2  TYR  19           HD2      TYR  19  -3.763  -5.194   1.045
  125    HE1  TYR  19           HE1      TYR  19  -6.546  -7.573   4.331
  126    HE2  TYR  19           HE2      TYR  19  -2.722  -6.753   2.630
  127    HH   TYR  19           HH       TYR  19  -3.095  -7.821   4.677
  128    H    VAL  20           H        VAL  20  -5.067  -1.894   0.590
  129    HA   VAL  20           HA       VAL  20  -3.413  -1.648   2.779
  130    HB   VAL  20           HB       VAL  20  -3.942   0.249   0.501
  131   HG11  VAL  20          2HG1      VAL  20  -1.786   0.490   2.594
  132   HG12  VAL  20          1HG1      VAL  20  -3.152   1.585   2.381
  133   HG13  VAL  20          3HG1      VAL  20  -1.918   1.462   1.128
  134   HG21  VAL  20          3HG2      VAL  20  -2.904  -1.871  -0.076
  135   HG22  VAL  20          2HG2      VAL  20  -1.649  -1.604   1.134
  136   HG23  VAL  20          1HG2      VAL  20  -1.757  -0.545  -0.273
  137    H    TYR  21           H        TYR  21  -6.067   0.527   1.849
  138    HA   TYR  21           HA       TYR  21  -5.621   2.442   3.860
  139    HB2  TYR  21           HB2      TYR  21  -6.937   2.805   1.772
  140    HB3  TYR  21           HB3      TYR  21  -8.218   1.807   2.446
  141    HD1  TYR  21           HD2      TYR  21  -6.272   4.915   3.099
  142    HD2  TYR  21           HD1      TYR  21  -9.891   2.761   3.725
  143    HE1  TYR  21           HE2      TYR  21  -7.268   6.898   4.148
  144    HE2  TYR  21           HE1      TYR  21 -10.898   4.739   4.768
  145    HH   TYR  21           HH       TYR  21  -9.446   7.843   4.615
  146    H    ASP  22           H        ASP  22  -7.725  -0.403   3.738
  147    HA   ASP  22           HA       ASP  22  -8.924   0.102   6.271
  148    HB2  ASP  22           HB2      ASP  22  -8.822  -2.304   4.479
  149    HB3  ASP  22           HB3      ASP  22  -9.543  -2.392   6.084
  150    H    LYS  23           H        LYS  23  -5.987  -1.484   5.292
  151    HA   LYS  23           HA       LYS  23  -5.640  -2.881   7.789
  152    HB2  LYS  23           HB2      LYS  23  -3.819  -2.453   5.425
  153    HB3  LYS  23           HB3      LYS  23  -3.341  -3.358   6.854
  154    HG2  LYS  23           HG2      LYS  23  -5.739  -4.048   5.180
  155    HG3  LYS  23           HG3      LYS  23  -4.136  -4.738   4.928
  156    HD2  LYS  23           HD2      LYS  23  -5.629  -4.890   7.543
  157    HD3  LYS  23           HD3      LYS  23  -5.700  -6.145   6.303
  158    HE2  LYS  23           HE2      LYS  23  -3.240  -6.372   6.454
  159    HE3  LYS  23           HE3      LYS  23  -3.236  -5.192   7.764
  160    HZ1  LYS  23           HZ1      LYS  23  -4.512  -6.664   9.122
  161    HZ2  LYS  23           HZ2      LYS  23  -3.197  -7.540   8.510
  162    HZ3  LYS  23           HZ3      LYS  23  -4.736  -7.754   7.840
  163    H    VAL  24           H        VAL  24  -5.008   0.293   6.680
  164    HA   VAL  24           HA       VAL  24  -3.057   0.723   8.830
  165    HB   VAL  24           HB       VAL  24  -2.665   2.938   7.877
  166   HG11  VAL  24          2HG1      VAL  24  -1.343   1.073   7.063
  167   HG12  VAL  24          1HG1      VAL  24  -1.635   2.232   5.767
  168   HG13  VAL  24          3HG1      VAL  24  -2.556   0.730   5.830
  169   HG21  VAL  24          3HG2      VAL  24  -4.903   3.392   7.021
  170   HG22  VAL  24          2HG2      VAL  24  -4.688   2.155   5.782
  171   HG23  VAL  24          1HG2      VAL  24  -3.688   3.608   5.761
  172    H    GLY  25           H        GLY  25  -6.246   0.577   8.634
  173    HA2  GLY  25           HA1      GLY  25  -7.840   1.183  10.185
  174    HA3  GLY  25           HA2      GLY  25  -6.607   2.098  11.034
  175    H    GLY  26           H        GLY  26  -6.690   2.992   7.810
  176    HA2  GLY  26           HA1      GLY  26  -7.715   4.721   6.662
  177    HA3  GLY  26           HA2      GLY  26  -8.841   4.900   7.999
  178    H    GLU  27           H        GLU  27  -5.526   4.890   8.865
  179    HA   GLU  27           HA       GLU  27  -5.538   7.504   9.881
  180    HB2  GLU  27           HB2      GLU  27  -3.977   5.802  10.688
  181    HB3  GLU  27           HB3      GLU  27  -3.193   5.752   9.117
  182    HG2  GLU  27           HG2      GLU  27  -1.835   7.016  10.629
  183    HG3  GLU  27           HG3      GLU  27  -2.508   8.103   9.418
  184    H    ILE  28           H        ILE  28  -3.881   6.228   7.005
  185    HA   ILE  28           HA       ILE  28  -4.020   8.940   5.865
  186    HB   ILE  28           HB       ILE  28  -1.933   8.809   4.990
  187   HG12  ILE  28          2HG1      ILE  28  -2.509   6.852   3.536
  188   HG13  ILE  28          3HG1      ILE  28  -0.830   6.890   4.066
  189   HG21  ILE  28          2HG2      ILE  28  -1.691   6.760   7.179
  190   HG22  ILE  28          1HG2      ILE  28  -1.559   8.513   7.342
  191   HG23  ILE  28          3HG2      ILE  28  -0.341   7.618   6.435
  192   HD11  ILE  28          3HD1      ILE  28  -1.474   5.223   5.835
  193   HD12  ILE  28          2HD1      ILE  28  -1.561   4.648   4.167
  194   HD13  ILE  28          1HD1      ILE  28  -3.042   5.092   5.025
  195    H    GLY  29           H        GLY  29  -4.633   9.087   3.620
  196    HA2  GLY  29           HA1      GLY  29  -4.561   7.449   1.620
  197    HA3  GLY  29           HA2      GLY  29  -5.755   6.590   2.571
  198    H    SER  30           H        SER  30  -7.318   6.696   1.141
  199    HA   SER  30           HA       SER  30  -9.074   7.371  -0.040
  200    HB2  SER  30           HB2      SER  30 -10.416   9.241   0.779
  201    HB3  SER  30           HB3      SER  30  -9.862   8.227   2.105
  202    HG   SER  30           HG       SER  30  -9.702  10.698   2.173
  203    H    THR  31           H        THR  31  -7.219  10.379   0.459
  204    HA   THR  31           HA       THR  31  -7.977  11.191  -2.240
  205    HB   THR  31           HB       THR  31  -8.253  12.800  -0.391
  206    HG1  THR  31           HG1      THR  31  -6.406  13.419  -2.459
  207   HG21  THR  31          3HG2      THR  31  -5.239  12.696  -0.218
  208   HG22  THR  31          1HG2      THR  31  -6.374  12.149   1.013
  209   HG23  THR  31          2HG2      THR  31  -6.269  13.864   0.608
  210    H    TRP  32           H        TRP  32  -5.686   9.204  -1.304
  211    HA   TRP  32           HA       TRP  32  -3.355  10.451  -2.427
  212    HB2  TRP  32           HB2      TRP  32  -2.282   8.243  -2.187
  213    HB3  TRP  32           HB3      TRP  32  -3.035   8.801  -0.698
  214    HD1  TRP  32           HD1      TRP  32  -5.100   7.183  -3.463
  215    HE1  TRP  32           HE1      TRP  32  -6.015   4.963  -2.617
  216    HE3  TRP  32           HE3      TRP  32  -2.553   6.942   0.939
  217    HZ2  TRP  32           HZ2      TRP  32  -5.703   3.285  -0.337
  218    HZ3  TRP  32           HZ3      TRP  32  -2.919   4.992   2.408
  219    HH2  TRP  32           HH2      TRP  32  -4.459   3.207   1.779
  220    H    GLY  33           H        GLY  33  -6.074   9.271  -3.857
  221    HA2  GLY  33           HA1      GLY  33  -6.463   9.176  -6.166
  222    HA3  GLY  33           HA2      GLY  33  -4.720   9.171  -6.411
  223    H    ASN  34           H        ASN  34  -3.772   7.391  -6.945
  224    HA   ASN  34           HA       ASN  34  -4.692   4.868  -5.868
  225    HB2  ASN  34           HB2      ASN  34  -4.665   5.494  -8.789
  226    HB3  ASN  34           HB3      ASN  34  -4.115   3.902  -8.277
  227   HD21  ASN  34          1HD2      ASN  34  -6.809   5.965  -8.746
  228   HD22  ASN  34          2HD2      ASN  34  -8.040   4.817  -8.310
  229    H    ALA  35           H        ALA  35  -2.936   3.194  -7.090
  230    HA   ALA  35           HA       ALA  35  -0.780   3.583  -5.381
  231    HB1  ALA  35           HB1      ALA  35  -0.955   1.749  -7.758
  232    HB2  ALA  35           HB2      ALA  35   0.179   1.610  -6.414
  233    HB3  ALA  35           HB3      ALA  35  -1.551   1.403  -6.134
  234    H    ASN  36           H        ASN  36  -1.033   4.365  -8.824
  235    HA   ASN  36           HA       ASN  36   1.807   4.802  -9.056
  236    HB2  ASN  36           HB2      ASN  36   1.296   5.520 -11.380
  237    HB3  ASN  36           HB3      ASN  36   0.673   3.922 -10.989
  238   HD21  ASN  36          1HD2      ASN  36  -0.776   4.084 -12.720
  239   HD22  ASN  36          2HD2      ASN  36  -2.213   5.040 -12.613
  240    H    ASN  37           H        ASN  37  -0.693   6.648  -7.860
  241    HA   ASN  37           HA       ASN  37   0.760   9.148  -8.451
  242    HB2  ASN  37           HB2      ASN  37  -1.536   8.966  -9.463
  243    HB3  ASN  37           HB3      ASN  37  -2.192   8.858  -7.837
  244   HD21  ASN  37          1HD2      ASN  37  -2.491  10.693  -6.674
  245   HD22  ASN  37          2HD2      ASN  37  -2.138  12.281  -7.263
  246    H    TRP  38           H        TRP  38   0.643   6.965  -6.239
  247    HA   TRP  38           HA       TRP  38  -0.481   7.919  -3.910
  248    HB2  TRP  38           HB2      TRP  38   1.355   5.839  -4.653
  249    HB3  TRP  38           HB3      TRP  38   1.868   6.594  -3.139
  250    HD1  TRP  38           HD1      TRP  38  -1.719   5.744  -4.367
  251    HE1  TRP  38           HE1      TRP  38  -2.831   4.361  -2.544
  252    HE3  TRP  38           HE3      TRP  38   2.229   5.355  -1.151
  253    HZ2  TRP  38           HZ2      TRP  38  -2.121   3.262   0.022
  254    HZ3  TRP  38           HZ3      TRP  38   1.943   4.131   0.946
  255    HH2  TRP  38           HH2      TRP  38  -0.184   3.100   1.511
  256    H    ALA  39           H        ALA  39   3.015   8.075  -4.635
  257    HA   ALA  39           HA       ALA  39   3.727   9.542  -2.405
  258    HB1  ALA  39           HB1      ALA  39   5.044   9.630  -5.116
  259    HB2  ALA  39           HB2      ALA  39   5.776  10.117  -3.587
  260    HB3  ALA  39           HB3      ALA  39   5.342   8.430  -3.857
  261    H    ALA  40           H        ALA  40   2.559  10.703  -5.513
  262    HA   ALA  40           HA       ALA  40   3.121  13.448  -5.038
  263    HB1  ALA  40           HB1      ALA  40   1.737  13.861  -6.999
  264    HB2  ALA  40           HB2      ALA  40   2.863  12.533  -7.283
  265    HB3  ALA  40           HB3      ALA  40   1.165  12.194  -6.953
  266    H    ALA  41           H        ALA  41   0.138  11.512  -4.788
  267    HA   ALA  41           HA       ALA  41  -1.434  13.731  -3.898
  268    HB1  ALA  41           HB1      ALA  41  -2.414  11.812  -5.087
  269    HB2  ALA  41           HB2      ALA  41  -2.051  10.781  -3.702
  270    HB3  ALA  41           HB3      ALA  41  -3.198  12.113  -3.538
  271    H    ALA  42           H        ALA  42   0.281  11.099  -2.342
  272    HA   ALA  42           HA       ALA  42  -0.597  11.386   0.293
  273    HB1  ALA  42           HB1      ALA  42   1.678  10.474   0.874
  274    HB2  ALA  42           HB2      ALA  42   0.777   9.527  -0.312
  275    HB3  ALA  42           HB3      ALA  42   2.086  10.587  -0.836
  276    H    GLN  43           H        GLN  43   2.186  12.924  -1.346
  277    HA   GLN  43           HA       GLN  43   2.929  14.581   0.812
  278    HB2  GLN  43           HB2      GLN  43   3.417  14.857  -2.156
  279    HB3  GLN  43           HB3      GLN  43   4.147  15.906  -0.947
  280    HG2  GLN  43           HG2      GLN  43   5.259  13.993   0.058
  281    HG3  GLN  43           HG3      GLN  43   4.498  12.921  -1.118
  282   HE21  GLN  43          1HE2      GLN  43   7.324  13.469  -0.551
  283   HE22  GLN  43          2HE2      GLN  43   8.013  13.943  -2.071
  284    H    GLY  44           H        GLY  44   0.713  15.031  -1.885
  285    HA2  GLY  44           HA1      GLY  44   0.149  17.764  -1.482
  286    HA3  GLY  44           HA2      GLY  44  -0.917  16.604  -2.264
  287    H    ALA  45           H        ALA  45  -1.325  14.843  -0.136
  288    HA   ALA  45           HA       ALA  45  -3.313  16.197   1.379
  289    HB1  ALA  45           HB1      ALA  45  -3.490  13.822   0.773
  290    HB2  ALA  45           HB2      ALA  45  -2.129  13.459   1.834
  291    HB3  ALA  45           HB3      ALA  45  -3.636  14.072   2.513
  292    H    GLY  46           H        GLY  46   0.001  15.219   2.003
  293    HA2  GLY  46           HA1      GLY  46   1.145  16.882   3.484
  294    HA3  GLY  46           HA2      GLY  46  -0.180  16.606   4.603
  295    H    PHE  47           H        PHE  47   1.042  13.872   2.851
  296    HA   PHE  47           HA       PHE  47   2.062  12.769   5.345
  297    HB2  PHE  47           HB2      PHE  47   2.063  11.435   2.628
  298    HB3  PHE  47           HB3      PHE  47   2.267  10.662   4.190
  299    HD1  PHE  47           HD2      PHE  47  -0.158  12.530   5.290
  300    HD2  PHE  47           HD1      PHE  47   0.397   9.728   2.137
  301    HE1  PHE  47           HE2      PHE  47  -2.576  12.041   5.287
  302    HE2  PHE  47           HE1      PHE  47  -2.002   9.213   2.130
  303    HZ   PHE  47           HZ       PHE  47  -3.496  10.392   3.702
  304    H    THR  48           H        THR  48   4.174  11.886   5.527
  305    HA   THR  48           HA       THR  48   6.189  13.200   3.849
  306    HB   THR  48           HB       THR  48   6.724  11.519   6.299
  307    HG1  THR  48           HG1      THR  48   5.444  13.078   7.173
  308   HG21  THR  48          3HG2      THR  48   8.737  12.905   6.438
  309   HG22  THR  48          1HG2      THR  48   8.224  13.807   5.011
  310   HG23  THR  48          2HG2      THR  48   8.631  12.098   4.873
  311    H    VAL  49           H        VAL  49   6.715  12.012   2.085
  312    HA   VAL  49           HA       VAL  49   6.600   9.102   2.371
  313    HB   VAL  49           HB       VAL  49   6.009   8.860   0.215
  314   HG11  VAL  49          2HG1      VAL  49   4.360  10.367   1.156
  315   HG12  VAL  49          1HG1      VAL  49   4.542  10.623  -0.578
  316   HG13  VAL  49          3HG1      VAL  49   5.271  11.755   0.561
  317   HG21  VAL  49          3HG2      VAL  49   7.653  11.274  -0.517
  318   HG22  VAL  49          2HG2      VAL  49   6.692  10.334  -1.662
  319   HG23  VAL  49          1HG2      VAL  49   8.039   9.577  -0.813
  320    H    ASN  50           H        ASN  50   8.346   7.959   2.482
  321    HA   ASN  50           HA       ASN  50  10.836   8.992   1.325
  322    HB2  ASN  50           HB2      ASN  50  10.662   7.082   3.677
  323    HB3  ASN  50           HB3      ASN  50  12.098   7.886   3.062
  324   HD21  ASN  50          1HD2      ASN  50  10.998   7.824   5.737
  325   HD22  ASN  50          2HD2      ASN  50  10.729   9.475   6.190
  326    H    HIS  51           H        HIS  51  11.964   6.287   1.931
  327    HA   HIS  51           HA       HIS  51  10.122   4.504   0.633
  328    HB2  HIS  51           HB2      HIS  51  11.828   3.780  -1.096
  329    HB3  HIS  51           HB3      HIS  51  11.083   5.348  -1.357
  330    HD1  HIS  51           HD1      HIS  51  14.343   3.816  -0.233
  331    HD2  HIS  51           HD2      HIS  51  12.836   7.443  -1.583
  332    HE1  HIS  51           HE1      HIS  51  16.355   5.257  -0.688
  333    HE2  HIS  51           HE2      HIS  51  15.417   7.350  -1.724
  334    H    THR  52           H        THR  52  10.295   3.770   2.800
  335    HA   THR  52           HA       THR  52  12.264   1.653   3.046
  336    HB   THR  52           HB       THR  52  11.818   3.571   5.348
  337    HG1  THR  52           HG1      THR  52  13.339   4.796   4.556
  338   HG21  THR  52          3HG2      THR  52  12.483   1.308   5.989
  339   HG22  THR  52          1HG2      THR  52  13.792   2.449   6.296
  340   HG23  THR  52          2HG2      THR  52  13.860   1.387   4.890
  341    HA   PRO  53           HA       PRO  53   7.937   0.318   4.035
  342    HB2  PRO  53           HB2      PRO  53   8.642  -2.357   3.769
  343    HB3  PRO  53           HB3      PRO  53   7.982  -1.343   2.481
  344    HG2  PRO  53           HG2      PRO  53  10.833  -2.034   3.074
  345    HG3  PRO  53           HG3      PRO  53  10.007  -1.939   1.507
  346    HD2  PRO  53           HD2      PRO  53  11.600   0.031   2.306
  347    HD3  PRO  53           HD3      PRO  53  10.062   0.385   1.481
  348    H    SER  54           H        SER  54   7.103  -0.542   5.916
  349    HA   SER  54           HA       SER  54   8.791  -1.773   7.881
  350    HB2  SER  54           HB2      SER  54   9.436   0.598   8.145
  351    HB3  SER  54           HB3      SER  54   7.743   1.033   8.372
  352    HG   SER  54           HG       SER  54   9.536   0.062  10.168
  353    H    LYS  55           H        LYS  55   7.541  -2.200   9.892
  354    HA   LYS  55           HA       LYS  55   5.131  -3.468   9.218
  355    HB2  LYS  55           HB2      LYS  55   6.693  -4.132  11.051
  356    HB3  LYS  55           HB3      LYS  55   6.133  -2.750  11.978
  357    HG2  LYS  55           HG2      LYS  55   3.939  -3.663  12.156
  358    HG3  LYS  55           HG3      LYS  55   4.335  -4.958  11.023
  359    HD2  LYS  55           HD2      LYS  55   6.084  -5.721  12.653
  360    HD3  LYS  55           HD3      LYS  55   5.434  -4.543  13.798
  361    HE2  LYS  55           HE2      LYS  55   3.273  -5.644  13.742
  362    HE3  LYS  55           HE3      LYS  55   3.860  -6.780  12.525
  363    HZ1  LYS  55           HZ1      LYS  55   5.517  -7.546  14.167
  364    HZ2  LYS  55           HZ2      LYS  55   3.921  -7.822  14.657
  365    HZ3  LYS  55           HZ3      LYS  55   4.800  -6.541  15.333
  366    H    GLY  56           H        GLY  56   3.274  -2.491   8.749
  367    HA2  GLY  56           HA1      GLY  56   1.307  -1.399   9.577
  368    HA3  GLY  56           HA2      GLY  56   2.337  -0.364  10.556
  369    H    ALA  57           H        ALA  57   3.993  -0.394   7.827
  370    HA   ALA  57           HA       ALA  57   2.645   2.009   6.821
  371    HB1  ALA  57           HB1      ALA  57   5.409   1.007   6.154
  372    HB2  ALA  57           HB2      ALA  57   4.714   2.580   5.754
  373    HB3  ALA  57           HB3      ALA  57   5.046   2.163   7.437
  374    H    ILE  58           H        ILE  58   3.678   2.043   4.222
  375    HA   ILE  58           HA       ILE  58   2.496  -0.348   3.003
  376    HB   ILE  58           HB       ILE  58   1.858   2.429   2.020
  377   HG12  ILE  58          2HG1      ILE  58  -0.522   1.655   2.898
  378   HG13  ILE  58          3HG1      ILE  58   0.452   0.734   4.037
  379   HG21  ILE  58          2HG2      ILE  58   1.727   0.728   0.326
  380   HG22  ILE  58          1HG2      ILE  58   0.100   1.248   0.761
  381   HG23  ILE  58          3HG2      ILE  58   0.726  -0.285   1.369
  382   HD11  ILE  58          3HD1      ILE  58   1.524   2.786   4.789
  383   HD12  ILE  58          2HD1      ILE  58  -0.228   2.872   4.968
  384   HD13  ILE  58          1HD1      ILE  58   0.566   3.715   3.635
  385    H    LEU  59           H        LEU  59   3.303  -0.919   1.042
  386    HA   LEU  59           HA       LEU  59   5.812   0.298   0.192
  387    HB2  LEU  59           HB2      LEU  59   5.321  -2.204   0.482
  388    HB3  LEU  59           HB3      LEU  59   4.361  -2.076  -0.975
  389    HG   LEU  59           HG       LEU  59   6.567  -1.117  -1.984
  390   HD11  LEU  59          2HD1      LEU  59   7.565  -2.709   0.370
  391   HD12  LEU  59          1HD1      LEU  59   7.811  -0.986   0.079
  392   HD13  LEU  59          3HD1      LEU  59   8.554  -2.176  -0.990
  393   HD21  LEU  59          3HD2      LEU  59   5.437  -3.151  -2.705
  394   HD22  LEU  59          2HD2      LEU  59   6.169  -4.041  -1.371
  395   HD23  LEU  59          1HD2      LEU  59   7.183  -3.383  -2.657
  396    H    GLN  60           H        GLN  60   6.080   1.207  -1.951
  397    HA   GLN  60           HA       GLN  60   3.754   1.345  -3.675
  398    HB2  GLN  60           HB2      GLN  60   3.369   3.089  -1.956
  399    HB3  GLN  60           HB3      GLN  60   4.867   3.867  -2.437
  400    HG2  GLN  60           HG2      GLN  60   2.824   3.372  -4.524
  401    HG3  GLN  60           HG3      GLN  60   2.499   4.626  -3.334
  402   HE21  GLN  60          1HE2      GLN  60   2.893   4.898  -6.165
  403   HE22  GLN  60          2HE2      GLN  60   4.246   5.963  -6.377
  404    H    SER  61           H        SER  61   4.177   1.821  -5.739
  405    HA   SER  61           HA       SER  61   6.591   3.211  -6.504
  406    HB2  SER  61           HB2      SER  61   7.208   0.751  -6.432
  407    HB3  SER  61           HB3      SER  61   6.015   0.494  -7.706
  408    HG   SER  61           HG       SER  61   8.262   2.234  -7.867
  409    H    SER  62           H        SER  62   6.492   3.839  -8.800
  410    HA   SER  62           HA       SER  62   3.738   4.413  -9.509
  411    HB2  SER  62           HB2      SER  62   4.990   5.839 -11.301
  412    HB3  SER  62           HB3      SER  62   5.025   6.349  -9.611
  413    HG   SER  62           HG       SER  62   7.054   5.245 -11.201
  414    H    GLU  63           H        GLU  63   5.998   2.069 -10.271
  415    HA   GLU  63           HA       GLU  63   5.376   1.784 -13.056
  416    HB2  GLU  63           HB2      GLU  63   6.600  -0.378 -12.863
  417    HB3  GLU  63           HB3      GLU  63   7.526   1.010 -12.313
  418    HG2  GLU  63           HG2      GLU  63   7.190   0.429 -10.033
  419    HG3  GLU  63           HG3      GLU  63   6.018  -0.814 -10.463
  420    H    GLY  64           H        GLY  64   3.815   0.622 -13.991
  421    HA2  GLY  64           HA1      GLY  64   2.506  -1.526 -13.792
  422    HA3  GLY  64           HA2      GLY  64   2.033  -0.918 -12.211
  423    HA   PRO  65           HA       PRO  65  -0.860   0.498 -15.742
  424    HB2  PRO  65           HB2      PRO  65  -3.059  -0.925 -14.954
  425    HB3  PRO  65           HB3      PRO  65  -1.897  -1.500 -16.152
  426    HG2  PRO  65           HG2      PRO  65  -2.120  -2.177 -13.249
  427    HG3  PRO  65           HG3      PRO  65  -1.766  -3.240 -14.624
  428    HD2  PRO  65           HD2      PRO  65   0.163  -2.329 -12.962
  429    HD3  PRO  65           HD3      PRO  65   0.458  -2.623 -14.687
  430    H    PHE  66           H        PHE  66  -1.497  -0.216 -12.336
  431    HA   PHE  66           HA       PHE  66  -2.760   2.435 -12.103
  432    HB2  PHE  66           HB2      PHE  66  -3.397  -0.126 -10.631
  433    HB3  PHE  66           HB3      PHE  66  -3.962   1.453 -10.096
  434    HD1  PHE  66           HD1      PHE  66  -4.191  -1.059 -12.792
  435    HD2  PHE  66           HD2      PHE  66  -5.789   2.529 -11.148
  436    HE1  PHE  66           HE1      PHE  66  -6.144  -1.246 -14.283
  437    HE2  PHE  66           HE2      PHE  66  -7.739   2.346 -12.630
  438    HZ   PHE  66           HZ       PHE  66  -7.921   0.458 -14.201
  439    H    GLY  67           H        GLY  67   0.027   1.059 -11.676
  440    HA2  GLY  67           HA1      GLY  67   1.807   1.910 -10.365
  441    HA3  GLY  67           HA2      GLY  67   0.633   2.469  -9.179
  442    H    HIS  68           H        HIS  68   2.223   1.386  -7.669
  443    HA   HIS  68           HA       HIS  68   1.288  -1.354  -7.226
  444    HB2  HIS  68           HB2      HIS  68   3.554  -1.326  -8.474
  445    HB3  HIS  68           HB3      HIS  68   4.234  -0.716  -6.960
  446    HD1  HIS  68           HD1      HIS  68   4.559  -3.629  -8.510
  447    HD2  HIS  68           HD2      HIS  68   2.645  -2.779  -4.913
  448    HE1  HIS  68           HE1      HIS  68   4.499  -5.798  -7.237
  449    HE2  HIS  68           HE2      HIS  68   3.095  -5.314  -5.194
  450    H    VAL  69           H        VAL  69   0.117  -0.512  -5.349
  451    HA   VAL  69           HA       VAL  69   1.997   0.031  -3.157
  452    HB   VAL  69           HB       VAL  69   0.105   0.919  -1.884
  453   HG11  VAL  69          2HG1      VAL  69  -0.221   2.962  -3.188
  454   HG12  VAL  69          1HG1      VAL  69   0.428   2.146  -4.611
  455   HG13  VAL  69          3HG1      VAL  69   1.459   2.425  -3.208
  456   HG21  VAL  69          3HG2      VAL  69  -2.051   1.314  -2.961
  457   HG22  VAL  69          2HG2      VAL  69  -1.680  -0.409  -2.899
  458   HG23  VAL  69          1HG2      VAL  69  -1.486   0.480  -4.409
  459    H    ALA  70           H        ALA  70   2.028  -1.233  -1.407
  460    HA   ALA  70           HA       ALA  70   0.048  -3.345  -1.084
  461    HB1  ALA  70           HB1      ALA  70   1.786  -4.354  -2.496
  462    HB2  ALA  70           HB2      ALA  70   3.005  -3.929  -1.295
  463    HB3  ALA  70           HB3      ALA  70   1.741  -5.091  -0.895
  464    H    TYR  71           H        TYR  71  -0.447  -3.516   1.021
  465    HA   TYR  71           HA       TYR  71   0.806  -1.718   2.838
  466    HB2  TYR  71           HB2      TYR  71  -1.483  -1.956   3.204
  467    HB3  TYR  71           HB3      TYR  71  -1.426  -3.712   3.034
  468    HD1  TYR  71           HD2      TYR  71  -0.723  -0.900   5.319
  469    HD2  TYR  71           HD1      TYR  71  -0.952  -5.128   4.877
  470    HE1  TYR  71           HE2      TYR  71  -0.590  -1.154   7.762
  471    HE2  TYR  71           HE1      TYR  71  -0.822  -5.392   7.322
  472    HH   TYR  71           HH       TYR  71   0.018  -4.126   9.267
  473    H    VAL  72           H        VAL  72   2.311  -2.062   4.331
  474    HA   VAL  72           HA       VAL  72   3.748  -4.586   4.183
  475    HB   VAL  72           HB       VAL  72   4.497  -2.103   5.726
  476   HG11  VAL  72          2HG1      VAL  72   6.781  -3.006   5.503
  477   HG12  VAL  72          1HG1      VAL  72   6.107  -4.452   4.751
  478   HG13  VAL  72          3HG1      VAL  72   5.704  -4.058   6.424
  479   HG21  VAL  72          3HG2      VAL  72   5.254  -2.833   2.896
  480   HG22  VAL  72          2HG2      VAL  72   5.882  -1.463   3.815
  481   HG23  VAL  72          1HG2      VAL  72   4.173  -1.522   3.376
  482    H    GLU  73           H        GLU  73   3.227  -6.149   5.562
  483    HA   GLU  73           HA       GLU  73   1.838  -5.542   8.019
  484    HB2  GLU  73           HB2      GLU  73   2.759  -8.183   6.868
  485    HB3  GLU  73           HB3      GLU  73   1.795  -8.010   8.330
  486    HG2  GLU  73           HG2      GLU  73   0.058  -6.873   6.947
  487    HG3  GLU  73           HG3      GLU  73   1.006  -7.287   5.521
  488    H    SER  74           H        SER  74   5.056  -6.188   6.977
  489    HA   SER  74           HA       SER  74   6.251  -5.416   9.366
  490    HB2  SER  74           HB2      SER  74   7.192  -7.651  10.095
  491    HB3  SER  74           HB3      SER  74   5.469  -7.438  10.403
  492    HG   SER  74           HG       SER  74   6.536  -9.429   9.170
  493    H    VAL  75           H        VAL  75   8.446  -5.162   9.120
  494    HA   VAL  75           HA       VAL  75   9.622  -6.264   6.659
  495    HB   VAL  75           HB       VAL  75   9.812  -3.833   6.751
  496   HG11  VAL  75          2HG1      VAL  75  11.294  -4.232   9.347
  497   HG12  VAL  75          1HG1      VAL  75   9.697  -3.506   9.162
  498   HG13  VAL  75          3HG1      VAL  75  11.115  -2.703   8.488
  499   HG21  VAL  75          3HG2      VAL  75  12.444  -5.225   7.243
  500   HG22  VAL  75          2HG2      VAL  75  12.262  -3.624   6.525
  501   HG23  VAL  75          1HG2      VAL  75  11.626  -5.042   5.691
  502    H    ASN  76           H        ASN  76  11.197  -7.738   6.813
  503    HA   ASN  76           HA       ASN  76  11.595  -8.881   9.426
  504    HB2  ASN  76           HB2      ASN  76  12.568  -9.795   6.711
  505    HB3  ASN  76           HB3      ASN  76  12.740 -10.710   8.206
  506   HD21  ASN  76          1HD2      ASN  76  10.519  -9.558   5.788
  507   HD22  ASN  76          2HD2      ASN  76   9.192 -10.585   6.226
  508    H    SER  77           H        SER  77  13.615  -9.228  10.417
  509    HA   SER  77           HA       SER  77  15.442  -7.099  10.198
  510    HB2  SER  77           HB2      SER  77  16.838  -8.596  11.742
  511    HB3  SER  77           HB3      SER  77  15.238  -8.120  12.311
  512    HG   SER  77           HG       SER  77  15.785 -10.412  12.525
  513    H    ASP  78           H        ASP  78  15.126  -9.872   8.329
  514    HA   ASP  78           HA       ASP  78  17.879 -10.270   7.637
  515    HB2  ASP  78           HB2      ASP  78  15.339 -11.138   6.245
  516    HB3  ASP  78           HB3      ASP  78  16.956 -11.660   5.793
  517    H    GLY  79           H        GLY  79  15.544  -7.950   6.797
  518    HA2  GLY  79           HA1      GLY  79  16.042  -6.094   5.385
  519    HA3  GLY  79           HA2      GLY  79  17.168  -7.109   4.495
  520    H    SER  80           H        SER  80  14.450  -8.868   5.093
  521    HA   SER  80           HA       SER  80  13.351  -8.266   2.444
  522    HB2  SER  80           HB2      SER  80  12.862 -10.698   4.173
  523    HB3  SER  80           HB3      SER  80  12.375 -10.477   2.492
  524    HG   SER  80           HG       SER  80  15.038 -10.063   2.837
  525    H    VAL  81           H        VAL  81  11.203  -7.777   2.193
  526    HA   VAL  81           HA       VAL  81   9.874  -6.934   4.678
  527    HB   VAL  81           HB       VAL  81   9.514  -5.844   1.882
  528   HG11  VAL  81          2HG1      VAL  81   8.265  -4.055   2.963
  529   HG12  VAL  81          1HG1      VAL  81   8.477  -4.837   4.529
  530   HG13  VAL  81          3HG1      VAL  81   7.515  -5.620   3.275
  531   HG21  VAL  81          3HG2      VAL  81  10.714  -3.869   2.747
  532   HG22  VAL  81          2HG2      VAL  81  11.719  -5.319   2.738
  533   HG23  VAL  81          1HG2      VAL  81  11.023  -4.741   4.251
  534    H    THR  82           H        THR  82   7.951  -7.718   5.199
  535    HA   THR  82           HA       THR  82   6.654  -9.576   3.349
  536    HB   THR  82           HB       THR  82   6.327  -9.159   6.336
  537    HG1  THR  82           HG1      THR  82   7.412 -11.356   4.869
  538   HG21  THR  82          3HG2      THR  82   5.042 -11.225   4.533
  539   HG22  THR  82          1HG2      THR  82   4.209  -9.891   5.331
  540   HG23  THR  82          2HG2      THR  82   4.930 -11.181   6.293
  541    H    ILE  83           H        ILE  83   5.262  -8.534   2.055
  542    HA   ILE  83           HA       ILE  83   3.553  -6.443   3.234
  543    HB   ILE  83           HB       ILE  83   3.240  -5.587   0.945
  544   HG12  ILE  83          2HG1      ILE  83   5.343  -7.622   0.178
  545   HG13  ILE  83          3HG1      ILE  83   3.636  -7.732  -0.232
  546   HG21  ILE  83          2HG2      ILE  83   6.125  -5.826   1.784
  547   HG22  ILE  83          1HG2      ILE  83   4.970  -4.621   2.350
  548   HG23  ILE  83          3HG2      ILE  83   5.477  -4.631   0.661
  549   HD11  ILE  83          3HD1      ILE  83   4.907  -6.939  -2.117
  550   HD12  ILE  83          2HD1      ILE  83   5.564  -5.617  -1.153
  551   HD13  ILE  83          1HD1      ILE  83   3.842  -5.661  -1.532
  552    H    SER  84           H        SER  84   1.419  -6.204   2.100
  553    HA   SER  84           HA       SER  84   0.353  -8.695   1.019
  554    HB2  SER  84           HB2      SER  84  -1.693  -8.388   2.483
  555    HB3  SER  84           HB3      SER  84  -0.232  -8.897   3.330
  556    HG   SER  84           HG       SER  84  -0.025  -6.394   3.499
  557    H    GLU  85           H        GLU  85  -0.653  -8.276  -0.782
  558    HA   GLU  85           HA       GLU  85  -1.986  -5.685  -1.167
  559    HB2  GLU  85           HB2      GLU  85  -1.248  -5.990  -3.639
  560    HB3  GLU  85           HB3      GLU  85  -0.076  -5.386  -2.475
  561    HG2  GLU  85           HG2      GLU  85   0.954  -7.546  -2.306
  562    HG3  GLU  85           HG3      GLU  85  -0.303  -8.267  -3.307
  563    H    MET  86           H        MET  86  -4.102  -6.106  -1.320
  564    HA   MET  86           HA       MET  86  -4.979  -8.702  -2.307
  565    HB2  MET  86           HB2      MET  86  -5.960  -7.842  -0.216
  566    HB3  MET  86           HB3      MET  86  -6.579  -6.448  -1.088
  567    HG2  MET  86           HG2      MET  86  -7.931  -7.940  -2.489
  568    HG3  MET  86           HG3      MET  86  -7.354  -9.318  -1.556
  569    HE1  MET  86           HE1      MET  86  -8.975  -8.758   1.928
  570    HE2  MET  86           HE2      MET  86  -8.049  -9.848   0.899
  571    HE3  MET  86           HE3      MET  86  -7.344  -8.319   1.417
  572    H    ASN  87           H        ASN  87  -5.616  -9.010  -4.304
  573    HA   ASN  87           HA       ASN  87  -6.703  -8.782  -6.280
  574    HB2  ASN  87           HB2      ASN  87  -8.531  -7.633  -5.221
  575    HB3  ASN  87           HB3      ASN  87  -7.618  -6.129  -5.165
  576   HD21  ASN  87          1HD2      ASN  87  -7.398  -4.901  -7.037
  577   HD22  ASN  87          2HD2      ASN  87  -8.357  -5.189  -8.444
  578    H    TYR  88           H        TYR  88  -5.050  -5.847  -5.251
  579    HA   TYR  88           HA       TYR  88  -3.508  -4.522  -6.237
  580    HB2  TYR  88           HB2      TYR  88  -2.420  -6.746  -6.774
  581    HB3  TYR  88           HB3      TYR  88  -3.203  -6.672  -8.346
  582    HD1  TYR  88           HD1      TYR  88  -2.524  -4.902  -9.974
  583    HD2  TYR  88           HD2      TYR  88  -0.475  -5.486  -6.296
  584    HE1  TYR  88           HE1      TYR  88  -0.613  -3.625 -10.841
  585    HE2  TYR  88           HE2      TYR  88   1.439  -4.205  -7.152
  586    HH   TYR  88           HH       TYR  88   1.295  -2.232  -9.781
  587    H    SER  89           H        SER  89  -4.428  -5.986  -9.262
  588    HA   SER  89           HA       SER  89  -6.400  -4.012  -9.947
  589    HB2  SER  89           HB2      SER  89  -3.742  -4.002 -11.415
  590    HB3  SER  89           HB3      SER  89  -5.164  -3.059 -11.857
  591    HG   SER  89           HG       SER  89  -4.576  -2.593  -9.287
  592    H    GLY  90           H        GLY  90  -6.123  -6.904  -9.737
  593    HA2  GLY  90           HA1      GLY  90  -6.731  -7.656 -12.500
  594    HA3  GLY  90           HA2      GLY  90  -5.359  -8.449 -11.747
  595    H    GLY  91           H        GLY  91  -5.758  -9.741  -9.832
  596    HA2  GLY  91           HA1      GLY  91  -8.172 -11.287 -10.237
  597    HA3  GLY  91           HA2      GLY  91  -6.814 -11.721  -9.210
  598    HA   PRO  92           HA       PRO  92 -10.308  -8.994  -7.020
  599    HB2  PRO  92           HB2      PRO  92 -12.274 -11.172  -7.469
  600    HB3  PRO  92           HB3      PRO  92 -12.510  -9.418  -7.479
  601    HG2  PRO  92           HG2      PRO  92 -12.497 -10.797  -9.754
  602    HG3  PRO  92           HG3      PRO  92 -11.735  -9.196  -9.655
  603    HD2  PRO  92           HD2      PRO  92 -10.463 -11.907  -9.634
  604    HD3  PRO  92           HD3      PRO  92  -9.933 -10.419 -10.450
  605    H    PHE  93           H        PHE  93  -9.748  -9.236  -5.014
  606    HA   PHE  93           HA       PHE  93  -9.515 -10.026  -2.919
  607    HB2  PHE  93           HB2      PHE  93 -11.036 -12.427  -3.926
  608    HB3  PHE  93           HB3      PHE  93 -10.551 -12.171  -2.250
  609    HD1  PHE  93           HD2      PHE  93 -11.478 -10.201  -1.012
  610    HD2  PHE  93           HD1      PHE  93 -12.979 -11.432  -4.799
  611    HE1  PHE  93           HE2      PHE  93 -13.540  -8.924  -0.607
  612    HE2  PHE  93           HE1      PHE  93 -15.043 -10.157  -4.398
  613    HZ   PHE  93           HZ       PHE  93 -15.326  -8.901  -2.299
  614    H    SER  94           H        SER  94  -7.888 -11.144  -5.488
  615    HA   SER  94           HA       SER  94  -6.464 -13.310  -4.360
  616    HB2  SER  94           HB2      SER  94  -5.531 -11.229  -6.357
  617    HB3  SER  94           HB3      SER  94  -4.652 -12.712  -5.959
  618    HG   SER  94           HG       SER  94  -6.900 -13.665  -6.569
  619    H    VAL  95           H        VAL  95  -6.053 -12.838  -2.207
  620    HA   VAL  95           HA       VAL  95  -4.667 -10.522  -1.375
  621    HB   VAL  95           HB       VAL  95  -4.657 -13.210   0.005
  622   HG11  VAL  95          2HG1      VAL  95  -4.272 -11.886   2.042
  623   HG12  VAL  95          1HG1      VAL  95  -4.178 -10.424   1.058
  624   HG13  VAL  95          3HG1      VAL  95  -2.972 -11.695   0.867
  625   HG21  VAL  95          3HG2      VAL  95  -6.599 -10.921   0.298
  626   HG22  VAL  95          2HG2      VAL  95  -6.560 -12.369   1.304
  627   HG23  VAL  95          1HG2      VAL  95  -6.944 -12.499  -0.412
  628    H    SER  96           H        SER  96  -2.958 -10.233  -2.777
  629    HA   SER  96           HA       SER  96  -1.209 -12.371  -3.485
  630    HB2  SER  96           HB2      SER  96  -1.765 -10.529  -5.046
  631    HB3  SER  96           HB3      SER  96  -0.930  -9.395  -3.988
  632    HG   SER  96           HG       SER  96   0.758  -9.898  -5.117
  633    H    SER  97           H        SER  97   0.351 -13.094  -2.332
  634    HA   SER  97           HA       SER  97   1.534 -11.478  -0.211
  635    HB2  SER  97           HB2      SER  97   2.112 -14.357  -0.956
  636    HB3  SER  97           HB3      SER  97   2.581 -13.539   0.531
  637    HG   SER  97           HG       SER  97   0.253 -13.252   0.896
  638    H    ARG  98           H        ARG  98   3.639 -10.758  -0.260
  639    HA   ARG  98           HA       ARG  98   5.369 -11.573  -2.434
  640    HB2  ARG  98           HB2      ARG  98   3.793  -9.634  -3.166
  641    HB3  ARG  98           HB3      ARG  98   4.814  -8.637  -2.143
  642    HG2  ARG  98           HG2      ARG  98   6.771  -9.337  -3.461
  643    HG3  ARG  98           HG3      ARG  98   5.698 -10.267  -4.507
  644    HD2  ARG  98           HD2      ARG  98   5.633  -7.279  -4.088
  645    HD3  ARG  98           HD3      ARG  98   6.238  -8.117  -5.514
  646    HE   ARG  98           HE       ARG  98   3.440  -7.769  -4.732
  647   HH11  ARG  98          2HH1      ARG  98   5.769  -9.141  -6.966
  648   HH12  ARG  98          1HH1      ARG  98   4.600  -9.426  -8.217
  649   HH21  ARG  98          2HH2      ARG  98   1.902  -8.116  -6.383
  650   HH22  ARG  98          1HH2      ARG  98   2.408  -8.851  -7.889
  651    H    THR  99           H        THR  99   7.523 -11.217  -2.008
  652    HA   THR  99           HA       THR  99   8.122 -10.085   0.647
  653    HB   THR  99           HB       THR  99   9.682 -12.225  -0.821
  654    HG1  THR  99           HG1      THR  99   7.471 -12.772   0.021
  655   HG21  THR  99          3HG2      THR  99   9.849 -11.233   2.031
  656   HG22  THR  99          1HG2      THR  99  11.020 -10.903   0.753
  657   HG23  THR  99          2HG2      THR  99  10.796 -12.551   1.338
  658    H    ILE 100           H        ILE 100   9.218  -8.249   0.561
  659    HA   ILE 100           HA       ILE 100  10.481  -7.478  -1.968
  660    HB   ILE 100           HB       ILE 100   9.849  -5.788   0.458
  661   HG12  ILE 100          2HG1      ILE 100   7.796  -6.565  -0.564
  662   HG13  ILE 100          3HG1      ILE 100   8.031  -4.858  -0.949
  663   HG21  ILE 100          2HG2      ILE 100  10.743  -5.009  -2.312
  664   HG22  ILE 100          1HG2      ILE 100  11.677  -4.860  -0.823
  665   HG23  ILE 100          3HG2      ILE 100  10.225  -3.886  -1.054
  666   HD11  ILE 100          3HD1      ILE 100   8.796  -5.443  -3.171
  667   HD12  ILE 100          2HD1      ILE 100   7.212  -6.157  -2.863
  668   HD13  ILE 100          1HD1      ILE 100   8.661  -7.160  -2.791
  669    H    SER 101           H        SER 101  12.594  -7.906  -2.125
  670    HA   SER 101           HA       SER 101  14.377  -8.078   0.079
  671    HB2  SER 101           HB2      SER 101  15.064  -7.546  -2.823
  672    HB3  SER 101           HB3      SER 101  16.129  -8.220  -1.589
  673    HG   SER 101           HG       SER 101  15.224  -9.828  -2.948
  674    H    ALA 102           H        ALA 102  16.058  -6.587   0.669
  675    HA   ALA 102           HA       ALA 102  15.353  -3.966   1.044
  676    HB1  ALA 102           HB1      ALA 102  17.664  -3.541   1.633
  677    HB2  ALA 102           HB2      ALA 102  17.155  -5.113   2.247
  678    HB3  ALA 102           HB3      ALA 102  18.167  -5.015   0.806
  679    H    SER 103           H        SER 103  17.286  -5.274  -1.649
  680    HA   SER 103           HA       SER 103  17.911  -2.819  -2.859
  681    HB2  SER 103           HB2      SER 103  19.005  -4.917  -3.499
  682    HB3  SER 103           HB3      SER 103  17.486  -5.527  -4.154
  683    HG   SER 103           HG       SER 103  19.236  -4.340  -5.542
  684    H    GLU 104           H        GLU 104  15.100  -4.924  -3.191
  685    HA   GLU 104           HA       GLU 104  13.803  -3.379  -5.226
  686    HB2  GLU 104           HB2      GLU 104  13.458  -5.881  -4.190
  687    HB3  GLU 104           HB3      GLU 104  12.155  -5.014  -3.392
  688    HG2  GLU 104           HG2      GLU 104  11.359  -6.041  -5.419
  689    HG3  GLU 104           HG3      GLU 104  11.317  -4.285  -5.570
  690    H    ALA 105           H        ALA 105  13.766  -3.485  -1.711
  691    HA   ALA 105           HA       ALA 105  11.588  -1.766  -1.249
  692    HB1  ALA 105           HB1      ALA 105  12.514  -1.492   0.992
  693    HB2  ALA 105           HB2      ALA 105  12.574  -3.180   0.486
  694    HB3  ALA 105           HB3      ALA 105  14.040  -2.199   0.457
  695    H    GLY 106           H        GLY 106  14.927  -1.151  -2.064
  696    HA2  GLY 106           HA1      GLY 106  14.989   1.619  -1.510
  697    HA3  GLY 106           HA2      GLY 106  16.007   0.785  -2.675
  698    H    ASN 107           H        ASN 107  13.501  -0.187  -4.053
  699    HA   ASN 107           HA       ASN 107  13.184   2.076  -5.834
  700    HB2  ASN 107           HB2      ASN 107  13.333  -0.167  -6.798
  701    HB3  ASN 107           HB3      ASN 107  11.938  -0.688  -5.858
  702   HD21  ASN 107          1HD2      ASN 107  10.478  -1.137  -7.414
  703   HD22  ASN 107          2HD2      ASN 107   9.953  -0.007  -8.609
  704    H    TYR 108           H        TYR 108  11.320   0.319  -3.453
  705    HA   TYR 108           HA       TYR 108   8.854   1.614  -4.181
  706    HB2  TYR 108           HB2      TYR 108   9.551  -0.343  -2.006
  707    HB3  TYR 108           HB3      TYR 108   7.937   0.306  -2.257
  708    HD1  TYR 108           HD1      TYR 108   7.028   0.012  -4.743
  709    HD2  TYR 108           HD2      TYR 108  10.066  -2.373  -2.958
  710    HE1  TYR 108           HE1      TYR 108   6.524  -1.803  -6.325
  711    HE2  TYR 108           HE2      TYR 108   9.574  -4.189  -4.535
  712    HH   TYR 108           HH       TYR 108   7.720  -3.781  -7.304
  713    H    ASN 109           H        ASN 109   8.058   3.364  -3.351
  714    HA   ASN 109           HA       ASN 109   9.328   4.756  -1.146
  715    HB2  ASN 109           HB2      ASN 109   6.894   5.413  -2.828
  716    HB3  ASN 109           HB3      ASN 109   7.562   6.468  -1.588
  717   HD21  ASN 109          1HD2      ASN 109   7.206   6.857  -4.470
  718   HD22  ASN 109          2HD2      ASN 109   8.775   7.268  -5.077
  719    H    TYR 110           H        TYR 110   7.907   5.587   0.646
  720    HA   TYR 110           HA       TYR 110   5.459   4.112   1.059
  721    HB2  TYR 110           HB2      TYR 110   5.977   3.033   3.010
  722    HB3  TYR 110           HB3      TYR 110   7.479   2.863   2.124
  723    HD1  TYR 110           HD2      TYR 110   8.910   5.374   2.667
  724    HD2  TYR 110           HD1      TYR 110   6.424   3.048   5.206
  725    HE1  TYR 110           HE2      TYR 110  10.108   6.244   4.636
  726    HE2  TYR 110           HE1      TYR 110   7.612   3.892   7.172
  727    HH   TYR 110           HH       TYR 110   9.753   6.517   7.078
  728    H    ILE 111           H        ILE 111   3.955   5.233   2.256
  729    HA   ILE 111           HA       ILE 111   4.791   7.987   2.809
  730    HB   ILE 111           HB       ILE 111   2.544   8.715   2.305
  731   HG12  ILE 111          2HG1      ILE 111   1.894   5.826   1.696
  732   HG13  ILE 111          3HG1      ILE 111   1.365   6.684   3.135
  733   HG21  ILE 111          2HG2      ILE 111   2.455   8.137  -0.086
  734   HG22  ILE 111          1HG2      ILE 111   3.611   6.835   0.197
  735   HG23  ILE 111          3HG2      ILE 111   4.094   8.513   0.443
  736   HD11  ILE 111          3HD1      ILE 111   0.111   8.247   1.738
  737   HD12  ILE 111          2HD1      ILE 111  -0.402   6.579   1.475
  738   HD13  ILE 111          1HD1      ILE 111   0.643   7.375   0.296
  739    H    HIS 112           H        HIS 112   4.803   8.617   4.829
  740    HA   HIS 112           HA       HIS 112   2.857   7.424   6.683
  741    HB2  HIS 112           HB2      HIS 112   4.549   7.369   8.444
  742    HB3  HIS 112           HB3      HIS 112   5.094   6.412   7.072
  743    HD1  HIS 112           HD1      HIS 112   5.758   9.642   8.876
  744    HD2  HIS 112           HD2      HIS 112   7.435   7.322   5.829
  745    HE1  HIS 112           HE1      HIS 112   8.024  10.625   8.439
  746    HE2  HIS 112           HE2      HIS 112   9.102   9.058   6.796
  747    H    ILE 113           H        ILE 113   2.332   8.859   8.491
  748    HA   ILE 113           HA       ILE 113   2.188  11.568   7.869
  749    HB   ILE 113           HB       ILE 113   1.671  11.885  10.282
  750   HG12  ILE 113          2HG1      ILE 113   3.101   9.929  11.075
  751   HG13  ILE 113          3HG1      ILE 113   1.530  10.121  11.840
  752   HG21  ILE 113          2HG2      ILE 113   0.154   9.717   8.870
  753   HG22  ILE 113          1HG2      ILE 113  -0.082  11.455   8.686
  754   HG23  ILE 113          3HG2      ILE 113  -0.456  10.672  10.221
  755   HD11  ILE 113          3HD1      ILE 113   2.238   8.138   9.689
  756   HD12  ILE 113          2HD1      ILE 113   0.634   8.349  10.394
  757   HD13  ILE 113          1HD1      ILE 113   1.975   7.796  11.399
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1 -26.091  -1.842  -2.811
    2    H2   GLY   1           H2       GLY   1 -26.392  -2.427  -1.247
    3    H3   GLY   1           H3       GLY   1 -25.553  -3.386  -2.363
    4    HA2  GLY   1           HA2      GLY   1 -23.743  -1.751  -2.396
    5    HA3  GLY   1           HA1      GLY   1 -24.607  -0.843  -1.163
    6    H    SER   2           H        SER   2 -22.916  -3.835  -1.872
    7    HA   SER   2           HA       SER   2 -23.084  -4.782   0.841
    8    HB2  SER   2           HB2      SER   2 -21.362  -5.792  -1.436
    9    HB3  SER   2           HB3      SER   2 -21.746  -6.655   0.054
   10    HG   SER   2           HG       SER   2 -23.113  -7.373  -1.577
   11    H    SER   3           H        SER   3 -22.104  -3.252   2.145
   12    HA   SER   3           HA       SER   3 -19.230  -2.832   1.737
   13    HB2  SER   3           HB2      SER   3 -19.526  -1.073   3.530
   14    HB3  SER   3           HB3      SER   3 -20.401  -0.758   2.033
   15    HG   SER   3           HG       SER   3 -21.720  -0.395   3.845
   16    H    ILE   4           H        ILE   4 -17.920  -2.834   3.826
   17    HA   ILE   4           HA       ILE   4 -18.123  -5.357   5.071
   18    HB   ILE   4           HB       ILE   4 -16.606  -2.928   6.054
   19   HG12  ILE   4          2HG1      ILE   4 -15.678  -5.214   4.297
   20   HG13  ILE   4          3HG1      ILE   4 -16.047  -3.591   3.723
   21   HG21  ILE   4          2HG2      ILE   4 -16.836  -4.619   7.777
   22   HG22  ILE   4          1HG2      ILE   4 -15.174  -4.574   7.193
   23   HG23  ILE   4          3HG2      ILE   4 -16.258  -5.863   6.669
   24   HD11  ILE   4          3HD1      ILE   4 -14.237  -2.691   5.075
   25   HD12  ILE   4          2HD1      ILE   4 -13.651  -3.937   3.973
   26   HD13  ILE   4          1HD1      ILE   4 -13.877  -4.307   5.683
   27    H    SER   5           H        SER   5 -18.479  -2.159   6.600
   28    HA   SER   5           HA       SER   5 -20.885  -2.990   7.958
   29    HB2  SER   5           HB2      SER   5 -18.417  -2.215   9.549
   30    HB3  SER   5           HB3      SER   5 -20.031  -2.461  10.219
   31    HG   SER   5           HG       SER   5 -19.329  -4.592   8.743
   32    H    HIS   6           H        HIS   6 -22.106  -1.343   7.299
   33    HA   HIS   6           HA       HIS   6 -22.890   0.738   6.871
   34    HB2  HIS   6           HB2      HIS   6 -20.668   1.619   8.729
   35    HB3  HIS   6           HB3      HIS   6 -21.886   2.700   8.066
   36    HD1  HIS   6           HD1      HIS   6 -21.216   1.403  11.129
   37    HD2  HIS   6           HD2      HIS   6 -24.594   1.113   8.721
   38    HE1  HIS   6           HE1      HIS   6 -23.119   0.876  12.689
   39    HE2  HIS   6           HE2      HIS   6 -25.179   0.890  11.230
   40    H    SER   7           H        SER   7 -19.521   1.692   7.224
   41    HA   SER   7           HA       SER   7 -19.036   1.673   4.384
   42    HB2  SER   7           HB2      SER   7 -20.246   3.828   4.715
   43    HB3  SER   7           HB3      SER   7 -19.029   4.305   5.897
   44    HG   SER   7           HG       SER   7 -18.217   3.527   3.318
   45    H    GLY   8           H        GLY   8 -16.810   1.789   3.930
   46    HA2  GLY   8           HA1      GLY   8 -15.018   2.063   6.248
   47    HA3  GLY   8           HA2      GLY   8 -14.968   0.572   5.318
   48    H    ASN   9           H        ASN   9 -15.178   1.429   2.765
   49    HA   ASN   9           HA       ASN   9 -13.101   3.448   2.366
   50    HB2  ASN   9           HB2      ASN   9 -12.079   1.119   2.419
   51    HB3  ASN   9           HB3      ASN   9 -13.024   0.757   0.981
   52   HD21  ASN   9          1HD2      ASN   9 -10.167   0.728   1.278
   53   HD22  ASN   9          2HD2      ASN   9  -9.546   1.866   0.131
   54    H    LEU  10           H        LEU  10 -13.224   4.464   0.354
   55    HA   LEU  10           HA       LEU  10 -15.849   4.428  -0.864
   56    HB2  LEU  10           HB2      LEU  10 -13.400   6.066  -1.488
   57    HB3  LEU  10           HB3      LEU  10 -15.014   6.374  -2.099
   58    HG   LEU  10           HG       LEU  10 -14.187   6.541   0.800
   59   HD11  LEU  10          2HD1      LEU  10 -14.790   8.716  -1.195
   60   HD12  LEU  10          1HD1      LEU  10 -13.201   8.316  -0.541
   61   HD13  LEU  10          3HD1      LEU  10 -14.457   8.949   0.522
   62   HD21  LEU  10          3HD2      LEU  10 -16.787   7.235  -0.562
   63   HD22  LEU  10          2HD2      LEU  10 -16.396   7.559   1.128
   64   HD23  LEU  10          1HD2      LEU  10 -16.517   5.896   0.553
   65    H    TYR  11           H        TYR  11 -13.075   2.699  -1.302
   66    HA   TYR  11           HA       TYR  11 -12.932   2.872  -4.179
   67    HB2  TYR  11           HB2      TYR  11 -11.131   2.209  -2.117
   68    HB3  TYR  11           HB3      TYR  11 -11.319   0.756  -3.097
   69    HD1  TYR  11           HD2      TYR  11 -10.277   4.280  -3.119
   70    HD2  TYR  11           HD1      TYR  11 -10.486   0.662  -5.343
   71    HE1  TYR  11           HE2      TYR  11  -8.773   5.241  -4.809
   72    HE2  TYR  11           HE1      TYR  11  -8.983   1.611  -7.041
   73    HH   TYR  11           HH       TYR  11  -7.380   4.684  -6.560
   74    H    THR  12           H        THR  12 -12.366   0.538  -5.119
   75    HA   THR  12           HA       THR  12 -14.951  -0.696  -5.289
   76    HB   THR  12           HB       THR  12 -12.440  -1.649  -6.669
   77    HG1  THR  12           HG1      THR  12 -14.027   0.660  -7.149
   78   HG21  THR  12          3HG2      THR  12 -14.017  -2.199  -8.475
   79   HG22  THR  12          1HG2      THR  12 -15.351  -1.589  -7.494
   80   HG23  THR  12          2HG2      THR  12 -14.451  -3.013  -6.972
   81    H    ALA  13           H        ALA  13 -15.154  -3.100  -5.247
   82    HA   ALA  13           HA       ALA  13 -14.466  -3.976  -2.662
   83    HB1  ALA  13           HB1      ALA  13 -15.691  -6.003  -3.219
   84    HB2  ALA  13           HB2      ALA  13 -16.582  -4.570  -3.732
   85    HB3  ALA  13           HB3      ALA  13 -15.708  -5.537  -4.920
   86    H    GLY  14           H        GLY  14 -12.368  -4.398  -2.254
   87    HA2  GLY  14           HA1      GLY  14 -10.579  -5.874  -2.120
   88    HA3  GLY  14           HA2      GLY  14 -11.286  -6.805  -3.434
   89    H    GLN  15           H        GLN  15  -9.838  -3.620  -2.877
   90    HA   GLN  15           HA       GLN  15  -8.331  -3.974  -5.392
   91    HB2  GLN  15           HB2      GLN  15  -9.119  -1.395  -4.014
   92    HB3  GLN  15           HB3      GLN  15  -8.176  -1.514  -5.494
   93    HG2  GLN  15           HG2      GLN  15 -10.943  -2.633  -5.249
   94    HG3  GLN  15           HG3      GLN  15 -10.625  -0.969  -5.733
   95   HE21  GLN  15          1HE2      GLN  15 -10.075  -4.334  -6.582
   96   HE22  GLN  15          2HE2      GLN  15  -9.915  -4.049  -8.275
   97    H    CYS  16           H        CYS  16  -6.161  -3.005  -5.398
   98    HA   CYS  16           HA       CYS  16  -4.602  -3.791  -3.206
   99    HB2  CYS  16           HB2      CYS  16  -2.816  -2.364  -4.354
  100    HB3  CYS  16           HB3      CYS  16  -3.516  -3.671  -5.303
  101    HG   CYS  16           HG       CYS  16  -3.694  -2.024  -7.292
  102    H    THR  17           H        THR  17  -5.758  -0.621  -4.247
  103    HA   THR  17           HA       THR  17  -4.529   0.777  -2.061
  104    HB   THR  17           HB       THR  17  -6.058   2.663  -2.877
  105    HG1  THR  17           HG1      THR  17  -6.841   2.155  -5.095
  106   HG21  THR  17          3HG2      THR  17  -4.721   3.070  -4.884
  107   HG22  THR  17          1HG2      THR  17  -4.189   1.389  -4.879
  108   HG23  THR  17          2HG2      THR  17  -3.711   2.468  -3.570
  109    H    TRP  18           H        TRP  18  -7.571  -0.738  -2.692
  110    HA   TRP  18           HA       TRP  18  -9.144   0.429  -0.678
  111    HB2  TRP  18           HB2      TRP  18 -10.030  -0.877  -2.572
  112    HB3  TRP  18           HB3      TRP  18  -9.283  -2.323  -1.917
  113    HD1  TRP  18           HD1      TRP  18 -12.224   0.069  -1.301
  114    HE1  TRP  18           HE1      TRP  18 -13.937  -1.146   0.191
  115    HE3  TRP  18           HE3      TRP  18  -9.537  -4.146  -0.192
  116    HZ2  TRP  18           HZ2      TRP  18 -14.134  -3.550   1.636
  117    HZ3  TRP  18           HZ3      TRP  18 -10.570  -5.850   1.247
  118    HH2  TRP  18           HH2      TRP  18 -12.819  -5.559   2.143
  119    H    TYR  19           H        TYR  19  -7.214  -2.557  -0.754
  120    HA   TYR  19           HA       TYR  19  -7.855  -3.319   1.911
  121    HB2  TYR  19           HB2      TYR  19  -7.182  -4.918   0.179
  122    HB3  TYR  19           HB3      TYR  19  -5.577  -4.197   0.135
  123    HD1  TYR  19           HD2      TYR  19  -7.924  -5.618   2.687
  124    HD2  TYR  19           HD1      TYR  19  -3.930  -5.318   1.257
  125    HE1  TYR  19           HE2      TYR  19  -7.188  -7.189   4.431
  126    HE2  TYR  19           HE1      TYR  19  -3.185  -6.889   2.992
  127    HH   TYR  19           HH       TYR  19  -3.772  -7.907   4.933
  128    H    VAL  20           H        VAL  20  -5.093  -1.652   0.462
  129    HA   VAL  20           HA       VAL  20  -3.473  -1.463   2.717
  130    HB   VAL  20           HB       VAL  20  -3.846   0.501   0.449
  131   HG11  VAL  20          2HG1      VAL  20  -2.969   1.693   2.393
  132   HG12  VAL  20          1HG1      VAL  20  -1.725   1.514   1.153
  133   HG13  VAL  20          3HG1      VAL  20  -1.706   0.478   2.581
  134   HG21  VAL  20          3HG2      VAL  20  -1.681  -1.519   1.033
  135   HG22  VAL  20          2HG2      VAL  20  -1.752  -0.443  -0.363
  136   HG23  VAL  20          1HG2      VAL  20  -2.967  -1.707  -0.159
  137    H    TYR  21           H        TYR  21  -6.170   0.594   1.692
  138    HA   TYR  21           HA       TYR  21  -5.931   2.448   3.819
  139    HB2  TYR  21           HB2      TYR  21  -7.188   2.821   1.659
  140    HB3  TYR  21           HB3      TYR  21  -8.454   1.773   2.292
  141    HD1  TYR  21           HD1      TYR  21  -6.509   4.807   3.253
  142    HD2  TYR  21           HD2      TYR  21 -10.222   2.737   3.408
  143    HE1  TYR  21           HE1      TYR  21  -7.513   6.711   4.423
  144    HE2  TYR  21           HE2      TYR  21 -11.245   4.647   4.560
  145    HH   TYR  21           HH       TYR  21  -9.639   7.687   4.878
  146    H    ASP  22           H        ASP  22  -7.681  -0.576   3.420
  147    HA   ASP  22           HA       ASP  22  -9.185  -0.517   5.799
  148    HB2  ASP  22           HB2      ASP  22  -9.669  -2.140   4.081
  149    HB3  ASP  22           HB3      ASP  22  -8.061  -2.836   4.214
  150    H    LYS  23           H        LYS  23  -5.974  -1.821   5.105
  151    HA   LYS  23           HA       LYS  23  -5.521  -2.930   7.658
  152    HB2  LYS  23           HB2      LYS  23  -3.640  -2.124   5.451
  153    HB3  LYS  23           HB3      LYS  23  -3.103  -2.921   6.925
  154    HG2  LYS  23           HG2      LYS  23  -5.164  -4.062   5.054
  155    HG3  LYS  23           HG3      LYS  23  -3.440  -4.440   4.986
  156    HD2  LYS  23           HD2      LYS  23  -5.112  -4.828   7.461
  157    HD3  LYS  23           HD3      LYS  23  -4.890  -6.086   6.245
  158    HE2  LYS  23           HE2      LYS  23  -2.437  -5.901   6.576
  159    HE3  LYS  23           HE3      LYS  23  -2.734  -4.743   7.871
  160    HZ1  LYS  23           HZ1      LYS  23  -3.898  -7.465   7.909
  161    HZ2  LYS  23           HZ2      LYS  23  -3.712  -6.383   9.205
  162    HZ3  LYS  23           HZ3      LYS  23  -2.351  -7.143   8.527
  163    H    VAL  24           H        VAL  24  -4.917   0.303   6.398
  164    HA   VAL  24           HA       VAL  24  -3.327   1.028   8.710
  165    HB   VAL  24           HB       VAL  24  -3.271   3.288   7.784
  166   HG11  VAL  24          2HG1      VAL  24  -1.640   1.689   6.982
  167   HG12  VAL  24          1HG1      VAL  24  -2.110   2.781   5.680
  168   HG13  VAL  24          3HG1      VAL  24  -2.756   1.141   5.730
  169   HG21  VAL  24          3HG2      VAL  24  -5.530   3.391   6.878
  170   HG22  VAL  24          2HG2      VAL  24  -5.101   2.208   5.641
  171   HG23  VAL  24          1HG2      VAL  24  -4.339   3.798   5.643
  172    H    GLY  25           H        GLY  25  -6.468   0.417   8.427
  173    HA2  GLY  25           HA1      GLY  25  -8.233   0.846   9.838
  174    HA3  GLY  25           HA2      GLY  25  -7.140   1.813  10.818
  175    H    GLY  26           H        GLY  26  -7.567   2.470   7.437
  176    HA2  GLY  26           HA1      GLY  26  -8.422   4.280   6.327
  177    HA3  GLY  26           HA2      GLY  26  -9.670   4.316   7.562
  178    H    GLU  27           H        GLU  27  -6.196   4.780   8.016
  179    HA   GLU  27           HA       GLU  27  -6.802   7.288   9.354
  180    HB2  GLU  27           HB2      GLU  27  -5.473   5.726  10.612
  181    HB3  GLU  27           HB3      GLU  27  -4.310   5.591   9.301
  182    HG2  GLU  27           HG2      GLU  27  -3.509   7.781   9.659
  183    HG3  GLU  27           HG3      GLU  27  -4.852   8.170  10.733
  184    H    ILE  28           H        ILE  28  -4.511   6.106   6.885
  185    HA   ILE  28           HA       ILE  28  -3.841   8.852   6.268
  186    HB   ILE  28           HB       ILE  28  -2.322   7.696   4.485
  187   HG12  ILE  28          2HG1      ILE  28  -1.516   5.467   5.667
  188   HG13  ILE  28          3HG1      ILE  28  -3.207   5.407   6.177
  189   HG21  ILE  28          2HG2      ILE  28  -0.567   7.433   6.192
  190   HG22  ILE  28          1HG2      ILE  28  -1.801   7.554   7.447
  191   HG23  ILE  28          3HG2      ILE  28  -1.491   8.924   6.380
  192   HD11  ILE  28          3HD1      ILE  28  -2.901   4.106   4.212
  193   HD12  ILE  28          2HD1      ILE  28  -2.181   5.479   3.370
  194   HD13  ILE  28          1HD1      ILE  28  -3.883   5.522   3.836
  195    H    GLY  29           H        GLY  29  -3.297   7.953   3.383
  196    HA2  GLY  29           HA1      GLY  29  -5.150   9.690   2.332
  197    HA3  GLY  29           HA2      GLY  29  -4.239   8.528   1.387
  198    H    SER  30           H        SER  30  -7.239   9.614   1.990
  199    HA   SER  30           HA       SER  30  -8.397   7.075   1.048
  200    HB2  SER  30           HB2      SER  30 -10.609   8.359   1.519
  201    HB3  SER  30           HB3      SER  30  -9.695   7.724   2.888
  202    HG   SER  30           HG       SER  30  -9.250   9.688   3.530
  203    H    THR  31           H        THR  31  -7.359  10.147   0.185
  204    HA   THR  31           HA       THR  31  -8.832  10.059  -2.360
  205    HB   THR  31           HB       THR  31  -8.371  12.559  -2.425
  206    HG1  THR  31           HG1      THR  31  -7.931  13.526  -0.379
  207   HG21  THR  31          3HG2      THR  31 -10.267  13.106  -0.981
  208   HG22  THR  31          1HG2      THR  31 -10.133  11.533  -0.195
  209   HG23  THR  31          2HG2      THR  31 -10.583  11.634  -1.898
  210    H    TRP  32           H        TRP  32  -6.211   8.823  -1.562
  211    HA   TRP  32           HA       TRP  32  -4.152  10.366  -2.791
  212    HB2  TRP  32           HB2      TRP  32  -2.789   8.299  -2.605
  213    HB3  TRP  32           HB3      TRP  32  -3.539   8.787  -1.087
  214    HD1  TRP  32           HD1      TRP  32  -5.354   6.882  -3.846
  215    HE1  TRP  32           HE1      TRP  32  -6.077   4.625  -2.938
  216    HE3  TRP  32           HE3      TRP  32  -3.017   7.077   0.666
  217    HZ2  TRP  32           HZ2      TRP  32  -5.715   3.067  -0.595
  218    HZ3  TRP  32           HZ3      TRP  32  -3.255   5.158   2.199
  219    HH2  TRP  32           HH2      TRP  32  -4.571   3.195   1.577
  220    H    GLY  33           H        GLY  33  -6.693   8.678  -4.134
  221    HA2  GLY  33           HA1      GLY  33  -7.109   8.411  -6.429
  222    HA3  GLY  33           HA2      GLY  33  -5.399   8.695  -6.726
  223    H    ASN  34           H        ASN  34  -4.457   7.034  -7.599
  224    HA   ASN  34           HA       ASN  34  -5.117   4.369  -6.556
  225    HB2  ASN  34           HB2      ASN  34  -4.559   3.418  -8.724
  226    HB3  ASN  34           HB3      ASN  34  -5.846   4.606  -8.897
  227   HD21  ASN  34          1HD2      ASN  34  -5.474   6.481 -10.014
  228   HD22  ASN  34          2HD2      ASN  34  -4.044   6.753 -10.953
  229    H    ALA  35           H        ALA  35  -3.068   2.920  -7.594
  230    HA   ALA  35           HA       ALA  35  -1.164   3.427  -5.585
  231    HB1  ALA  35           HB1      ALA  35  -1.021   1.497  -7.888
  232    HB2  ALA  35           HB2      ALA  35  -0.028   1.456  -6.430
  233    HB3  ALA  35           HB3      ALA  35  -1.767   1.188  -6.321
  234    H    ASN  36           H        ASN  36  -1.268   4.399  -8.916
  235    HA   ASN  36           HA       ASN  36   1.600   4.835  -9.083
  236    HB2  ASN  36           HB2      ASN  36   0.198   4.100 -11.041
  237    HB3  ASN  36           HB3      ASN  36  -0.542   5.703 -11.037
  238   HD21  ASN  36          1HD2      ASN  36   2.226   3.834 -11.829
  239   HD22  ASN  36          2HD2      ASN  36   3.105   5.075 -12.642
  240    H    ASN  37           H        ASN  37  -1.266   6.622  -8.374
  241    HA   ASN  37           HA       ASN  37   0.053   9.211  -8.672
  242    HB2  ASN  37           HB2      ASN  37  -2.243   8.883  -9.545
  243    HB3  ASN  37           HB3      ASN  37  -2.801   8.516  -7.920
  244   HD21  ASN  37          1HD2      ASN  37  -3.293  10.152  -6.549
  245   HD22  ASN  37          2HD2      ASN  37  -3.203  11.826  -6.979
  246    H    TRP  38           H        TRP  38   0.142   6.945  -6.443
  247    HA   TRP  38           HA       TRP  38  -0.928   7.835  -4.082
  248    HB2  TRP  38           HB2      TRP  38   0.979   5.849  -4.882
  249    HB3  TRP  38           HB3      TRP  38   1.491   6.619  -3.373
  250    HD1  TRP  38           HD1      TRP  38  -2.071   5.674  -4.544
  251    HE1  TRP  38           HE1      TRP  38  -3.132   4.260  -2.711
  252    HE3  TRP  38           HE3      TRP  38   1.927   5.356  -1.402
  253    HZ2  TRP  38           HZ2      TRP  38  -2.365   3.156  -0.178
  254    HZ3  TRP  38           HZ3      TRP  38   1.684   4.096   0.698
  255    HH2  TRP  38           HH2      TRP  38  -0.399   3.017   1.283
  256    H    ALA  39           H        ALA  39   2.557   8.156  -4.825
  257    HA   ALA  39           HA       ALA  39   3.165   9.611  -2.552
  258    HB1  ALA  39           HB1      ALA  39   4.873   8.562  -3.919
  259    HB2  ALA  39           HB2      ALA  39   4.555   9.709  -5.226
  260    HB3  ALA  39           HB3      ALA  39   5.226  10.277  -3.699
  261    H    ALA  40           H        ALA  40   2.149  10.790  -5.722
  262    HA   ALA  40           HA       ALA  40   2.543  13.531  -5.271
  263    HB1  ALA  40           HB1      ALA  40   2.158  12.553  -7.489
  264    HB2  ALA  40           HB2      ALA  40   0.484  12.221  -7.044
  265    HB3  ALA  40           HB3      ALA  40   1.055  13.887  -7.155
  266    H    ALA  41           H        ALA  41  -0.397  11.548  -4.890
  267    HA   ALA  41           HA       ALA  41  -1.977  13.696  -3.883
  268    HB1  ALA  41           HB1      ALA  41  -2.440  10.718  -3.626
  269    HB2  ALA  41           HB2      ALA  41  -3.633  11.991  -3.366
  270    HB3  ALA  41           HB3      ALA  41  -2.964  11.730  -4.974
  271    H    ALA  42           H        ALA  42  -0.030  11.197  -2.418
  272    HA   ALA  42           HA       ALA  42  -0.909  11.490   0.249
  273    HB1  ALA  42           HB1      ALA  42   0.244   9.517  -0.462
  274    HB2  ALA  42           HB2      ALA  42   1.677  10.455  -0.890
  275    HB3  ALA  42           HB3      ALA  42   1.193  10.307   0.798
  276    H    GLN  43           H        GLN  43   1.807  12.939  -1.552
  277    HA   GLN  43           HA       GLN  43   2.937  14.351   0.598
  278    HB2  GLN  43           HB2      GLN  43   2.946  14.923  -2.367
  279    HB3  GLN  43           HB3      GLN  43   3.861  15.871  -1.203
  280    HG2  GLN  43           HG2      GLN  43   5.103  13.882  -0.544
  281    HG3  GLN  43           HG3      GLN  43   4.180  12.918  -1.698
  282   HE21  GLN  43          1HE2      GLN  43   6.618  15.357  -1.291
  283   HE22  GLN  43          2HE2      GLN  43   7.258  15.275  -2.903
  284    H    GLY  44           H        GLY  44   0.344  15.173  -1.642
  285    HA2  GLY  44           HA1      GLY  44   0.007  17.840  -0.653
  286    HA3  GLY  44           HA2      GLY  44  -1.110  16.963  -1.690
  287    H    ALA  45           H        ALA  45  -0.820  14.798   0.575
  288    HA   ALA  45           HA       ALA  45  -3.117  15.767   2.072
  289    HB1  ALA  45           HB1      ALA  45  -1.763  13.071   2.118
  290    HB2  ALA  45           HB2      ALA  45  -3.275  13.487   2.924
  291    HB3  ALA  45           HB3      ALA  45  -3.182  13.502   1.163
  292    H    GLY  46           H        GLY  46   0.255  15.614   2.390
  293    HA2  GLY  46           HA1      GLY  46   1.384  16.763   4.133
  294    HA3  GLY  46           HA2      GLY  46   0.017  16.449   5.192
  295    H    PHE  47           H        PHE  47   1.382  13.908   3.230
  296    HA   PHE  47           HA       PHE  47   2.117  12.483   5.660
  297    HB2  PHE  47           HB2      PHE  47   2.226  11.574   2.776
  298    HB3  PHE  47           HB3      PHE  47   2.540  10.560   4.173
  299    HD1  PHE  47           HD2      PHE  47  -0.033  12.527   5.281
  300    HD2  PHE  47           HD1      PHE  47   0.738   9.447   2.453
  301    HE1  PHE  47           HE2      PHE  47  -2.415  11.908   5.302
  302    HE2  PHE  47           HE1      PHE  47  -1.637   8.807   2.466
  303    HZ   PHE  47           HZ       PHE  47  -3.216  10.058   3.895
  304    H    THR  48           H        THR  48   4.197  11.496   5.916
  305    HA   THR  48           HA       THR  48   6.392  13.022   4.753
  306    HB   THR  48           HB       THR  48   6.577  10.744   6.739
  307    HG1  THR  48           HG1      THR  48   5.352  12.216   7.825
  308   HG21  THR  48          3HG2      THR  48   8.689  11.848   7.361
  309   HG22  THR  48          1HG2      THR  48   8.425  13.048   6.096
  310   HG23  THR  48          2HG2      THR  48   8.680  11.357   5.667
  311    H    VAL  49           H        VAL  49   6.816  12.358   2.722
  312    HA   VAL  49           HA       VAL  49   6.496   9.523   2.070
  313    HB   VAL  49           HB       VAL  49   6.789  11.878   0.197
  314   HG11  VAL  49          2HG1      VAL  49   5.990   9.014  -0.324
  315   HG12  VAL  49          1HG1      VAL  49   7.500   9.781  -0.815
  316   HG13  VAL  49          3HG1      VAL  49   5.971  10.316  -1.514
  317   HG21  VAL  49          3HG2      VAL  49   4.740  12.053   1.485
  318   HG22  VAL  49          2HG2      VAL  49   4.323  10.387   1.085
  319   HG23  VAL  49          1HG2      VAL  49   4.374  11.611  -0.183
  320    H    ASN  50           H        ASN  50   8.310   8.417   2.367
  321    HA   ASN  50           HA       ASN  50  10.779   9.446   1.141
  322    HB2  ASN  50           HB2      ASN  50  10.721   7.346   3.311
  323    HB3  ASN  50           HB3      ASN  50  12.079   8.329   2.785
  324   HD21  ASN  50          1HD2      ASN  50  10.871   7.820   5.426
  325   HD22  ASN  50          2HD2      ASN  50  10.544   9.392   6.084
  326    H    HIS  51           H        HIS  51  11.829   6.659   1.696
  327    HA   HIS  51           HA       HIS  51  10.079   4.917   0.273
  328    HB2  HIS  51           HB2      HIS  51  11.550   4.429  -1.639
  329    HB3  HIS  51           HB3      HIS  51  11.021   6.104  -1.650
  330    HD1  HIS  51           HD1      HIS  51  13.889   4.204  -2.346
  331    HD2  HIS  51           HD2      HIS  51  13.249   7.757  -0.280
  332    HE1  HIS  51           HE1      HIS  51  16.113   5.367  -2.299
  333    HE2  HIS  51           HE2      HIS  51  15.756   7.361  -0.799
  334    H    THR  52           H        THR  52  10.290   3.833   2.207
  335    HA   THR  52           HA       THR  52  12.293   1.804   2.277
  336    HB   THR  52           HB       THR  52  12.251   3.797   4.573
  337    HG1  THR  52           HG1      THR  52  13.771   3.657   2.324
  338   HG21  THR  52          3HG2      THR  52  13.874   1.275   4.195
  339   HG22  THR  52          1HG2      THR  52  12.546   1.494   5.337
  340   HG23  THR  52          2HG2      THR  52  14.036   2.416   5.531
  341    HA   PRO  53           HA       PRO  53   8.242   0.327   3.783
  342    HB2  PRO  53           HB2      PRO  53   9.144  -2.291   4.040
  343    HB3  PRO  53           HB3      PRO  53   8.404  -1.604   2.591
  344    HG2  PRO  53           HG2      PRO  53  11.300  -1.973   3.252
  345    HG3  PRO  53           HG3      PRO  53  10.461  -2.222   1.708
  346    HD2  PRO  53           HD2      PRO  53  11.930  -0.037   2.117
  347    HD3  PRO  53           HD3      PRO  53  10.385   0.053   1.238
  348    H    SER  54           H        SER  54   7.465  -0.492   5.756
  349    HA   SER  54           HA       SER  54   9.207  -1.051   7.958
  350    HB2  SER  54           HB2      SER  54   7.723   1.596   7.913
  351    HB3  SER  54           HB3      SER  54   8.568   0.930   9.307
  352    HG   SER  54           HG       SER  54  10.170   1.013   7.116
  353    H    LYS  55           H        LYS  55   8.018  -1.814   9.767
  354    HA   LYS  55           HA       LYS  55   5.543  -3.005   9.223
  355    HB2  LYS  55           HB2      LYS  55   6.965  -3.885  10.970
  356    HB3  LYS  55           HB3      LYS  55   6.878  -2.374  11.865
  357    HG2  LYS  55           HG2      LYS  55   4.468  -2.742  12.213
  358    HG3  LYS  55           HG3      LYS  55   4.599  -4.283  11.368
  359    HD2  LYS  55           HD2      LYS  55   6.136  -3.567  13.860
  360    HD3  LYS  55           HD3      LYS  55   4.625  -4.480  13.848
  361    HE2  LYS  55           HE2      LYS  55   7.143  -5.305  12.407
  362    HE3  LYS  55           HE3      LYS  55   6.661  -5.899  13.995
  363    HZ1  LYS  55           HZ1      LYS  55   4.628  -6.786  12.980
  364    HZ2  LYS  55           HZ2      LYS  55   6.026  -7.456  12.291
  365    HZ3  LYS  55           HZ3      LYS  55   5.159  -6.266  11.454
  366    H    GLY  56           H        GLY  56   3.671  -1.995   8.879
  367    HA2  GLY  56           HA1      GLY  56   1.778  -0.867   9.808
  368    HA3  GLY  56           HA2      GLY  56   2.875   0.112  10.774
  369    H    ALA  57           H        ALA  57   4.310  -0.017   7.876
  370    HA   ALA  57           HA       ALA  57   2.989   2.443   6.951
  371    HB1  ALA  57           HB1      ALA  57   5.383   2.637   7.606
  372    HB2  ALA  57           HB2      ALA  57   5.785   1.518   6.302
  373    HB3  ALA  57           HB3      ALA  57   5.056   3.083   5.931
  374    H    ILE  58           H        ILE  58   4.156   2.425   4.342
  375    HA   ILE  58           HA       ILE  58   2.710   0.141   3.196
  376    HB   ILE  58           HB       ILE  58   2.684   2.598   1.589
  377   HG12  ILE  58          2HG1      ILE  58   2.205   3.369   3.978
  378   HG13  ILE  58          3HG1      ILE  58   0.972   3.707   2.778
  379   HG21  ILE  58          2HG2      ILE  58   0.609   0.533   2.330
  380   HG22  ILE  58          1HG2      ILE  58   1.618   0.513   0.886
  381   HG23  ILE  58          3HG2      ILE  58   0.422   1.787   1.106
  382   HD11  ILE  58          3HD1      ILE  58   0.011   2.962   4.881
  383   HD12  ILE  58          2HD1      ILE  58   0.901   1.445   4.750
  384   HD13  ILE  58          1HD1      ILE  58  -0.348   1.841   3.568
  385    H    LEU  59           H        LEU  59   3.121   0.348   0.636
  386    HA   LEU  59           HA       LEU  59   5.949   0.771   0.047
  387    HB2  LEU  59           HB2      LEU  59   5.513  -1.607   0.808
  388    HB3  LEU  59           HB3      LEU  59   4.458  -1.786  -0.578
  389    HG   LEU  59           HG       LEU  59   6.678  -0.972  -1.823
  390   HD11  LEU  59          2HD1      LEU  59   7.974  -0.789   0.224
  391   HD12  LEU  59          1HD1      LEU  59   8.616  -2.062  -0.815
  392   HD13  LEU  59          3HD1      LEU  59   7.646  -2.481   0.598
  393   HD21  LEU  59          3HD2      LEU  59   6.044  -3.785  -0.951
  394   HD22  LEU  59          2HD2      LEU  59   7.088  -3.338  -2.302
  395   HD23  LEU  59          1HD2      LEU  59   5.370  -2.943  -2.348
  396    H    GLN  60           H        GLN  60   6.046   1.837  -1.913
  397    HA   GLN  60           HA       GLN  60   3.753   1.543  -3.735
  398    HB2  GLN  60           HB2      GLN  60   3.434   3.489  -2.207
  399    HB3  GLN  60           HB3      GLN  60   4.911   4.192  -2.843
  400    HG2  GLN  60           HG2      GLN  60   2.689   3.486  -4.700
  401    HG3  GLN  60           HG3      GLN  60   2.591   4.949  -3.728
  402   HE21  GLN  60          1HE2      GLN  60   2.705   4.717  -6.582
  403   HE22  GLN  60          2HE2      GLN  60   4.123   5.568  -7.104
  404    H    SER  61           H        SER  61   4.208   1.512  -5.800
  405    HA   SER  61           HA       SER  61   6.821   2.487  -6.741
  406    HB2  SER  61           HB2      SER  61   6.909   0.069  -6.798
  407    HB3  SER  61           HB3      SER  61   5.325  -0.014  -7.566
  408    HG   SER  61           HG       SER  61   7.763   0.955  -8.673
  409    H    SER  62           H        SER  62   6.756   3.712  -8.594
  410    HA   SER  62           HA       SER  62   4.099   4.149  -9.792
  411    HB2  SER  62           HB2      SER  62   6.504   5.967 -10.022
  412    HB3  SER  62           HB3      SER  62   4.821   6.348 -10.390
  413    HG   SER  62           HG       SER  62   6.133   6.197  -7.935
  414    H    GLU  63           H        GLU  63   6.526   2.226 -10.228
  415    HA   GLU  63           HA       GLU  63   7.248   2.842 -12.969
  416    HB2  GLU  63           HB2      GLU  63   8.100   0.548 -11.184
  417    HB3  GLU  63           HB3      GLU  63   8.764   0.901 -12.770
  418    HG2  GLU  63           HG2      GLU  63  10.330   1.727 -11.254
  419    HG3  GLU  63           HG3      GLU  63   9.461   3.147 -11.826
  420    H    GLY  64           H        GLY  64   4.551   1.810 -11.914
  421    HA2  GLY  64           HA1      GLY  64   4.284  -0.422 -13.830
  422    HA3  GLY  64           HA2      GLY  64   3.401  -0.368 -12.309
  423    HA   PRO  65           HA       PRO  65   1.092   1.563 -16.026
  424    HB2  PRO  65           HB2      PRO  65  -1.107  -0.082 -15.843
  425    HB3  PRO  65           HB3      PRO  65   0.269  -0.373 -16.911
  426    HG2  PRO  65           HG2      PRO  65  -0.349  -1.564 -14.243
  427    HG3  PRO  65           HG3      PRO  65   0.336  -2.336 -15.684
  428    HD2  PRO  65           HD2      PRO  65   1.854  -1.613 -13.574
  429    HD3  PRO  65           HD3      PRO  65   2.468  -1.562 -15.241
  430    H    PHE  66           H        PHE  66  -0.289   0.223 -13.046
  431    HA   PHE  66           HA       PHE  66  -1.545   2.838 -12.560
  432    HB2  PHE  66           HB2      PHE  66  -2.548   0.070 -11.870
  433    HB3  PHE  66           HB3      PHE  66  -3.197   1.527 -11.127
  434    HD1  PHE  66           HD2      PHE  66  -4.423   3.164 -12.480
  435    HD2  PHE  66           HD1      PHE  66  -3.123  -0.550 -14.095
  436    HE1  PHE  66           HE2      PHE  66  -5.980   3.444 -14.362
  437    HE2  PHE  66           HE1      PHE  66  -4.679  -0.277 -15.983
  438    HZ   PHE  66           HZ       PHE  66  -6.109   1.722 -16.118
  439    H    GLY  67           H        GLY  67   1.097   1.563 -11.891
  440    HA2  GLY  67           HA1      GLY  67   2.559   2.051 -10.154
  441    HA3  GLY  67           HA2      GLY  67   1.187   2.549  -9.174
  442    H    HIS  68           H        HIS  68   2.127   1.428  -7.418
  443    HA   HIS  68           HA       HIS  68   1.167  -1.268  -7.162
  444    HB2  HIS  68           HB2      HIS  68   3.437  -1.515  -8.299
  445    HB3  HIS  68           HB3      HIS  68   4.148  -0.827  -6.833
  446    HD1  HIS  68           HD1      HIS  68   3.515  -3.980  -8.333
  447    HD2  HIS  68           HD2      HIS  68   3.224  -2.520  -4.453
  448    HE1  HIS  68           HE1      HIS  68   3.546  -6.005  -6.841
  449    HE2  HIS  68           HE2      HIS  68   3.058  -5.104  -4.537
  450    H    VAL  69           H        VAL  69   0.035  -0.566  -5.272
  451    HA   VAL  69           HA       VAL  69   1.861   0.190  -3.107
  452    HB   VAL  69           HB       VAL  69  -0.040   1.173  -1.945
  453   HG11  VAL  69          2HG1      VAL  69   0.297   2.135  -4.778
  454   HG12  VAL  69          1HG1      VAL  69   1.351   2.521  -3.417
  455   HG13  VAL  69          3HG1      VAL  69  -0.319   3.091  -3.430
  456   HG21  VAL  69          3HG2      VAL  69  -2.186   1.485  -3.090
  457   HG22  VAL  69          2HG2      VAL  69  -1.835  -0.227  -2.844
  458   HG23  VAL  69          1HG2      VAL  69  -1.610   0.499  -4.434
  459    H    ALA  70           H        ALA  70   2.097  -1.037  -1.445
  460    HA   ALA  70           HA       ALA  70   0.158  -3.156  -0.849
  461    HB1  ALA  70           HB1      ALA  70   2.005  -4.734  -0.474
  462    HB2  ALA  70           HB2      ALA  70   1.931  -4.201  -2.155
  463    HB3  ALA  70           HB3      ALA  70   3.144  -3.526  -1.069
  464    H    TYR  71           H        TYR  71  -0.271  -3.252   1.292
  465    HA   TYR  71           HA       TYR  71   0.987  -1.347   3.013
  466    HB2  TYR  71           HB2      TYR  71  -1.342  -1.725   3.346
  467    HB3  TYR  71           HB3      TYR  71  -1.106  -3.470   3.480
  468    HD1  TYR  71           HD2      TYR  71  -0.489  -0.240   5.175
  469    HD2  TYR  71           HD1      TYR  71  -0.582  -4.479   5.537
  470    HE1  TYR  71           HE2      TYR  71  -0.271  -0.024   7.611
  471    HE2  TYR  71           HE1      TYR  71  -0.362  -4.273   7.987
  472    HH   TYR  71           HH       TYR  71  -0.567  -1.165   9.598
  473    H    VAL  72           H        VAL  72   2.584  -1.647   4.454
  474    HA   VAL  72           HA       VAL  72   3.984  -4.207   4.313
  475    HB   VAL  72           HB       VAL  72   4.901  -1.633   5.601
  476   HG11  VAL  72          2HG1      VAL  72   7.146  -2.618   5.320
  477   HG12  VAL  72          1HG1      VAL  72   6.396  -4.107   4.747
  478   HG13  VAL  72          3HG1      VAL  72   6.114  -3.555   6.401
  479   HG21  VAL  72          3HG2      VAL  72   5.404  -2.646   2.806
  480   HG22  VAL  72          2HG2      VAL  72   6.183  -1.245   3.543
  481   HG23  VAL  72          1HG2      VAL  72   4.440  -1.233   3.254
  482    H    GLU  73           H        GLU  73   3.666  -5.668   5.854
  483    HA   GLU  73           HA       GLU  73   2.578  -4.791   8.413
  484    HB2  GLU  73           HB2      GLU  73   2.911  -7.575   7.287
  485    HB3  GLU  73           HB3      GLU  73   2.147  -7.186   8.824
  486    HG2  GLU  73           HG2      GLU  73   0.557  -5.729   7.465
  487    HG3  GLU  73           HG3      GLU  73   1.193  -6.570   6.053
  488    H    SER  74           H        SER  74   5.486  -6.138   7.032
  489    HA   SER  74           HA       SER  74   6.921  -5.770   9.496
  490    HB2  SER  74           HB2      SER  74   6.603  -8.590   8.428
  491    HB3  SER  74           HB3      SER  74   7.649  -8.104   9.758
  492    HG   SER  74           HG       SER  74   5.045  -8.743   9.798
  493    H    VAL  75           H        VAL  75   9.024  -5.325   9.059
  494    HA   VAL  75           HA       VAL  75  10.147  -6.367   6.545
  495    HB   VAL  75           HB       VAL  75  11.333  -4.283   8.401
  496   HG11  VAL  75          2HG1      VAL  75  12.213  -5.235   5.669
  497   HG12  VAL  75          1HG1      VAL  75  13.033  -5.559   7.197
  498   HG13  VAL  75          3HG1      VAL  75  12.940  -3.910   6.580
  499   HG21  VAL  75          3HG2      VAL  75   9.349  -3.435   7.275
  500   HG22  VAL  75          2HG2      VAL  75   9.987  -3.967   5.719
  501   HG23  VAL  75          1HG2      VAL  75  10.802  -2.683   6.615
  502    H    ASN  76           H        ASN  76  11.265  -8.167   6.704
  503    HA   ASN  76           HA       ASN  76  11.520  -9.444   9.219
  504    HB2  ASN  76           HB2      ASN  76  12.618 -10.247   6.519
  505    HB3  ASN  76           HB3      ASN  76  12.548 -11.286   7.937
  506   HD21  ASN  76          1HD2      ASN  76  11.324 -11.559   5.298
  507   HD22  ASN  76          2HD2      ASN  76   9.625 -11.745   5.596
  508    H    SER  77           H        SER  77  13.487 -10.372  10.093
  509    HA   SER  77           HA       SER  77  15.442  -8.430  10.586
  510    HB2  SER  77           HB2      SER  77  14.861 -10.248  12.147
  511    HB3  SER  77           HB3      SER  77  15.576 -11.421  11.043
  512    HG   SER  77           HG       SER  77  16.780  -9.715  12.836
  513    H    ASP  78           H        ASP  78  15.292 -10.989   8.208
  514    HA   ASP  78           HA       ASP  78  18.088 -10.924   7.577
  515    HB2  ASP  78           HB2      ASP  78  17.516 -12.398   5.720
  516    HB3  ASP  78           HB3      ASP  78  16.733 -12.941   7.200
  517    H    GLY  79           H        GLY  79  15.379  -9.022   6.652
  518    HA2  GLY  79           HA1      GLY  79  16.078  -6.874   5.604
  519    HA3  GLY  79           HA2      GLY  79  16.983  -7.848   4.455
  520    H    SER  80           H        SER  80  14.669  -9.831   4.491
  521    HA   SER  80           HA       SER  80  13.294  -8.718   2.258
  522    HB2  SER  80           HB2      SER  80  11.906 -10.804   2.404
  523    HB3  SER  80           HB3      SER  80  13.642 -11.095   2.312
  524    HG   SER  80           HG       SER  80  13.678 -11.568   4.488
  525    H    VAL  81           H        VAL  81  11.158  -8.045   2.087
  526    HA   VAL  81           HA       VAL  81   9.964  -7.224   4.649
  527    HB   VAL  81           HB       VAL  81   9.607  -5.989   1.912
  528   HG11  VAL  81          2HG1      VAL  81   8.466  -4.185   3.095
  529   HG12  VAL  81          1HG1      VAL  81   8.644  -5.063   4.614
  530   HG13  VAL  81          3HG1      VAL  81   7.635  -5.724   3.327
  531   HG21  VAL  81          3HG2      VAL  81  10.931  -4.136   2.797
  532   HG22  VAL  81          2HG2      VAL  81  11.852  -5.641   2.804
  533   HG23  VAL  81          1HG2      VAL  81  11.164  -5.021   4.305
  534    H    THR  82           H        THR  82   8.033  -7.983   5.196
  535    HA   THR  82           HA       THR  82   6.541  -9.581   3.260
  536    HB   THR  82           HB       THR  82   6.215  -9.297   6.257
  537    HG1  THR  82           HG1      THR  82   7.243 -11.437   4.658
  538   HG21  THR  82          3HG2      THR  82   4.083  -9.835   5.148
  539   HG22  THR  82          1HG2      THR  82   4.683 -11.199   6.092
  540   HG23  THR  82          2HG2      THR  82   4.855 -11.198   4.337
  541    H    ILE  83           H        ILE  83   5.069  -8.557   2.118
  542    HA   ILE  83           HA       ILE  83   3.668  -6.267   3.331
  543    HB   ILE  83           HB       ILE  83   3.226  -5.507   1.012
  544   HG12  ILE  83          2HG1      ILE  83   5.148  -7.722   0.250
  545   HG13  ILE  83          3HG1      ILE  83   3.420  -7.716  -0.087
  546   HG21  ILE  83          2HG2      ILE  83   5.525  -4.737   0.551
  547   HG22  ILE  83          1HG2      ILE  83   6.128  -5.884   1.749
  548   HG23  ILE  83          3HG2      ILE  83   5.076  -4.559   2.247
  549   HD11  ILE  83          3HD1      ILE  83   5.462  -5.798  -1.181
  550   HD12  ILE  83          2HD1      ILE  83   3.728  -5.736  -1.498
  551   HD13  ILE  83          1HD1      ILE  83   4.677  -7.114  -2.055
  552    H    SER  84           H        SER  84   1.449  -5.961   2.800
  553    HA   SER  84           HA       SER  84   0.059  -8.409   1.948
  554    HB2  SER  84           HB2      SER  84  -0.033  -7.943   4.453
  555    HB3  SER  84           HB3      SER  84  -0.980  -6.510   4.058
  556    HG   SER  84           HG       SER  84  -1.643  -9.226   3.800
  557    H    GLU  85           H        GLU  85  -0.354  -7.753  -0.083
  558    HA   GLU  85           HA       GLU  85  -2.017  -5.348  -0.433
  559    HB2  GLU  85           HB2      GLU  85  -1.201  -5.400  -2.829
  560    HB3  GLU  85           HB3      GLU  85   0.016  -4.990  -1.627
  561    HG2  GLU  85           HG2      GLU  85   0.915  -7.236  -1.724
  562    HG3  GLU  85           HG3      GLU  85  -0.357  -7.719  -2.842
  563    H    MET  86           H        MET  86  -4.086  -6.043  -0.503
  564    HA   MET  86           HA       MET  86  -4.771  -8.616  -1.543
  565    HB2  MET  86           HB2      MET  86  -6.077  -7.627   0.274
  566    HB3  MET  86           HB3      MET  86  -6.553  -6.304  -0.779
  567    HG2  MET  86           HG2      MET  86  -7.769  -7.810  -2.209
  568    HG3  MET  86           HG3      MET  86  -7.211  -9.193  -1.273
  569    HE1  MET  86           HE1      MET  86  -9.112  -8.838   2.078
  570    HE2  MET  86           HE2      MET  86  -8.104  -9.875   1.067
  571    HE3  MET  86           HE3      MET  86  -7.457  -8.360   1.696
  572    H    ASN  87           H        ASN  87  -5.296  -9.165  -3.499
  573    HA   ASN  87           HA       ASN  87  -5.952  -9.141  -5.645
  574    HB2  ASN  87           HB2      ASN  87  -7.920  -7.894  -5.093
  575    HB3  ASN  87           HB3      ASN  87  -7.010  -6.394  -4.957
  576   HD21  ASN  87          1HD2      ASN  87  -8.401  -5.427  -6.472
  577   HD22  ASN  87          2HD2      ASN  87  -8.261  -5.761  -8.162
  578    H    TYR  88           H        TYR  88  -5.273  -5.687  -5.623
  579    HA   TYR  88           HA       TYR  88  -3.950  -4.427  -6.951
  580    HB2  TYR  88           HB2      TYR  88  -2.182  -5.116  -5.489
  581    HB3  TYR  88           HB3      TYR  88  -2.007  -6.652  -6.332
  582    HD1  TYR  88           HD1      TYR  88  -1.955  -3.002  -7.163
  583    HD2  TYR  88           HD2      TYR  88  -0.205  -6.835  -7.757
  584    HE1  TYR  88           HE1      TYR  88  -0.272  -1.999  -8.648
  585    HE2  TYR  88           HE2      TYR  88   1.480  -5.842  -9.246
  586    HH   TYR  88           HH       TYR  88   1.681  -2.349  -9.722
  587    H    SER  89           H        SER  89  -3.211  -7.767  -7.965
  588    HA   SER  89           HA       SER  89  -2.712  -6.797 -10.654
  589    HB2  SER  89           HB2      SER  89  -1.181  -8.341  -9.333
  590    HB3  SER  89           HB3      SER  89  -2.371  -9.609  -9.614
  591    HG   SER  89           HG       SER  89  -1.146  -9.878 -11.328
  592    H    GLY  90           H        GLY  90  -5.529  -7.575  -9.257
  593    HA2  GLY  90           HA1      GLY  90  -7.457  -7.731 -10.673
  594    HA3  GLY  90           HA2      GLY  90  -6.509  -8.670 -11.812
  595    H    GLY  91           H        GLY  91  -5.961  -9.717  -8.635
  596    HA2  GLY  91           HA1      GLY  91  -7.856 -11.925  -9.017
  597    HA3  GLY  91           HA2      GLY  91  -6.473 -11.933  -7.928
  598    HA   PRO  92           HA       PRO  92 -10.489  -9.532  -6.215
  599    HB2  PRO  92           HB2      PRO  92 -12.038 -12.069  -6.393
  600    HB3  PRO  92           HB3      PRO  92 -12.581 -10.398  -6.594
  601    HG2  PRO  92           HG2      PRO  92 -12.264 -11.973  -8.711
  602    HG3  PRO  92           HG3      PRO  92 -11.790 -10.264  -8.772
  603    HD2  PRO  92           HD2      PRO  92 -10.078 -12.702  -8.490
  604    HD3  PRO  92           HD3      PRO  92  -9.778 -11.212  -9.408
  605    H    PHE  93           H        PHE  93  -9.674  -9.402  -4.260
  606    HA   PHE  93           HA       PHE  93  -9.260  -9.802  -2.087
  607    HB2  PHE  93           HB2      PHE  93 -10.979 -12.231  -2.561
  608    HB3  PHE  93           HB3      PHE  93 -10.299 -11.808  -0.991
  609    HD1  PHE  93           HD2      PHE  93 -12.679 -10.788  -3.605
  610    HD2  PHE  93           HD1      PHE  93 -11.209 -10.035   0.318
  611    HE1  PHE  93           HE2      PHE  93 -14.598  -9.310  -3.175
  612    HE2  PHE  93           HE1      PHE  93 -13.127  -8.555   0.756
  613    HZ   PHE  93           HZ       PHE  93 -14.824  -8.192  -0.989
  614    H    SER  94           H        SER  94  -7.756 -11.271  -4.450
  615    HA   SER  94           HA       SER  94  -6.295 -13.296  -3.089
  616    HB2  SER  94           HB2      SER  94  -5.542 -11.569  -5.461
  617    HB3  SER  94           HB3      SER  94  -4.590 -12.942  -4.889
  618    HG   SER  94           HG       SER  94  -6.048 -14.297  -5.680
  619    H    VAL  95           H        VAL  95  -5.869 -12.348  -1.045
  620    HA   VAL  95           HA       VAL  95  -4.459  -9.907  -0.825
  621    HB   VAL  95           HB       VAL  95  -5.743 -10.603   1.066
  622   HG11  VAL  95          2HG1      VAL  95  -5.657 -13.012   0.763
  623   HG12  VAL  95          1HG1      VAL  95  -5.218 -12.565   2.411
  624   HG13  VAL  95          3HG1      VAL  95  -3.964 -13.026   1.260
  625   HG21  VAL  95          3HG2      VAL  95  -2.808 -10.776   1.729
  626   HG22  VAL  95          2HG2      VAL  95  -4.104 -10.420   2.871
  627   HG23  VAL  95          1HG2      VAL  95  -3.753  -9.297   1.557
  628    H    SER  96           H        SER  96  -2.678  -9.863  -2.043
  629    HA   SER  96           HA       SER  96  -0.947 -12.053  -2.419
  630    HB2  SER  96           HB2      SER  96  -1.209 -10.305  -4.107
  631    HB3  SER  96           HB3      SER  96  -0.533  -9.111  -3.001
  632    HG   SER  96           HG       SER  96   1.238  -9.654  -4.012
  633    H    SER  97           H        SER  97   0.049 -12.854  -0.748
  634    HA   SER  97           HA       SER  97   1.423 -11.143   1.163
  635    HB2  SER  97           HB2      SER  97   1.399 -14.171   0.991
  636    HB3  SER  97           HB3      SER  97   1.939 -13.197   2.360
  637    HG   SER  97           HG       SER  97  -0.500 -12.396   1.825
  638    H    ARG  98           H        ARG  98   2.878 -10.168  -0.294
  639    HA   ARG  98           HA       ARG  98   4.693 -11.961  -1.733
  640    HB2  ARG  98           HB2      ARG  98   3.389 -10.173  -2.947
  641    HB3  ARG  98           HB3      ARG  98   4.364  -8.982  -2.097
  642    HG2  ARG  98           HG2      ARG  98   6.379  -9.906  -3.108
  643    HG3  ARG  98           HG3      ARG  98   5.401 -11.107  -3.952
  644    HD2  ARG  98           HD2      ARG  98   4.259  -9.367  -5.182
  645    HD3  ARG  98           HD3      ARG  98   5.120  -8.124  -4.275
  646    HE   ARG  98           HE       ARG  98   7.159  -9.419  -5.348
  647   HH11  ARG  98          2HH1      ARG  98   4.130  -8.453  -6.826
  648   HH12  ARG  98          1HH1      ARG  98   4.827  -8.278  -8.414
  649   HH21  ARG  98          2HH2      ARG  98   8.069  -9.167  -7.443
  650   HH22  ARG  98          1HH2      ARG  98   7.047  -8.674  -8.760
  651    H    THR  99           H        THR  99   6.949 -11.646  -1.683
  652    HA   THR  99           HA       THR  99   7.897 -10.335   0.766
  653    HB   THR  99           HB       THR  99   9.367 -12.386  -0.899
  654    HG1  THR  99           HG1      THR  99   7.365 -13.213  -0.011
  655   HG21  THR  99          3HG2      THR  99   9.718 -11.449   1.952
  656   HG22  THR  99          1HG2      THR  99  10.761 -11.038   0.590
  657   HG23  THR  99          2HG2      THR  99  10.665 -12.706   1.154
  658    H    ILE 100           H        ILE 100   8.729  -8.397   0.414
  659    HA   ILE 100           HA       ILE 100   9.933  -7.727  -2.157
  660    HB   ILE 100           HB       ILE 100   9.456  -6.036   0.305
  661   HG12  ILE 100          2HG1      ILE 100   7.381  -6.639  -0.796
  662   HG13  ILE 100          3HG1      ILE 100   7.739  -4.935  -1.080
  663   HG21  ILE 100          2HG2      ILE 100  10.424  -5.202  -2.424
  664   HG22  ILE 100          1HG2      ILE 100  11.389  -5.243  -0.948
  665   HG23  ILE 100          3HG2      ILE 100  10.037  -4.119  -1.086
  666   HD11  ILE 100          3HD1      ILE 100   8.203  -7.183  -3.032
  667   HD12  ILE 100          2HD1      ILE 100   8.546  -5.476  -3.317
  668   HD13  ILE 100          1HD1      ILE 100   6.883  -6.016  -3.082
  669    H    SER 101           H        SER 101  12.009  -8.316  -2.417
  670    HA   SER 101           HA       SER 101  13.807  -8.549  -0.198
  671    HB2  SER 101           HB2      SER 101  14.036  -9.864  -2.327
  672    HB3  SER 101           HB3      SER 101  14.495  -8.370  -3.143
  673    HG   SER 101           HG       SER 101  16.165  -9.931  -2.121
  674    H    ALA 102           H        ALA 102  15.689  -7.196   0.137
  675    HA   ALA 102           HA       ALA 102  15.207  -4.497   0.350
  676    HB1  ALA 102           HB1      ALA 102  17.921  -5.767   0.019
  677    HB2  ALA 102           HB2      ALA 102  17.560  -4.227   0.798
  678    HB3  ALA 102           HB3      ALA 102  16.995  -5.736   1.523
  679    H    SER 103           H        SER 103  16.474  -6.265  -2.390
  680    HA   SER 103           HA       SER 103  17.530  -4.140  -3.876
  681    HB2  SER 103           HB2      SER 103  16.907  -5.792  -5.833
  682    HB3  SER 103           HB3      SER 103  18.169  -6.212  -4.674
  683    HG   SER 103           HG       SER 103  15.519  -7.180  -4.876
  684    H    GLU 104           H        GLU 104  14.213  -5.342  -3.580
  685    HA   GLU 104           HA       GLU 104  13.290  -3.425  -5.568
  686    HB2  GLU 104           HB2      GLU 104  11.698  -5.299  -3.804
  687    HB3  GLU 104           HB3      GLU 104  11.030  -4.280  -5.066
  688    HG2  GLU 104           HG2      GLU 104  11.148  -6.359  -6.053
  689    HG3  GLU 104           HG3      GLU 104  12.593  -5.541  -6.648
  690    H    ALA 105           H        ALA 105  13.383  -3.870  -2.108
  691    HA   ALA 105           HA       ALA 105  11.519  -1.991  -1.280
  692    HB1  ALA 105           HB1      ALA 105  12.616  -3.583   0.219
  693    HB2  ALA 105           HB2      ALA 105  14.129  -2.691   0.061
  694    HB3  ALA 105           HB3      ALA 105  12.735  -1.932   0.830
  695    H    GLY 106           H        GLY 106  14.801  -1.545  -2.410
  696    HA2  GLY 106           HA1      GLY 106  15.272   1.080  -1.622
  697    HA3  GLY 106           HA2      GLY 106  15.941   0.333  -3.061
  698    H    ASN 107           H        ASN 107  13.526  -0.036  -4.540
  699    HA   ASN 107           HA       ASN 107  13.271   2.715  -5.435
  700    HB2  ASN 107           HB2      ASN 107  12.139   1.795  -7.416
  701    HB3  ASN 107           HB3      ASN 107  13.696   1.030  -7.140
  702   HD21  ASN 107          1HD2      ASN 107  10.229   0.590  -7.126
  703   HD22  ASN 107          2HD2      ASN 107  10.263  -1.133  -7.025
  704    H    TYR 108           H        TYR 108  11.512   0.634  -3.456
  705    HA   TYR 108           HA       TYR 108   8.904   1.640  -4.167
  706    HB2  TYR 108           HB2      TYR 108   9.923  -0.273  -2.112
  707    HB3  TYR 108           HB3      TYR 108   8.303   0.392  -1.955
  708    HD1  TYR 108           HD1      TYR 108   6.833   0.211  -4.151
  709    HD2  TYR 108           HD2      TYR 108  10.185  -2.250  -3.269
  710    HE1  TYR 108           HE1      TYR 108   5.955  -1.517  -5.661
  711    HE2  TYR 108           HE2      TYR 108   9.319  -3.980  -4.780
  712    HH   TYR 108           HH       TYR 108   7.277  -4.689  -5.793
  713    H    ASN 109           H        ASN 109   7.934   3.339  -3.404
  714    HA   ASN 109           HA       ASN 109   9.153   4.934  -1.287
  715    HB2  ASN 109           HB2      ASN 109   6.663   5.508  -2.922
  716    HB3  ASN 109           HB3      ASN 109   7.544   6.659  -1.929
  717   HD21  ASN 109          1HD2      ASN 109   7.331   5.072  -4.949
  718   HD22  ASN 109          2HD2      ASN 109   8.658   5.872  -5.720
  719    H    TYR 110           H        TYR 110   7.565   5.869   0.392
  720    HA   TYR 110           HA       TYR 110   5.155   4.350   0.814
  721    HB2  TYR 110           HB2      TYR 110   5.655   3.461   2.960
  722    HB3  TYR 110           HB3      TYR 110   6.961   2.969   1.898
  723    HD1  TYR 110           HD1      TYR 110   8.593   5.512   1.951
  724    HD2  TYR 110           HD2      TYR 110   6.655   3.337   5.031
  725    HE1  TYR 110           HE1      TYR 110  10.215   6.377   3.576
  726    HE2  TYR 110           HE2      TYR 110   8.261   4.199   6.672
  727    HH   TYR 110           HH       TYR 110  10.546   5.134   6.707
  728    H    ILE 111           H        ILE 111   3.729   5.328   2.347
  729    HA   ILE 111           HA       ILE 111   4.500   8.116   2.845
  730    HB   ILE 111           HB       ILE 111   2.133   8.737   2.389
  731   HG12  ILE 111          2HG1      ILE 111   1.916   5.935   1.273
  732   HG13  ILE 111          3HG1      ILE 111   1.199   6.442   2.792
  733   HG21  ILE 111          2HG2      ILE 111   3.823   9.031   0.673
  734   HG22  ILE 111          1HG2      ILE 111   2.305   8.524  -0.066
  735   HG23  ILE 111          3HG2      ILE 111   3.615   7.361   0.145
  736   HD11  ILE 111          3HD1      ILE 111  -0.178   8.075   1.560
  737   HD12  ILE 111          2HD1      ILE 111  -0.463   6.410   1.046
  738   HD13  ILE 111          1HD1      ILE 111   0.522   7.483   0.050
  739    H    HIS 112           H        HIS 112   4.679   8.418   4.928
  740    HA   HIS 112           HA       HIS 112   2.656   7.205   6.681
  741    HB2  HIS 112           HB2      HIS 112   4.340   6.718   8.370
  742    HB3  HIS 112           HB3      HIS 112   4.759   5.909   6.868
  743    HD1  HIS 112           HD1      HIS 112   6.003   8.282   9.366
  744    HD2  HIS 112           HD2      HIS 112   7.046   7.084   5.506
  745    HE1  HIS 112           HE1      HIS 112   8.343   9.129   8.996
  746    HE2  HIS 112           HE2      HIS 112   9.019   8.200   6.760
  747    H    ILE 113           H        ILE 113   1.998   8.476   8.405
  748    HA   ILE 113           HA       ILE 113   1.918  11.206   7.944
  749    HB   ILE 113           HB       ILE 113   1.108  11.217  10.408
  750   HG12  ILE 113          2HG1      ILE 113   1.167   8.257   9.817
  751   HG13  ILE 113          3HG1      ILE 113   2.084   9.081  11.072
  752   HG21  ILE 113          2HG2      ILE 113  -0.356  11.441   8.500
  753   HG22  ILE 113          1HG2      ILE 113  -1.085  10.360   9.689
  754   HG23  ILE 113          3HG2      ILE 113  -0.322   9.697   8.244
  755   HD11  ILE 113          3HD1      ILE 113   0.177   7.915  12.001
  756   HD12  ILE 113          2HD1      ILE 113  -0.910   8.819  10.946
  757   HD13  ILE 113          1HD1      ILE 113  -0.001   9.658  12.205
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1 -31.053  -5.255  13.655
    2    H2   GLY   1           H2       GLY   1 -31.903  -4.669  14.998
    3    H3   GLY   1           H3       GLY   1 -30.264  -5.092  15.147
    4    HA2  GLY   1           HA2      GLY   1 -31.374  -2.849  13.551
    5    HA3  GLY   1           HA1      GLY   1 -30.476  -2.712  15.059
    6    H    SER   2           H        SER   2 -29.899  -1.640  12.365
    7    HA   SER   2           HA       SER   2 -27.538  -3.128  11.556
    8    HB2  SER   2           HB2      SER   2 -29.086  -2.030   9.893
    9    HB3  SER   2           HB3      SER   2 -28.532  -0.469  10.500
   10    HG   SER   2           HG       SER   2 -26.508  -2.221   9.826
   11    H    SER   3           H        SER   3 -25.876  -2.934  12.902
   12    HA   SER   3           HA       SER   3 -25.409  -0.545  14.429
   13    HB2  SER   3           HB2      SER   3 -23.681  -3.010  14.138
   14    HB3  SER   3           HB3      SER   3 -23.562  -1.788  15.406
   15    HG   SER   3           HG       SER   3 -24.989  -3.963  15.478
   16    H    ILE   4           H        ILE   4 -24.162  -1.966  11.484
   17    HA   ILE   4           HA       ILE   4 -22.056   0.074  11.420
   18    HB   ILE   4           HB       ILE   4 -21.107  -1.199   9.510
   19   HG12  ILE   4          2HG1      ILE   4 -23.164  -3.289  10.257
   20   HG13  ILE   4          3HG1      ILE   4 -23.214  -2.311   8.795
   21   HG21  ILE   4          2HG2      ILE   4 -20.225  -3.037  10.877
   22   HG22  ILE   4          1HG2      ILE   4 -21.486  -2.741  12.073
   23   HG23  ILE   4          3HG2      ILE   4 -20.261  -1.511  11.761
   24   HD11  ILE   4          3HD1      ILE   4 -22.357  -4.528   8.332
   25   HD12  ILE   4          2HD1      ILE   4 -21.076  -4.299   9.522
   26   HD13  ILE   4          1HD1      ILE   4 -21.109  -3.311   8.062
   27    H    SER   5           H        SER   5 -22.151   1.741  10.118
   28    HA   SER   5           HA       SER   5 -24.135   1.729   7.942
   29    HB2  SER   5           HB2      SER   5 -23.356   4.106   9.654
   30    HB3  SER   5           HB3      SER   5 -24.561   4.094   8.366
   31    HG   SER   5           HG       SER   5 -25.732   2.532   9.635
   32    H    HIS   6           H        HIS   6 -21.183   3.293   9.173
   33    HA   HIS   6           HA       HIS   6 -20.218   3.577   6.418
   34    HB2  HIS   6           HB2      HIS   6 -19.143   4.606   9.054
   35    HB3  HIS   6           HB3      HIS   6 -18.258   4.740   7.539
   36    HD1  HIS   6           HD1      HIS   6 -18.860   6.637   6.012
   37    HD2  HIS   6           HD2      HIS   6 -21.560   6.163   9.135
   38    HE1  HIS   6           HE1      HIS   6 -20.340   8.672   5.945
   39    HE2  HIS   6           HE2      HIS   6 -21.797   8.465   7.993
   40    H    SER   7           H        SER   7 -19.229   1.842   5.607
   41    HA   SER   7           HA       SER   7 -18.288  -0.306   7.158
   42    HB2  SER   7           HB2      SER   7 -18.958  -0.331   4.696
   43    HB3  SER   7           HB3      SER   7 -17.368   0.344   4.351
   44    HG   SER   7           HG       SER   7 -18.100  -2.214   5.103
   45    H    GLY   8           H        GLY   8 -16.682   2.509   5.768
   46    HA2  GLY   8           HA1      GLY   8 -14.940   3.356   7.397
   47    HA3  GLY   8           HA2      GLY   8 -14.241   1.751   7.247
   48    H    ASN   9           H        ASN   9 -14.736   1.500   4.422
   49    HA   ASN   9           HA       ASN   9 -12.609   3.311   3.490
   50    HB2  ASN   9           HB2      ASN   9 -12.190   0.782   3.616
   51    HB3  ASN   9           HB3      ASN   9 -13.318   0.641   2.273
   52   HD21  ASN   9          1HD2      ASN   9 -10.511  -0.033   2.406
   53   HD22  ASN   9          2HD2      ASN   9  -9.738   0.880   1.154
   54    H    LEU  10           H        LEU  10 -12.790   4.281   1.468
   55    HA   LEU  10           HA       LEU  10 -15.506   4.631   0.491
   56    HB2  LEU  10           HB2      LEU  10 -12.915   5.887  -0.394
   57    HB3  LEU  10           HB3      LEU  10 -14.518   6.391  -0.902
   58    HG   LEU  10           HG       LEU  10 -13.387   6.594   1.892
   59   HD11  LEU  10          2HD1      LEU  10 -14.076   8.720  -0.131
   60   HD12  LEU  10          1HD1      LEU  10 -12.451   8.219   0.336
   61   HD13  LEU  10          3HD1      LEU  10 -13.505   8.997   1.515
   62   HD21  LEU  10          3HD2      LEU  10 -15.457   7.804   2.426
   63   HD22  LEU  10          2HD2      LEU  10 -15.773   6.129   1.974
   64   HD23  LEU  10          1HD2      LEU  10 -16.086   7.428   0.822
   65    H    TYR  11           H        TYR  11 -12.717   2.819  -0.266
   66    HA   TYR  11           HA       TYR  11 -13.018   2.693  -3.088
   67    HB2  TYR  11           HB2      TYR  11 -11.392   1.258  -1.046
   68    HB3  TYR  11           HB3      TYR  11 -11.516   0.575  -2.656
   69    HD1  TYR  11           HD1      TYR  11 -10.863   2.064  -4.625
   70    HD2  TYR  11           HD2      TYR  11  -9.858   2.954  -0.589
   71    HE1  TYR  11           HE1      TYR  11  -9.059   3.531  -5.410
   72    HE2  TYR  11           HE2      TYR  11  -8.052   4.434  -1.361
   73    HH   TYR  11           HH       TYR  11  -7.748   5.496  -4.529
   74    H    THR  12           H        THR  12 -12.950   0.248  -3.943
   75    HA   THR  12           HA       THR  12 -15.673  -0.535  -3.813
   76    HB   THR  12           HB       THR  12 -13.330  -1.891  -5.161
   77    HG1  THR  12           HG1      THR  12 -14.586   0.427  -5.648
   78   HG21  THR  12          3HG2      THR  12 -15.281  -3.375  -4.945
   79   HG22  THR  12          1HG2      THR  12 -14.981  -2.920  -6.622
   80   HG23  THR  12          2HG2      THR  12 -16.288  -2.151  -5.718
   81    H    ALA  13           H        ALA  13 -13.158  -3.003  -3.699
   82    HA   ALA  13           HA       ALA  13 -13.510  -3.877  -1.072
   83    HB1  ALA  13           HB1      ALA  13 -15.818  -4.347  -1.810
   84    HB2  ALA  13           HB2      ALA  13 -15.182  -5.400  -3.073
   85    HB3  ALA  13           HB3      ALA  13 -14.946  -5.817  -1.375
   86    H    GLY  14           H        GLY  14 -11.732  -5.005  -0.690
   87    HA2  GLY  14           HA1      GLY  14 -10.048  -6.543  -0.914
   88    HA3  GLY  14           HA2      GLY  14 -10.990  -7.280  -2.201
   89    H    GLN  15           H        GLN  15 -10.045  -3.936  -2.387
   90    HA   GLN  15           HA       GLN  15  -8.324  -4.621  -4.650
   91    HB2  GLN  15           HB2      GLN  15  -9.322  -1.902  -3.778
   92    HB3  GLN  15           HB3      GLN  15  -8.456  -2.260  -5.266
   93    HG2  GLN  15           HG2      GLN  15 -10.445  -3.900  -5.679
   94    HG3  GLN  15           HG3      GLN  15 -11.278  -2.857  -4.522
   95   HE21  GLN  15          1HE2      GLN  15  -9.938  -3.149  -7.671
   96   HE22  GLN  15          2HE2      GLN  15 -10.511  -1.656  -8.309
   97    H    CYS  16           H        CYS  16  -6.243  -3.589  -4.874
   98    HA   CYS  16           HA       CYS  16  -4.536  -3.870  -2.754
   99    HB2  CYS  16           HB2      CYS  16  -4.153  -1.981  -5.084
  100    HB3  CYS  16           HB3      CYS  16  -2.883  -2.695  -4.096
  101    HG   CYS  16           HG       CYS  16  -2.725  -4.992  -5.290
  102    H    THR  17           H        THR  17  -5.820  -0.776  -4.006
  103    HA   THR  17           HA       THR  17  -4.615   0.729  -1.890
  104    HB   THR  17           HB       THR  17  -5.969   2.632  -2.852
  105    HG1  THR  17           HG1      THR  17  -7.159   2.199  -4.724
  106   HG21  THR  17          3HG2      THR  17  -4.731   2.750  -4.950
  107   HG22  THR  17          1HG2      THR  17  -4.363   1.027  -4.846
  108   HG23  THR  17          2HG2      THR  17  -3.701   2.145  -3.653
  109    H    TRP  18           H        TRP  18  -7.551  -0.975  -2.359
  110    HA   TRP  18           HA       TRP  18  -9.099   0.307  -0.335
  111    HB2  TRP  18           HB2      TRP  18 -10.155  -1.002  -2.118
  112    HB3  TRP  18           HB3      TRP  18  -9.336  -2.454  -1.559
  113    HD1  TRP  18           HD1      TRP  18 -12.317  -0.211  -0.809
  114    HE1  TRP  18           HE1      TRP  18 -13.811  -1.373   0.931
  115    HE3  TRP  18           HE3      TRP  18  -9.239  -4.089   0.485
  116    HZ2  TRP  18           HZ2      TRP  18 -13.712  -3.611   2.629
  117    HZ3  TRP  18           HZ3      TRP  18 -10.021  -5.689   2.177
  118    HH2  TRP  18           HH2      TRP  18 -12.206  -5.457   3.228
  119    H    TYR  19           H        TYR  19  -7.253  -2.739  -0.499
  120    HA   TYR  19           HA       TYR  19  -7.678  -3.563   2.133
  121    HB2  TYR  19           HB2      TYR  19  -6.699  -4.926   0.250
  122    HB3  TYR  19           HB3      TYR  19  -5.180  -4.074   0.507
  123    HD1  TYR  19           HD2      TYR  19  -7.629  -6.345   2.116
  124    HD2  TYR  19           HD1      TYR  19  -3.680  -4.761   2.202
  125    HE1  TYR  19           HE2      TYR  19  -7.010  -7.992   3.834
  126    HE2  TYR  19           HE1      TYR  19  -3.054  -6.403   3.922
  127    HH   TYR  19           HH       TYR  19  -4.915  -9.098   4.671
  128    H    VAL  20           H        VAL  20  -5.092  -1.572   0.757
  129    HA   VAL  20           HA       VAL  20  -3.560  -1.250   3.070
  130    HB   VAL  20           HB       VAL  20  -3.960   0.700   0.794
  131   HG11  VAL  20          2HG1      VAL  20  -1.781   0.610   2.879
  132   HG12  VAL  20          1HG1      VAL  20  -3.067   1.813   2.787
  133   HG13  VAL  20          3HG1      VAL  20  -1.858   1.714   1.505
  134   HG21  VAL  20          3HG2      VAL  20  -1.814  -1.360   1.292
  135   HG22  VAL  20          2HG2      VAL  20  -1.854  -0.218  -0.051
  136   HG23  VAL  20          1HG2      VAL  20  -3.092  -1.468   0.082
  137    H    TYR  21           H        TYR  21  -6.230   0.754   1.842
  138    HA   TYR  21           HA       TYR  21  -6.091   2.701   3.879
  139    HB2  TYR  21           HB2      TYR  21  -7.243   2.956   1.648
  140    HB3  TYR  21           HB3      TYR  21  -8.550   1.964   2.284
  141    HD1  TYR  21           HD1      TYR  21  -6.614   5.033   3.123
  142    HD2  TYR  21           HD2      TYR  21 -10.351   3.009   3.279
  143    HE1  TYR  21           HE1      TYR  21  -7.650   7.040   4.075
  144    HE2  TYR  21           HE2      TYR  21 -11.403   5.013   4.229
  145    HH   TYR  21           HH       TYR  21 -10.812   7.029   5.422
  146    H    ASP  22           H        ASP  22  -7.807  -0.352   3.615
  147    HA   ASP  22           HA       ASP  22  -9.424   0.016   5.933
  148    HB2  ASP  22           HB2      ASP  22 -10.018  -1.628   4.210
  149    HB3  ASP  22           HB3      ASP  22  -8.555  -2.543   4.568
  150    H    LYS  23           H        LYS  23  -6.314  -1.551   5.321
  151    HA   LYS  23           HA       LYS  23  -5.955  -2.660   7.878
  152    HB2  LYS  23           HB2      LYS  23  -3.944  -1.833   5.788
  153    HB3  LYS  23           HB3      LYS  23  -3.522  -2.715   7.249
  154    HG2  LYS  23           HG2      LYS  23  -5.526  -3.711   5.246
  155    HG3  LYS  23           HG3      LYS  23  -3.806  -4.098   5.176
  156    HD2  LYS  23           HD2      LYS  23  -5.463  -4.622   7.629
  157    HD3  LYS  23           HD3      LYS  23  -5.349  -5.789   6.310
  158    HE2  LYS  23           HE2      LYS  23  -2.908  -5.826   6.569
  159    HE3  LYS  23           HE3      LYS  23  -3.037  -4.674   7.898
  160    HZ1  LYS  23           HZ1      LYS  23  -4.382  -7.317   7.929
  161    HZ2  LYS  23           HZ2      LYS  23  -4.131  -6.258   9.230
  162    HZ3  LYS  23           HZ3      LYS  23  -2.813  -7.077   8.533
  163    H    VAL  24           H        VAL  24  -5.160   0.545   6.615
  164    HA   VAL  24           HA       VAL  24  -3.757   1.269   9.038
  165    HB   VAL  24           HB       VAL  24  -3.570   3.513   8.081
  166   HG11  VAL  24          2HG1      VAL  24  -2.245   2.938   6.096
  167   HG12  VAL  24          1HG1      VAL  24  -2.936   1.316   6.119
  168   HG13  VAL  24          3HG1      VAL  24  -1.916   1.859   7.452
  169   HG21  VAL  24          3HG2      VAL  24  -4.415   3.972   5.816
  170   HG22  VAL  24          2HG2      VAL  24  -5.714   3.697   6.976
  171   HG23  VAL  24          1HG2      VAL  24  -5.265   2.426   5.839
  172    H    GLY  25           H        GLY  25  -6.957   0.933   8.267
  173    HA2  GLY  25           HA1      GLY  25  -8.785   1.307   9.633
  174    HA3  GLY  25           HA2      GLY  25  -7.742   2.206  10.723
  175    H    GLY  26           H        GLY  26  -7.874   3.041   7.349
  176    HA2  GLY  26           HA1      GLY  26  -8.765   4.852   6.246
  177    HA3  GLY  26           HA2      GLY  26  -9.941   4.988   7.544
  178    H    GLU  27           H        GLU  27  -6.866   4.990   8.804
  179    HA   GLU  27           HA       GLU  27  -7.039   7.674   9.688
  180    HB2  GLU  27           HB2      GLU  27  -5.985   5.911  11.004
  181    HB3  GLU  27           HB3      GLU  27  -4.756   5.695   9.770
  182    HG2  GLU  27           HG2      GLU  27  -3.759   7.773  10.259
  183    HG3  GLU  27           HG3      GLU  27  -5.133   8.278  11.246
  184    H    ILE  28           H        ILE  28  -5.474   6.105   7.031
  185    HA   ILE  28           HA       ILE  28  -4.604   8.690   6.007
  186    HB   ILE  28           HB       ILE  28  -2.463   8.244   6.500
  187   HG12  ILE  28          2HG1      ILE  28  -2.837   7.405   3.996
  188   HG13  ILE  28          3HG1      ILE  28  -1.256   7.332   4.776
  189   HG21  ILE  28          2HG2      ILE  28  -3.201   5.355   6.900
  190   HG22  ILE  28          1HG2      ILE  28  -3.028   6.593   8.145
  191   HG23  ILE  28          3HG2      ILE  28  -1.616   6.049   7.239
  192   HD11  ILE  28          3HD1      ILE  28  -1.759   5.279   3.562
  193   HD12  ILE  28          2HD1      ILE  28  -3.224   5.055   4.522
  194   HD13  ILE  28          1HD1      ILE  28  -1.638   4.968   5.294
  195    H    GLY  29           H        GLY  29  -5.287   8.933   3.952
  196    HA2  GLY  29           HA1      GLY  29  -4.646   7.721   1.767
  197    HA3  GLY  29           HA2      GLY  29  -5.722   6.481   2.386
  198    H    SER  30           H        SER  30  -6.967   6.664   0.521
  199    HA   SER  30           HA       SER  30  -8.773   7.255  -0.675
  200    HB2  SER  30           HB2      SER  30  -9.254   9.214   1.574
  201    HB3  SER  30           HB3      SER  30 -10.389   8.917   0.258
  202    HG   SER  30           HG       SER  30 -10.181   7.584   2.499
  203    H    THR  31           H        THR  31  -7.329  10.275   0.584
  204    HA   THR  31           HA       THR  31  -7.843  11.647  -1.889
  205    HB   THR  31           HB       THR  31  -6.445  13.467  -0.786
  206    HG1  THR  31           HG1      THR  31  -6.142  13.122   1.511
  207   HG21  THR  31          3HG2      THR  31  -8.865  12.408   0.683
  208   HG22  THR  31          1HG2      THR  31  -8.885  13.478  -0.718
  209   HG23  THR  31          2HG2      THR  31  -8.224  14.046   0.815
  210    H    TRP  32           H        TRP  32  -5.593   9.393  -1.084
  211    HA   TRP  32           HA       TRP  32  -3.259  10.545  -2.274
  212    HB2  TRP  32           HB2      TRP  32  -2.305   8.278  -2.118
  213    HB3  TRP  32           HB3      TRP  32  -3.011   8.809  -0.596
  214    HD1  TRP  32           HD1      TRP  32  -5.164   7.392  -3.411
  215    HE1  TRP  32           HE1      TRP  32  -6.189   5.194  -2.654
  216    HE3  TRP  32           HE3      TRP  32  -2.649   6.843   0.998
  217    HZ2  TRP  32           HZ2      TRP  32  -5.965   3.409  -0.458
  218    HZ3  TRP  32           HZ3      TRP  32  -3.116   4.845   2.372
  219    HH2  TRP  32           HH2      TRP  32  -4.739   3.171   1.658
  220    H    GLY  33           H        GLY  33  -6.113   9.451  -3.600
  221    HA2  GLY  33           HA1      GLY  33  -6.582   9.467  -5.917
  222    HA3  GLY  33           HA2      GLY  33  -4.853   9.326  -6.216
  223    H    ASN  34           H        ASN  34  -4.080   7.502  -6.813
  224    HA   ASN  34           HA       ASN  34  -5.218   5.014  -5.849
  225    HB2  ASN  34           HB2      ASN  34  -5.245   5.876  -8.676
  226    HB3  ASN  34           HB3      ASN  34  -4.586   4.269  -8.396
  227   HD21  ASN  34          1HD2      ASN  34  -7.416   6.290  -8.147
  228   HD22  ASN  34          2HD2      ASN  34  -8.550   5.002  -7.906
  229    H    ALA  35           H        ALA  35  -3.547   3.306  -7.242
  230    HA   ALA  35           HA       ALA  35  -1.434   3.270  -5.491
  231    HB1  ALA  35           HB1      ALA  35  -1.518   1.986  -8.210
  232    HB2  ALA  35           HB2      ALA  35  -0.491   1.509  -6.858
  233    HB3  ALA  35           HB3      ALA  35  -2.242   1.333  -6.740
  234    H    ASN  36           H        ASN  36  -1.174   4.203  -8.955
  235    HA   ASN  36           HA       ASN  36   1.608   4.869  -8.638
  236    HB2  ASN  36           HB2      ASN  36   0.466   3.946 -10.726
  237    HB3  ASN  36           HB3      ASN  36  -0.151   5.574 -10.984
  238   HD21  ASN  36          1HD2      ASN  36   0.927   5.813 -12.893
  239   HD22  ASN  36          2HD2      ASN  36   2.639   5.999 -12.988
  240    H    ASN  37           H        ASN  37  -1.160   6.503  -7.842
  241    HA   ASN  37           HA       ASN  37  -0.067   9.150  -8.476
  242    HB2  ASN  37           HB2      ASN  37  -2.477   8.533  -9.016
  243    HB3  ASN  37           HB3      ASN  37  -2.772   8.521  -7.282
  244   HD21  ASN  37          1HD2      ASN  37  -2.869  10.458  -6.170
  245   HD22  ASN  37          2HD2      ASN  37  -2.927  11.994  -6.973
  246    H    TRP  38           H        TRP  38   0.138   6.922  -6.140
  247    HA   TRP  38           HA       TRP  38  -0.594   8.028  -3.740
  248    HB2  TRP  38           HB2      TRP  38   1.199   5.909  -4.617
  249    HB3  TRP  38           HB3      TRP  38   1.700   6.660  -3.096
  250    HD1  TRP  38           HD1      TRP  38  -1.932   5.902  -4.261
  251    HE1  TRP  38           HE1      TRP  38  -3.013   4.470  -2.459
  252    HE3  TRP  38           HE3      TRP  38   2.132   5.254  -1.258
  253    HZ2  TRP  38           HZ2      TRP  38  -2.221   3.210  -0.002
  254    HZ3  TRP  38           HZ3      TRP  38   1.904   3.924   0.781
  255    HH2  TRP  38           HH2      TRP  38  -0.226   2.910   1.389
  256    H    ALA  39           H        ALA  39   2.790   7.999  -4.867
  257    HA   ALA  39           HA       ALA  39   3.791   9.457  -2.741
  258    HB1  ALA  39           HB1      ALA  39   4.883   9.388  -5.553
  259    HB2  ALA  39           HB2      ALA  39   5.777   9.825  -4.096
  260    HB3  ALA  39           HB3      ALA  39   5.178   8.179  -4.303
  261    H    ALA  40           H        ALA  40   2.202  10.636  -5.611
  262    HA   ALA  40           HA       ALA  40   3.010  13.368  -5.253
  263    HB1  ALA  40           HB1      ALA  40   1.423  13.853  -7.034
  264    HB2  ALA  40           HB2      ALA  40   2.431  12.469  -7.462
  265    HB3  ALA  40           HB3      ALA  40   0.772  12.219  -6.916
  266    H    ALA  41           H        ALA  41  -0.100  11.645  -4.848
  267    HA   ALA  41           HA       ALA  41  -1.431  13.918  -3.755
  268    HB1  ALA  41           HB1      ALA  41  -2.605  12.142  -4.973
  269    HB2  ALA  41           HB2      ALA  41  -2.247  11.010  -3.666
  270    HB3  ALA  41           HB3      ALA  41  -3.289  12.404  -3.370
  271    H    ALA  42           H        ALA  42   0.047  11.048  -2.364
  272    HA   ALA  42           HA       ALA  42  -0.766  11.248   0.287
  273    HB1  ALA  42           HB1      ALA  42   1.482  10.157   0.742
  274    HB2  ALA  42           HB2      ALA  42   0.413   9.332  -0.398
  275    HB3  ALA  42           HB3      ALA  42   1.772  10.281  -0.991
  276    H    GLN  43           H        GLN  43   2.130  12.648  -1.258
  277    HA   GLN  43           HA       GLN  43   3.044  14.054   1.000
  278    HB2  GLN  43           HB2      GLN  43   3.493  14.396  -1.951
  279    HB3  GLN  43           HB3      GLN  43   4.220  15.485  -0.779
  280    HG2  GLN  43           HG2      GLN  43   5.356  13.590   0.262
  281    HG3  GLN  43           HG3      GLN  43   4.631  12.509  -0.936
  282   HE21  GLN  43          1HE2      GLN  43   7.455  13.178  -0.378
  283   HE22  GLN  43          2HE2      GLN  43   8.096  13.715  -1.897
  284    H    GLY  44           H        GLY  44   0.760  14.883  -1.539
  285    HA2  GLY  44           HA1      GLY  44   0.472  17.629  -0.878
  286    HA3  GLY  44           HA2      GLY  44  -0.680  16.658  -1.783
  287    H    ALA  45           H        ALA  45  -1.165  14.702   0.217
  288    HA   ALA  45           HA       ALA  45  -3.073  16.011   1.862
  289    HB1  ALA  45           HB1      ALA  45  -3.426  13.825   2.875
  290    HB2  ALA  45           HB2      ALA  45  -3.343  13.691   1.118
  291    HB3  ALA  45           HB3      ALA  45  -1.960  13.216   2.106
  292    H    GLY  46           H        GLY  46   0.258  15.091   2.274
  293    HA2  GLY  46           HA1      GLY  46   1.388  16.660   3.868
  294    HA3  GLY  46           HA2      GLY  46   0.144  16.188   5.011
  295    H    PHE  47           H        PHE  47   1.133  13.570   3.096
  296    HA   PHE  47           HA       PHE  47   2.419  12.367   5.387
  297    HB2  PHE  47           HB2      PHE  47   2.213  11.207   2.601
  298    HB3  PHE  47           HB3      PHE  47   2.520  10.337   4.095
  299    HD1  PHE  47           HD1      PHE  47   0.176  12.258   5.398
  300    HD2  PHE  47           HD2      PHE  47   0.507   9.449   2.221
  301    HE1  PHE  47           HE1      PHE  47  -2.238  11.794   5.546
  302    HE2  PHE  47           HE2      PHE  47  -1.895   8.975   2.357
  303    HZ   PHE  47           HZ       PHE  47  -3.271  10.164   4.015
  304    H    THR  48           H        THR  48   4.544  11.299   5.200
  305    HA   THR  48           HA       THR  48   6.392  12.856   3.498
  306    HB   THR  48           HB       THR  48   7.131  11.412   6.047
  307    HG1  THR  48           HG1      THR  48   5.529  13.207   6.270
  308   HG21  THR  48          3HG2      THR  48   9.069  12.928   5.992
  309   HG22  THR  48          1HG2      THR  48   8.487  13.603   4.470
  310   HG23  THR  48          2HG2      THR  48   8.987  11.914   4.553
  311    H    VAL  49           H        VAL  49   7.616  11.709   2.033
  312    HA   VAL  49           HA       VAL  49   7.465   8.785   2.289
  313    HB   VAL  49           HB       VAL  49   7.634   8.530  -0.060
  314   HG11  VAL  49          2HG1      VAL  49   5.660   9.700  -0.881
  315   HG12  VAL  49          1HG1      VAL  49   5.736  10.812   0.486
  316   HG13  VAL  49          3HG1      VAL  49   5.407   9.099   0.757
  317   HG21  VAL  49          3HG2      VAL  49   7.966  10.311  -1.633
  318   HG22  VAL  49          2HG2      VAL  49   9.290  10.305  -0.470
  319   HG23  VAL  49          1HG2      VAL  49   8.004  11.506  -0.334
  320    H    ASN  50           H        ASN  50   9.254   7.689   2.679
  321    HA   ASN  50           HA       ASN  50  11.868   8.994   2.204
  322    HB2  ASN  50           HB2      ASN  50  11.291   6.837   4.247
  323    HB3  ASN  50           HB3      ASN  50  12.765   7.779   4.086
  324   HD21  ASN  50          1HD2      ASN  50  10.781   7.333   6.273
  325   HD22  ASN  50          2HD2      ASN  50  10.347   8.921   6.810
  326    H    HIS  51           H        HIS  51   9.831   6.783   1.080
  327    HA   HIS  51           HA       HIS  51   9.800   4.667   0.302
  328    HB2  HIS  51           HB2      HIS  51  11.315   4.306  -1.629
  329    HB3  HIS  51           HB3      HIS  51  10.489   5.850  -1.663
  330    HD1  HIS  51           HD1      HIS  51  11.933   7.958  -1.661
  331    HD2  HIS  51           HD2      HIS  51  14.124   4.443  -1.298
  332    HE1  HIS  51           HE1      HIS  51  14.330   8.610  -2.029
  333    HE2  HIS  51           HE2      HIS  51  15.586   6.425  -2.083
  334    H    THR  52           H        THR  52  10.255   3.811   2.418
  335    HA   THR  52           HA       THR  52  12.247   1.752   2.213
  336    HB   THR  52           HB       THR  52  12.419   3.672   4.564
  337    HG1  THR  52           HG1      THR  52  13.546   3.812   2.128
  338   HG21  THR  52          3HG2      THR  52  14.101   1.269   3.824
  339   HG22  THR  52          1HG2      THR  52  12.965   1.370   5.168
  340   HG23  THR  52          2HG2      THR  52  14.421   2.367   5.167
  341    HA   PRO  53           HA       PRO  53   8.106   0.517   3.873
  342    HB2  PRO  53           HB2      PRO  53   8.782  -2.192   3.647
  343    HB3  PRO  53           HB3      PRO  53   7.888  -1.233   2.466
  344    HG2  PRO  53           HG2      PRO  53  10.793  -1.919   2.547
  345    HG3  PRO  53           HG3      PRO  53   9.705  -1.800   1.151
  346    HD2  PRO  53           HD2      PRO  53  11.448   0.132   1.659
  347    HD3  PRO  53           HD3      PRO  53   9.798   0.526   1.122
  348    H    SER  54           H        SER  54   7.410  -0.310   5.792
  349    HA   SER  54           HA       SER  54   9.262  -1.479   7.672
  350    HB2  SER  54           HB2      SER  54   8.667   0.316   9.386
  351    HB3  SER  54           HB3      SER  54   9.779   0.810   8.109
  352    HG   SER  54           HG       SER  54   7.726   2.120   8.737
  353    H    LYS  55           H        LYS  55   8.066  -1.914   9.781
  354    HA   LYS  55           HA       LYS  55   5.691  -3.319   9.170
  355    HB2  LYS  55           HB2      LYS  55   7.157  -4.070  10.958
  356    HB3  LYS  55           HB3      LYS  55   6.921  -2.565  11.836
  357    HG2  LYS  55           HG2      LYS  55   4.576  -3.115  12.178
  358    HG3  LYS  55           HG3      LYS  55   4.785  -4.607  11.261
  359    HD2  LYS  55           HD2      LYS  55   6.420  -5.377  12.930
  360    HD3  LYS  55           HD3      LYS  55   6.154  -3.897  13.855
  361    HE2  LYS  55           HE2      LYS  55   4.081  -5.994  13.218
  362    HE3  LYS  55           HE3      LYS  55   4.862  -5.747  14.778
  363    HZ1  LYS  55           HZ1      LYS  55   3.107  -3.790  13.384
  364    HZ2  LYS  55           HZ2      LYS  55   3.876  -3.534  14.872
  365    HZ3  LYS  55           HZ3      LYS  55   2.681  -4.725  14.733
  366    H    GLY  56           H        GLY  56   3.808  -2.368   8.719
  367    HA2  GLY  56           HA1      GLY  56   1.841  -1.285   9.555
  368    HA3  GLY  56           HA2      GLY  56   2.872  -0.232  10.512
  369    H    ALA  57           H        ALA  57   4.274  -0.550   7.545
  370    HA   ALA  57           HA       ALA  57   3.104   1.997   6.661
  371    HB1  ALA  57           HB1      ALA  57   5.138   2.334   5.395
  372    HB2  ALA  57           HB2      ALA  57   5.518   2.008   7.086
  373    HB3  ALA  57           HB3      ALA  57   5.729   0.741   5.874
  374    H    ILE  58           H        ILE  58   4.141   1.796   3.983
  375    HA   ILE  58           HA       ILE  58   2.622  -0.431   2.848
  376    HB   ILE  58           HB       ILE  58   2.255   2.327   1.696
  377   HG12  ILE  58          2HG1      ILE  58  -0.105   2.087   2.847
  378   HG13  ILE  58          3HG1      ILE  58   0.783   1.105   4.004
  379   HG21  ILE  58          2HG2      ILE  58   1.676   0.499   0.247
  380   HG22  ILE  58          1HG2      ILE  58   0.198   1.299   0.776
  381   HG23  ILE  58          3HG2      ILE  58   0.679  -0.235   1.503
  382   HD11  ILE  58          3HD1      ILE  58   0.591   3.391   4.776
  383   HD12  ILE  58          2HD1      ILE  58   1.355   3.976   3.299
  384   HD13  ILE  58          1HD1      ILE  58   2.276   2.998   4.441
  385    H    LEU  59           H        LEU  59   2.961  -0.430   0.369
  386    HA   LEU  59           HA       LEU  59   5.732   0.372  -0.262
  387    HB2  LEU  59           HB2      LEU  59   5.057  -2.142   0.002
  388    HB3  LEU  59           HB3      LEU  59   4.322  -1.928  -1.573
  389    HG   LEU  59           HG       LEU  59   6.657  -1.060  -2.274
  390   HD11  LEU  59          2HD1      LEU  59   7.341  -2.612   0.210
  391   HD12  LEU  59          1HD1      LEU  59   7.582  -0.883  -0.045
  392   HD13  LEU  59          3HD1      LEU  59   8.490  -2.051  -1.001
  393   HD21  LEU  59          3HD2      LEU  59   5.649  -3.098  -3.108
  394   HD22  LEU  59          2HD2      LEU  59   6.168  -3.963  -1.660
  395   HD23  LEU  59          1HD2      LEU  59   7.368  -3.333  -2.788
  396    H    GLN  60           H        GLN  60   6.099   0.680  -2.638
  397    HA   GLN  60           HA       GLN  60   3.757   1.209  -4.269
  398    HB2  GLN  60           HB2      GLN  60   3.748   3.369  -3.543
  399    HB3  GLN  60           HB3      GLN  60   5.426   3.323  -3.034
  400    HG2  GLN  60           HG2      GLN  60   5.261   4.908  -4.767
  401    HG3  GLN  60           HG3      GLN  60   6.080   3.499  -5.444
  402   HE21  GLN  60          1HE2      GLN  60   2.651   3.671  -4.849
  403   HE22  GLN  60          2HE2      GLN  60   2.159   3.718  -6.502
  404    H    SER  61           H        SER  61   4.109   0.523  -6.205
  405    HA   SER  61           HA       SER  61   6.837   0.605  -7.307
  406    HB2  SER  61           HB2      SER  61   4.805  -1.528  -7.977
  407    HB3  SER  61           HB3      SER  61   6.542  -1.535  -8.290
  408    HG   SER  61           HG       SER  61   6.187  -1.233  -5.684
  409    H    SER  62           H        SER  62   6.834   2.049  -8.925
  410    HA   SER  62           HA       SER  62   4.447   2.973 -10.142
  411    HB2  SER  62           HB2      SER  62   7.305   3.401 -11.040
  412    HB3  SER  62           HB3      SER  62   5.903   4.372 -11.493
  413    HG   SER  62           HG       SER  62   5.760   4.500  -8.984
  414    H    GLU  63           H        GLU  63   3.409   1.259 -11.094
  415    HA   GLU  63           HA       GLU  63   4.775  -0.088 -13.302
  416    HB2  GLU  63           HB2      GLU  63   2.152  -0.764 -11.955
  417    HB3  GLU  63           HB3      GLU  63   2.891  -1.677 -13.263
  418    HG2  GLU  63           HG2      GLU  63   4.883  -1.996 -11.747
  419    HG3  GLU  63           HG3      GLU  63   3.880  -1.355 -10.447
  420    H    GLY  64           H        GLY  64   3.736  -0.325 -15.313
  421    HA2  GLY  64           HA1      GLY  64   2.897   1.998 -16.512
  422    HA3  GLY  64           HA2      GLY  64   2.631   0.401 -17.174
  423    HA   PRO  65           HA       PRO  65  -1.701   0.418 -16.653
  424    HB2  PRO  65           HB2      PRO  65  -2.493  -0.976 -14.405
  425    HB3  PRO  65           HB3      PRO  65  -2.072  -1.712 -15.956
  426    HG2  PRO  65           HG2      PRO  65  -0.414  -1.393 -13.493
  427    HG3  PRO  65           HG3      PRO  65  -0.515  -2.767 -14.608
  428    HD2  PRO  65           HD2      PRO  65   1.542  -1.043 -14.679
  429    HD3  PRO  65           HD3      PRO  65   0.886  -1.766 -16.165
  430    H    PHE  66           H        PHE  66  -0.855   0.552 -13.176
  431    HA   PHE  66           HA       PHE  66  -1.775   3.261 -12.943
  432    HB2  PHE  66           HB2      PHE  66  -3.690   2.888 -11.555
  433    HB3  PHE  66           HB3      PHE  66  -3.904   1.882 -12.983
  434    HD1  PHE  66           HD1      PHE  66  -2.853  -0.563 -12.692
  435    HD2  PHE  66           HD2      PHE  66  -4.184   1.957  -9.537
  436    HE1  PHE  66           HE1      PHE  66  -3.131  -2.536 -11.248
  437    HE2  PHE  66           HE2      PHE  66  -4.463  -0.009  -8.080
  438    HZ   PHE  66           HZ       PHE  66  -3.935  -2.256  -8.934
  439    H    GLY  67           H        GLY  67   0.550   1.483 -12.317
  440    HA2  GLY  67           HA1      GLY  67   2.176   1.547 -10.674
  441    HA3  GLY  67           HA2      GLY  67   1.102   2.543  -9.705
  442    H    HIS  68           H        HIS  68   1.781   1.312  -7.874
  443    HA   HIS  68           HA       HIS  68   0.114  -0.964  -7.335
  444    HB2  HIS  68           HB2      HIS  68   2.293  -1.697  -8.679
  445    HB3  HIS  68           HB3      HIS  68   3.030  -1.532  -7.080
  446    HD1  HIS  68           HD1      HIS  68   1.564  -3.994  -9.154
  447    HD2  HIS  68           HD2      HIS  68   1.370  -3.126  -5.089
  448    HE1  HIS  68           HE1      HIS  68   0.733  -6.104  -8.039
  449    HE2  HIS  68           HE2      HIS  68   0.565  -5.530  -5.577
  450    H    VAL  69           H        VAL  69  -0.462  -0.489  -5.226
  451    HA   VAL  69           HA       VAL  69   1.809  -0.021  -3.422
  452    HB   VAL  69           HB       VAL  69   0.305   1.254  -1.937
  453   HG11  VAL  69          2HG1      VAL  69   0.284   3.289  -3.312
  454   HG12  VAL  69          1HG1      VAL  69   0.581   2.310  -4.748
  455   HG13  VAL  69          3HG1      VAL  69   1.800   2.398  -3.475
  456   HG21  VAL  69          3HG2      VAL  69  -1.622   1.100  -4.252
  457   HG22  VAL  69          2HG2      VAL  69  -1.813   2.107  -2.815
  458   HG23  VAL  69          1HG2      VAL  69  -1.834   0.350  -2.669
  459    H    ALA  70           H        ALA  70   1.995  -1.301  -1.708
  460    HA   ALA  70           HA       ALA  70  -0.192  -3.153  -1.053
  461    HB1  ALA  70           HB1      ALA  70   1.362  -4.330  -2.525
  462    HB2  ALA  70           HB2      ALA  70   2.697  -3.933  -1.443
  463    HB3  ALA  70           HB3      ALA  70   1.404  -4.998  -0.894
  464    H    TYR  71           H        TYR  71  -0.502  -3.406   1.096
  465    HA   TYR  71           HA       TYR  71   0.815  -1.557   2.820
  466    HB2  TYR  71           HB2      TYR  71  -1.539  -1.977   3.087
  467    HB3  TYR  71           HB3      TYR  71  -1.257  -3.701   3.324
  468    HD1  TYR  71           HD2      TYR  71  -0.861  -0.361   4.853
  469    HD2  TYR  71           HD1      TYR  71  -0.710  -4.569   5.461
  470    HE1  TYR  71           HE2      TYR  71  -0.793   0.000   7.283
  471    HE2  TYR  71           HE1      TYR  71  -0.637  -4.219   7.897
  472    HH   TYR  71           HH       TYR  71  -0.120  -2.554   9.515
  473    H    VAL  72           H        VAL  72   2.483  -1.866   4.160
  474    HA   VAL  72           HA       VAL  72   3.767  -4.493   4.167
  475    HB   VAL  72           HB       VAL  72   4.806  -1.903   5.323
  476   HG11  VAL  72          2HG1      VAL  72   6.171  -4.491   4.600
  477   HG12  VAL  72          1HG1      VAL  72   5.922  -3.834   6.222
  478   HG13  VAL  72          3HG1      VAL  72   7.002  -3.014   5.092
  479   HG21  VAL  72          3HG2      VAL  72   4.375  -1.593   2.950
  480   HG22  VAL  72          2HG2      VAL  72   5.293  -3.054   2.578
  481   HG23  VAL  72          1HG2      VAL  72   6.110  -1.651   3.270
  482    H    GLU  73           H        GLU  73   3.180  -5.832   5.768
  483    HA   GLU  73           HA       GLU  73   2.139  -4.749   8.240
  484    HB2  GLU  73           HB2      GLU  73   2.506  -7.602   7.319
  485    HB3  GLU  73           HB3      GLU  73   1.779  -7.138   8.852
  486    HG2  GLU  73           HG2      GLU  73   0.076  -5.843   7.534
  487    HG3  GLU  73           HG3      GLU  73   0.737  -6.599   6.086
  488    H    SER  74           H        SER  74   5.187  -5.811   7.071
  489    HA   SER  74           HA       SER  74   6.545  -5.173   9.431
  490    HB2  SER  74           HB2      SER  74   7.272  -7.481  10.122
  491    HB3  SER  74           HB3      SER  74   5.577  -7.126  10.447
  492    HG   SER  74           HG       SER  74   6.143  -9.227   9.416
  493    H    VAL  75           H        VAL  75   8.832  -5.622   9.353
  494    HA   VAL  75           HA       VAL  75   9.804  -6.530   6.726
  495    HB   VAL  75           HB       VAL  75  10.514  -4.251   7.128
  496   HG11  VAL  75          2HG1      VAL  75  10.277  -4.170   9.542
  497   HG12  VAL  75          1HG1      VAL  75  11.884  -3.624   9.062
  498   HG13  VAL  75          3HG1      VAL  75  11.666  -5.240   9.732
  499   HG21  VAL  75          3HG2      VAL  75  12.143  -5.692   6.030
  500   HG22  VAL  75          2HG2      VAL  75  12.800  -6.168   7.596
  501   HG23  VAL  75          1HG2      VAL  75  12.959  -4.501   7.044
  502    H    ASN  76           H        ASN  76  11.186  -8.257   6.670
  503    HA   ASN  76           HA       ASN  76  11.243  -9.839   9.097
  504    HB2  ASN  76           HB2      ASN  76  12.200 -10.512   6.305
  505    HB3  ASN  76           HB3      ASN  76  12.089 -11.644   7.648
  506   HD21  ASN  76          1HD2      ASN  76  10.780 -11.664   5.032
  507   HD22  ASN  76          2HD2      ASN  76   9.079 -11.708   5.349
  508    H    SER  77           H        SER  77  13.173 -10.856   9.885
  509    HA   SER  77           HA       SER  77  15.342  -9.118  10.241
  510    HB2  SER  77           HB2      SER  77  15.287 -12.120  10.635
  511    HB3  SER  77           HB3      SER  77  16.420 -10.988  11.375
  512    HG   SER  77           HG       SER  77  13.600 -11.073  11.769
  513    H    ASP  78           H        ASP  78  14.656 -11.404   7.759
  514    HA   ASP  78           HA       ASP  78  17.194 -11.878   6.687
  515    HB2  ASP  78           HB2      ASP  78  14.526 -11.598   5.279
  516    HB3  ASP  78           HB3      ASP  78  15.982 -12.249   4.536
  517    H    GLY  79           H        GLY  79  15.314  -9.013   6.788
  518    HA2  GLY  79           HA1      GLY  79  16.258  -6.880   6.229
  519    HA3  GLY  79           HA2      GLY  79  17.212  -7.672   4.980
  520    H    SER  80           H        SER  80  14.665  -9.243   4.407
  521    HA   SER  80           HA       SER  80  13.572  -7.351   2.491
  522    HB2  SER  80           HB2      SER  80  12.903 -10.284   2.852
  523    HB3  SER  80           HB3      SER  80  12.587  -9.279   1.435
  524    HG   SER  80           HG       SER  80  15.191  -9.162   2.012
  525    H    VAL  81           H        VAL  81  11.329  -6.849   2.397
  526    HA   VAL  81           HA       VAL  81  10.080  -7.040   5.045
  527    HB   VAL  81           HB       VAL  81   8.744  -5.148   4.505
  528   HG11  VAL  81          2HG1      VAL  81  11.013  -4.620   5.158
  529   HG12  VAL  81          1HG1      VAL  81  10.427  -3.439   3.985
  530   HG13  VAL  81          3HG1      VAL  81  11.541  -4.708   3.476
  531   HG21  VAL  81          3HG2      VAL  81   9.793  -5.337   1.685
  532   HG22  VAL  81          2HG2      VAL  81   8.753  -4.061   2.315
  533   HG23  VAL  81          1HG2      VAL  81   8.153  -5.716   2.213
  534    H    THR  82           H        THR  82   7.807  -7.434   5.232
  535    HA   THR  82           HA       THR  82   6.810  -9.254   3.147
  536    HB   THR  82           HB       THR  82   6.077  -9.083   6.081
  537    HG1  THR  82           HG1      THR  82   7.713 -10.394   6.294
  538   HG21  THR  82          3HG2      THR  82   4.796 -11.144   5.677
  539   HG22  THR  82          1HG2      THR  82   5.163 -11.031   3.956
  540   HG23  THR  82          2HG2      THR  82   4.166  -9.797   4.728
  541    H    ILE  83           H        ILE  83   5.484  -8.183   1.815
  542    HA   ILE  83           HA       ILE  83   3.731  -6.125   2.920
  543    HB   ILE  83           HB       ILE  83   3.227  -5.536   0.570
  544   HG12  ILE  83          2HG1      ILE  83   5.150  -6.535  -1.020
  545   HG13  ILE  83          3HG1      ILE  83   4.919  -7.921   0.041
  546   HG21  ILE  83          2HG2      ILE  83   6.151  -5.575   1.287
  547   HG22  ILE  83          1HG2      ILE  83   4.967  -4.355   1.759
  548   HG23  ILE  83          3HG2      ILE  83   5.412  -4.543   0.063
  549   HD11  ILE  83          3HD1      ILE  83   3.561  -8.110  -1.957
  550   HD12  ILE  83          2HD1      ILE  83   2.783  -6.569  -1.593
  551   HD13  ILE  83          1HD1      ILE  83   2.543  -7.951  -0.524
  552    H    SER  84           H        SER  84   1.538  -6.178   2.737
  553    HA   SER  84           HA       SER  84   0.318  -8.638   1.714
  554    HB2  SER  84           HB2      SER  84  -0.367  -7.274   4.329
  555    HB3  SER  84           HB3      SER  84  -1.203  -8.667   3.645
  556    HG   SER  84           HG       SER  84   0.605  -8.936   5.302
  557    H    GLU  85           H        GLU  85  -0.817  -7.975   0.066
  558    HA   GLU  85           HA       GLU  85  -2.667  -5.704   0.410
  559    HB2  GLU  85           HB2      GLU  85  -2.367  -5.136  -1.934
  560    HB3  GLU  85           HB3      GLU  85  -0.784  -5.167  -1.167
  561    HG2  GLU  85           HG2      GLU  85  -0.347  -7.362  -2.076
  562    HG3  GLU  85           HG3      GLU  85  -1.964  -7.421  -2.772
  563    H    MET  86           H        MET  86  -4.681  -6.018  -0.858
  564    HA   MET  86           HA       MET  86  -5.027  -8.762  -1.827
  565    HB2  MET  86           HB2      MET  86  -6.722  -7.801  -0.164
  566    HB3  MET  86           HB3      MET  86  -7.238  -6.753  -1.474
  567    HG2  MET  86           HG2      MET  86  -8.681  -8.467  -1.821
  568    HG3  MET  86           HG3      MET  86  -7.331  -9.036  -2.793
  569    HE1  MET  86           HE1      MET  86  -8.209 -10.573   1.467
  570    HE2  MET  86           HE2      MET  86  -7.588  -8.958   1.133
  571    HE3  MET  86           HE3      MET  86  -9.225  -9.391   0.640
  572    H    ASN  87           H        ASN  87  -4.808  -8.963  -3.946
  573    HA   ASN  87           HA       ASN  87  -4.693  -6.578  -5.563
  574    HB2  ASN  87           HB2      ASN  87  -3.017  -8.339  -5.932
  575    HB3  ASN  87           HB3      ASN  87  -4.316  -9.473  -6.315
  576   HD21  ASN  87          1HD2      ASN  87  -4.373  -6.141  -7.358
  577   HD22  ASN  87          2HD2      ASN  87  -4.210  -6.477  -9.037
  578    H    TYR  88           H        TYR  88  -6.810  -5.831  -5.825
  579    HA   TYR  88           HA       TYR  88  -8.664  -7.685  -7.084
  580    HB2  TYR  88           HB2      TYR  88  -9.370  -5.890  -5.425
  581    HB3  TYR  88           HB3      TYR  88  -9.085  -4.725  -6.713
  582    HD1  TYR  88           HD1      TYR  88 -11.199  -7.501  -5.586
  583    HD2  TYR  88           HD2      TYR  88 -10.622  -4.516  -8.559
  584    HE1  TYR  88           HE1      TYR  88 -13.490  -7.875  -6.397
  585    HE2  TYR  88           HE2      TYR  88 -12.910  -4.885  -9.382
  586    HH   TYR  88           HH       TYR  88 -14.638  -6.547  -9.359
  587    H    SER  89           H        SER  89  -6.926  -4.702  -7.964
  588    HA   SER  89           HA       SER  89  -7.732  -4.931 -10.714
  589    HB2  SER  89           HB2      SER  89  -5.598  -3.169  -9.486
  590    HB3  SER  89           HB3      SER  89  -6.336  -2.973 -11.079
  591    HG   SER  89           HG       SER  89  -8.187  -2.313 -10.175
  592    H    GLY  90           H        GLY  90  -7.049  -6.945 -11.329
  593    HA2  GLY  90           HA1      GLY  90  -4.836  -7.543 -12.652
  594    HA3  GLY  90           HA2      GLY  90  -4.259  -7.723 -10.997
  595    H    GLY  91           H        GLY  91  -4.934  -9.463  -9.759
  596    HA2  GLY  91           HA1      GLY  91  -6.938 -11.257 -11.005
  597    HA3  GLY  91           HA2      GLY  91  -5.577 -11.847 -10.052
  598    HA   PRO  92           HA       PRO  92  -8.733  -8.958  -7.469
  599    HB2  PRO  92           HB2      PRO  92 -11.066 -10.601  -8.387
  600    HB3  PRO  92           HB3      PRO  92 -11.009  -8.902  -7.878
  601    HG2  PRO  92           HG2      PRO  92 -11.081  -9.481 -10.452
  602    HG3  PRO  92           HG3      PRO  92  -9.998  -8.205  -9.858
  603    HD2  PRO  92           HD2      PRO  92  -9.351 -10.994 -10.735
  604    HD3  PRO  92           HD3      PRO  92  -8.419  -9.497 -10.948
  605    H    PHE  93           H        PHE  93  -8.648  -9.385  -5.486
  606    HA   PHE  93           HA       PHE  93  -8.724 -10.324  -3.459
  607    HB2  PHE  93           HB2      PHE  93 -10.171 -12.584  -4.818
  608    HB3  PHE  93           HB3      PHE  93  -9.818 -12.517  -3.088
  609    HD1  PHE  93           HD1      PHE  93 -10.827 -10.736  -1.697
  610    HD2  PHE  93           HD2      PHE  93 -11.964 -11.338  -5.752
  611    HE1  PHE  93           HE1      PHE  93 -12.870  -9.421  -1.314
  612    HE2  PHE  93           HE2      PHE  93 -14.006 -10.020  -5.379
  613    HZ   PHE  93           HZ       PHE  93 -14.465  -9.060  -3.160
  614    H    SER  94           H        SER  94  -6.770 -11.210  -5.839
  615    HA   SER  94           HA       SER  94  -5.350 -13.307  -4.508
  616    HB2  SER  94           HB2      SER  94  -4.550 -11.278  -6.591
  617    HB3  SER  94           HB3      SER  94  -3.350 -12.336  -5.847
  618    HG   SER  94           HG       SER  94  -5.720 -13.351  -7.035
  619    H    VAL  95           H        VAL  95  -5.439 -12.565  -2.307
  620    HA   VAL  95           HA       VAL  95  -4.251 -10.139  -1.555
  621    HB   VAL  95           HB       VAL  95  -5.587 -11.016   0.122
  622   HG11  VAL  95          2HG1      VAL  95  -5.398 -13.267   1.032
  623   HG12  VAL  95          1HG1      VAL  95  -4.118 -13.620  -0.130
  624   HG13  VAL  95          3HG1      VAL  95  -5.751 -13.263  -0.696
  625   HG21  VAL  95          3HG2      VAL  95  -2.770 -11.685   0.966
  626   HG22  VAL  95          2HG2      VAL  95  -4.139 -11.456   2.054
  627   HG23  VAL  95          1HG2      VAL  95  -3.551 -10.108   1.081
  628    H    SER  96           H        SER  96  -2.331  -9.704  -2.326
  629    HA   SER  96           HA       SER  96  -0.419 -11.771  -2.875
  630    HB2  SER  96           HB2      SER  96  -0.767 -10.071  -4.548
  631    HB3  SER  96           HB3      SER  96  -0.427  -8.790  -3.389
  632    HG   SER  96           HG       SER  96   1.543  -8.960  -4.055
  633    H    SER  97           H        SER  97   1.411 -12.171  -1.900
  634    HA   SER  97           HA       SER  97   2.417 -10.302   0.128
  635    HB2  SER  97           HB2      SER  97   2.143 -13.290   0.549
  636    HB3  SER  97           HB3      SER  97   2.907 -12.160   1.666
  637    HG   SER  97           HG       SER  97   0.661 -11.068   1.360
  638    H    ARG  98           H        ARG  98   4.025  -9.672  -1.281
  639    HA   ARG  98           HA       ARG  98   5.856 -11.729  -2.266
  640    HB2  ARG  98           HB2      ARG  98   5.046 -10.005  -3.867
  641    HB3  ARG  98           HB3      ARG  98   5.804  -8.764  -2.878
  642    HG2  ARG  98           HG2      ARG  98   7.986  -9.919  -3.246
  643    HG3  ARG  98           HG3      ARG  98   7.164 -10.973  -4.393
  644    HD2  ARG  98           HD2      ARG  98   6.617  -9.095  -5.798
  645    HD3  ARG  98           HD3      ARG  98   7.275  -7.968  -4.607
  646    HE   ARG  98           HE       ARG  98   8.988 -10.013  -5.864
  647   HH11  ARG  98          2HH1      ARG  98   8.236  -6.631  -5.302
  648   HH12  ARG  98          1HH1      ARG  98   9.804  -6.070  -5.785
  649   HH21  ARG  98          2HH2      ARG  98  11.046  -9.273  -6.472
  650   HH22  ARG  98          1HH2      ARG  98  11.426  -7.575  -6.401
  651    H    THR  99           H        THR  99   8.116 -11.590  -1.863
  652    HA   THR  99           HA       THR  99   8.759 -10.307   0.681
  653    HB   THR  99           HB       THR  99  10.432 -12.242  -0.940
  654    HG1  THR  99           HG1      THR  99   8.172 -12.695   0.378
  655   HG21  THR  99          3HG2      THR  99  11.692 -10.936   0.709
  656   HG22  THR  99          1HG2      THR  99  11.585 -12.631   1.183
  657   HG23  THR  99          2HG2      THR  99  10.558 -11.431   1.968
  658    H    ILE 100           H        ILE 100   9.319  -8.235   0.387
  659    HA   ILE 100           HA       ILE 100  10.564  -7.359  -2.069
  660    HB   ILE 100           HB       ILE 100   9.956  -5.772   0.429
  661   HG12  ILE 100          2HG1      ILE 100   7.897  -6.644  -0.483
  662   HG13  ILE 100          3HG1      ILE 100   8.005  -4.926  -0.862
  663   HG21  ILE 100          2HG2      ILE 100  11.656  -4.709  -0.925
  664   HG22  ILE 100          1HG2      ILE 100  10.144  -3.810  -1.030
  665   HG23  ILE 100          3HG2      ILE 100  10.640  -4.856  -2.360
  666   HD11  ILE 100          3HD1      ILE 100   8.607  -7.193  -2.748
  667   HD12  ILE 100          2HD1      ILE 100   8.716  -5.475  -3.130
  668   HD13  ILE 100          1HD1      ILE 100   7.152  -6.196  -2.747
  669    H    SER 101           H        SER 101  12.672  -7.590  -2.372
  670    HA   SER 101           HA       SER 101  14.594  -8.055  -0.388
  671    HB2  SER 101           HB2      SER 101  15.087  -6.786  -3.088
  672    HB3  SER 101           HB3      SER 101  16.219  -7.742  -2.132
  673    HG   SER 101           HG       SER 101  14.047  -8.555  -3.688
  674    H    ALA 102           H        ALA 102  16.161  -6.702   0.561
  675    HA   ALA 102           HA       ALA 102  15.357  -4.207   1.456
  676    HB1  ALA 102           HB1      ALA 102  17.612  -3.941   2.312
  677    HB2  ALA 102           HB2      ALA 102  17.037  -5.589   2.575
  678    HB3  ALA 102           HB3      ALA 102  18.176  -5.250   1.272
  679    H    SER 103           H        SER 103  17.327  -5.034  -1.347
  680    HA   SER 103           HA       SER 103  18.173  -2.431  -2.001
  681    HB2  SER 103           HB2      SER 103  19.143  -4.486  -2.991
  682    HB3  SER 103           HB3      SER 103  17.638  -4.764  -3.867
  683    HG   SER 103           HG       SER 103  18.075  -3.128  -5.197
  684    H    GLU 104           H        GLU 104  15.270  -4.252  -2.836
  685    HA   GLU 104           HA       GLU 104  14.197  -2.204  -4.542
  686    HB2  GLU 104           HB2      GLU 104  12.806  -4.567  -3.261
  687    HB3  GLU 104           HB3      GLU 104  12.207  -3.614  -4.612
  688    HG2  GLU 104           HG2      GLU 104  13.963  -4.408  -6.033
  689    HG3  GLU 104           HG3      GLU 104  14.739  -5.237  -4.682
  690    H    ALA 105           H        ALA 105  13.987  -3.138  -1.197
  691    HA   ALA 105           HA       ALA 105  11.790  -1.631  -0.370
  692    HB1  ALA 105           HB1      ALA 105  14.313  -2.208   1.186
  693    HB2  ALA 105           HB2      ALA 105  12.757  -1.731   1.863
  694    HB3  ALA 105           HB3      ALA 105  12.925  -3.289   1.052
  695    H    GLY 106           H        GLY 106  15.217  -0.731  -0.643
  696    HA2  GLY 106           HA1      GLY 106  14.720   2.021   0.069
  697    HA3  GLY 106           HA2      GLY 106  16.229   1.354  -0.541
  698    H    ASN 107           H        ASN 107  13.068   1.139  -2.051
  699    HA   ASN 107           HA       ASN 107  13.804   3.071  -4.105
  700    HB2  ASN 107           HB2      ASN 107  14.669   1.042  -5.069
  701    HB3  ASN 107           HB3      ASN 107  13.207   0.156  -4.657
  702   HD21  ASN 107          1HD2      ASN 107  11.388   0.376  -5.935
  703   HD22  ASN 107          2HD2      ASN 107  11.422   1.144  -7.483
  704    H    TYR 108           H        TYR 108  11.411   0.657  -3.071
  705    HA   TYR 108           HA       TYR 108   9.190   1.934  -4.283
  706    HB2  TYR 108           HB2      TYR 108   9.262   0.008  -1.952
  707    HB3  TYR 108           HB3      TYR 108   7.828   0.444  -2.870
  708    HD1  TYR 108           HD1      TYR 108   8.654   0.258  -5.646
  709    HD2  TYR 108           HD2      TYR 108   9.752  -2.195  -2.355
  710    HE1  TYR 108           HE1      TYR 108   9.062  -1.616  -7.182
  711    HE2  TYR 108           HE2      TYR 108  10.162  -4.068  -3.876
  712    HH   TYR 108           HH       TYR 108  10.311  -3.695  -7.278
  713    H    ASN 109           H        ASN 109   7.976   3.602  -3.621
  714    HA   ASN 109           HA       ASN 109   8.934   5.109  -1.332
  715    HB2  ASN 109           HB2      ASN 109   6.715   5.918  -3.222
  716    HB3  ASN 109           HB3      ASN 109   7.697   6.967  -2.200
  717   HD21  ASN 109          1HD2      ASN 109   9.722   7.590  -2.889
  718   HD22  ASN 109          2HD2      ASN 109  10.312   7.264  -4.486
  719    H    TYR 110           H        TYR 110   8.019   4.958   0.636
  720    HA   TYR 110           HA       TYR 110   5.218   4.108   0.773
  721    HB2  TYR 110           HB2      TYR 110   5.614   3.291   2.979
  722    HB3  TYR 110           HB3      TYR 110   6.902   2.676   1.959
  723    HD1  TYR 110           HD1      TYR 110   8.363   5.544   2.098
  724    HD2  TYR 110           HD2      TYR 110   6.917   2.750   4.948
  725    HE1  TYR 110           HE1      TYR 110  10.002   6.365   3.728
  726    HE2  TYR 110           HE2      TYR 110   8.545   3.570   6.590
  727    HH   TYR 110           HH       TYR 110  10.734   4.726   6.595
  728    H    ILE 111           H        ILE 111   3.823   5.223   2.340
  729    HA   ILE 111           HA       ILE 111   4.687   8.015   2.560
  730    HB   ILE 111           HB       ILE 111   2.334   8.670   2.391
  731   HG12  ILE 111          2HG1      ILE 111   1.843   5.717   1.918
  732   HG13  ILE 111          3HG1      ILE 111   1.242   6.661   3.272
  733   HG21  ILE 111          2HG2      ILE 111   2.085   8.121   0.007
  734   HG22  ILE 111          1HG2      ILE 111   3.320   6.874   0.176
  735   HG23  ILE 111          3HG2      ILE 111   3.741   8.570   0.411
  736   HD11  ILE 111          3HD1      ILE 111  -0.502   6.285   1.643
  737   HD12  ILE 111          2HD1      ILE 111   0.489   7.025   0.383
  738   HD13  ILE 111          1HD1      ILE 111  -0.103   8.000   1.733
  739    H    HIS 112           H        HIS 112   5.014   8.778   4.456
  740    HA   HIS 112           HA       HIS 112   4.235   7.209   6.796
  741    HB2  HIS 112           HB2      HIS 112   6.559   8.641   5.995
  742    HB3  HIS 112           HB3      HIS 112   5.929   9.410   7.446
  743    HD1  HIS 112           HD1      HIS 112   6.118   8.110   9.642
  744    HD2  HIS 112           HD2      HIS 112   7.531   6.036   6.323
  745    HE1  HIS 112           HE1      HIS 112   7.352   6.131  10.566
  746    HE2  HIS 112           HE2      HIS 112   8.403   5.044   8.556
  747    H    ILE 113           H        ILE 113   3.092   8.021   8.483
  748    HA   ILE 113           HA       ILE 113   1.695  10.536   8.135
  749    HB   ILE 113           HB       ILE 113   1.607   8.723  10.552
  750   HG12  ILE 113          2HG1      ILE 113  -0.201   8.595   8.131
  751   HG13  ILE 113          3HG1      ILE 113   1.120   7.472   8.437
  752   HG21  ILE 113          2HG2      ILE 113   0.631  10.910  10.891
  753   HG22  ILE 113          1HG2      ILE 113  -0.648   9.696  10.815
  754   HG23  ILE 113          3HG2      ILE 113  -0.336  10.735   9.425
  755   HD11  ILE 113          3HD1      ILE 113   0.031   6.753  10.496
  756   HD12  ILE 113          2HD1      ILE 113  -1.013   6.524   9.093
  757   HD13  ILE 113          1HD1      ILE 113  -1.292   7.878  10.190
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1 -16.913  -4.387   8.999
    2    H2   GLY   1           H2       GLY   1 -16.671  -6.026   8.636
    3    H3   GLY   1           H3       GLY   1 -18.130  -5.522   9.335
    4    HA2  GLY   1           HA2      GLY   1 -18.641  -4.221   7.350
    5    HA3  GLY   1           HA1      GLY   1 -17.147  -4.806   6.629
    6    H    SER   2           H        SER   2 -20.410  -5.570   7.502
    7    HA   SER   2           HA       SER   2 -20.159  -8.290   6.452
    8    HB2  SER   2           HB2      SER   2 -22.554  -6.907   7.694
    9    HB3  SER   2           HB3      SER   2 -22.411  -8.629   7.326
   10    HG   SER   2           HG       SER   2 -20.731  -8.766   8.854
   11    H    SER   3           H        SER   3 -21.347  -5.152   5.653
   12    HA   SER   3           HA       SER   3 -21.709  -5.998   2.918
   13    HB2  SER   3           HB2      SER   3 -23.967  -6.253   4.147
   14    HB3  SER   3           HB3      SER   3 -23.986  -4.490   4.203
   15    HG   SER   3           HG       SER   3 -23.931  -6.168   1.911
   16    H    ILE   4           H        ILE   4 -22.212  -3.931   1.553
   17    HA   ILE   4           HA       ILE   4 -20.362  -1.919   2.624
   18    HB   ILE   4           HB       ILE   4 -21.047  -2.429  -0.274
   19   HG12  ILE   4          2HG1      ILE   4 -18.576  -3.218   1.292
   20   HG13  ILE   4          3HG1      ILE   4 -19.853  -4.327   0.807
   21   HG21  ILE   4          2HG2      ILE   4 -20.327  -0.147   0.145
   22   HG22  ILE   4          1HG2      ILE   4 -19.065  -1.032  -0.712
   23   HG23  ILE   4          3HG2      ILE   4 -18.911  -0.732   1.019
   24   HD11  ILE   4          3HD1      ILE   4 -19.351  -3.858  -1.541
   25   HD12  ILE   4          2HD1      ILE   4 -17.956  -4.502  -0.677
   26   HD13  ILE   4          1HD1      ILE   4 -18.052  -2.780  -1.036
   27    H    SER   5           H        SER   5 -21.722  -0.542   3.672
   28    HA   SER   5           HA       SER   5 -23.331   1.137   1.872
   29    HB2  SER   5           HB2      SER   5 -24.802  -0.195   3.410
   30    HB3  SER   5           HB3      SER   5 -23.993   0.571   4.777
   31    HG   SER   5           HG       SER   5 -25.397   1.946   2.717
   32    H    HIS   6           H        HIS   6 -21.451   0.854   4.832
   33    HA   HIS   6           HA       HIS   6 -20.063   3.305   4.160
   34    HB2  HIS   6           HB2      HIS   6 -21.884   4.072   5.669
   35    HB3  HIS   6           HB3      HIS   6 -21.322   2.941   6.893
   36    HD1  HIS   6           HD1      HIS   6 -19.415   3.675   8.375
   37    HD2  HIS   6           HD2      HIS   6 -20.078   6.260   5.180
   38    HE1  HIS   6           HE1      HIS   6 -17.959   5.678   8.808
   39    HE2  HIS   6           HE2      HIS   6 -18.516   7.304   6.964
   40    H    SER   7           H        SER   7 -18.294   2.027   3.763
   41    HA   SER   7           HA       SER   7 -17.443   0.085   5.745
   42    HB2  SER   7           HB2      SER   7 -17.333  -0.401   3.299
   43    HB3  SER   7           HB3      SER   7 -16.139   0.884   3.129
   44    HG   SER   7           HG       SER   7 -15.907  -1.554   4.558
   45    H    GLY   8           H        GLY   8 -16.742   3.316   4.745
   46    HA2  GLY   8           HA1      GLY   8 -15.432   4.868   5.932
   47    HA3  GLY   8           HA2      GLY   8 -14.670   3.532   6.791
   48    H    ASN   9           H        ASN   9 -15.031   3.231   3.410
   49    HA   ASN   9           HA       ASN   9 -12.221   3.959   2.950
   50    HB2  ASN   9           HB2      ASN   9 -12.645   1.440   3.397
   51    HB3  ASN   9           HB3      ASN   9 -13.411   1.434   1.816
   52   HD21  ASN   9          1HD2      ASN   9 -11.499   3.415   0.746
   53   HD22  ASN   9          2HD2      ASN   9 -10.028   2.547   0.501
   54    H    LEU  10           H        LEU  10 -11.969   5.118   1.163
   55    HA   LEU  10           HA       LEU  10 -14.230   5.985  -0.300
   56    HB2  LEU  10           HB2      LEU  10 -11.299   6.397  -0.859
   57    HB3  LEU  10           HB3      LEU  10 -12.608   7.283  -1.615
   58    HG   LEU  10           HG       LEU  10 -11.898   7.358   1.317
   59   HD11  LEU  10          2HD1      LEU  10 -10.288   8.507  -0.112
   60   HD12  LEU  10          1HD1      LEU  10 -11.218   9.647   0.860
   61   HD13  LEU  10          3HD1      LEU  10 -11.599   9.431  -0.848
   62   HD21  LEU  10          3HD2      LEU  10 -13.568   9.153   1.448
   63   HD22  LEU  10          2HD2      LEU  10 -14.296   7.616   0.984
   64   HD23  LEU  10          1HD2      LEU  10 -14.009   8.857  -0.235
   65    H    TYR  11           H        TYR  11 -12.074   3.348  -0.834
   66    HA   TYR  11           HA       TYR  11 -12.306   3.482  -3.713
   67    HB2  TYR  11           HB2      TYR  11 -10.351   2.544  -1.994
   68    HB3  TYR  11           HB3      TYR  11 -11.056   1.074  -2.662
   69    HD1  TYR  11           HD2      TYR  11  -9.932   4.434  -3.836
   70    HD2  TYR  11           HD1      TYR  11 -10.129   0.259  -4.614
   71    HE1  TYR  11           HE2      TYR  11  -8.626   4.765  -5.890
   72    HE2  TYR  11           HE1      TYR  11  -8.827   0.578  -6.679
   73    HH   TYR  11           HH       TYR  11  -8.190   2.232  -8.222
   74    H    THR  12           H        THR  12 -12.434   1.016  -4.618
   75    HA   THR  12           HA       THR  12 -15.175   0.555  -4.739
   76    HB   THR  12           HB       THR  12 -13.135  -1.526  -5.475
   77    HG1  THR  12           HG1      THR  12 -13.540   1.053  -6.589
   78   HG21  THR  12          3HG2      THR  12 -15.494  -2.039  -5.897
   79   HG22  THR  12          1HG2      THR  12 -14.593  -1.856  -7.403
   80   HG23  THR  12          2HG2      THR  12 -15.649  -0.557  -6.840
   81    H    ALA  13           H        ALA  13 -13.203  -2.268  -4.095
   82    HA   ALA  13           HA       ALA  13 -14.003  -2.805  -1.466
   83    HB1  ALA  13           HB1      ALA  13 -15.652  -4.203  -3.575
   84    HB2  ALA  13           HB2      ALA  13 -15.668  -4.563  -1.848
   85    HB3  ALA  13           HB3      ALA  13 -16.242  -3.000  -2.428
   86    H    GLY  14           H        GLY  14 -12.230  -3.886  -0.903
   87    HA2  GLY  14           HA1      GLY  14 -10.681  -5.582  -0.800
   88    HA3  GLY  14           HA2      GLY  14 -11.661  -6.460  -1.965
   89    H    GLN  15           H        GLN  15 -10.504  -3.283  -2.702
   90    HA   GLN  15           HA       GLN  15  -8.981  -4.361  -4.927
   91    HB2  GLN  15           HB2      GLN  15  -9.379  -1.457  -4.186
   92    HB3  GLN  15           HB3      GLN  15  -8.891  -2.104  -5.745
   93    HG2  GLN  15           HG2      GLN  15 -11.566  -2.604  -4.470
   94    HG3  GLN  15           HG3      GLN  15 -11.243  -1.328  -5.639
   95   HE21  GLN  15          1HE2      GLN  15  -9.486  -2.853  -7.295
   96   HE22  GLN  15          2HE2      GLN  15 -10.448  -4.035  -8.111
   97    H    CYS  16           H        CYS  16  -6.874  -2.838  -5.349
   98    HA   CYS  16           HA       CYS  16  -5.000  -3.826  -3.501
   99    HB2  CYS  16           HB2      CYS  16  -3.400  -2.268  -4.754
  100    HB3  CYS  16           HB3      CYS  16  -4.223  -3.508  -5.695
  101    HG   CYS  16           HG       CYS  16  -4.988  -1.845  -7.485
  102    H    THR  17           H        THR  17  -5.861  -0.426  -4.160
  103    HA   THR  17           HA       THR  17  -4.480   0.535  -1.856
  104    HB   THR  17           HB       THR  17  -5.615   2.694  -2.395
  105    HG1  THR  17           HG1      THR  17  -6.650   2.366  -4.689
  106   HG21  THR  17          3HG2      THR  17  -4.344   1.283  -4.741
  107   HG22  THR  17          1HG2      THR  17  -3.493   2.154  -3.464
  108   HG23  THR  17          2HG2      THR  17  -4.543   3.027  -4.578
  109    H    TRP  18           H        TRP  18  -7.614  -0.726  -2.439
  110    HA   TRP  18           HA       TRP  18  -9.043   0.499  -0.335
  111    HB2  TRP  18           HB2      TRP  18 -10.026  -0.770  -2.280
  112    HB3  TRP  18           HB3      TRP  18  -9.505  -2.257  -1.498
  113    HD1  TRP  18           HD1      TRP  18 -12.190   0.412  -1.374
  114    HE1  TRP  18           HE1      TRP  18 -14.029  -0.319   0.272
  115    HE3  TRP  18           HE3      TRP  18  -9.845  -3.610   0.751
  116    HZ2  TRP  18           HZ2      TRP  18 -14.429  -2.317   2.223
  117    HZ3  TRP  18           HZ3      TRP  18 -11.024  -4.869   2.502
  118    HH2  TRP  18           HH2      TRP  18 -13.264  -4.238   3.222
  119    H    TYR  19           H        TYR  19  -7.482  -2.699  -0.582
  120    HA   TYR  19           HA       TYR  19  -7.921  -3.514   2.056
  121    HB2  TYR  19           HB2      TYR  19  -7.227  -5.097   0.385
  122    HB3  TYR  19           HB3      TYR  19  -5.734  -4.215   0.093
  123    HD1  TYR  19           HD2      TYR  19  -7.532  -6.060   2.802
  124    HD2  TYR  19           HD1      TYR  19  -3.796  -4.890   1.138
  125    HE1  TYR  19           HE2      TYR  19  -6.363  -7.487   4.432
  126    HE2  TYR  19           HE1      TYR  19  -2.622  -6.312   2.756
  127    HH   TYR  19           HH       TYR  19  -2.867  -7.431   4.736
  128    H    VAL  20           H        VAL  20  -5.256  -1.714   0.618
  129    HA   VAL  20           HA       VAL  20  -3.583  -1.505   2.829
  130    HB   VAL  20           HB       VAL  20  -4.076   0.459   0.589
  131   HG11  VAL  20          2HG1      VAL  20  -1.920   1.459   1.196
  132   HG12  VAL  20          1HG1      VAL  20  -1.853   0.423   2.623
  133   HG13  VAL  20          3HG1      VAL  20  -3.119   1.641   2.475
  134   HG21  VAL  20          3HG2      VAL  20  -2.008  -0.462  -0.333
  135   HG22  VAL  20          2HG2      VAL  20  -3.232  -1.714  -0.121
  136   HG23  VAL  20          1HG2      VAL  20  -1.899  -1.582   1.026
  137    H    TYR  21           H        TYR  21  -6.204   0.676   1.798
  138    HA   TYR  21           HA       TYR  21  -5.857   2.593   3.817
  139    HB2  TYR  21           HB2      TYR  21  -7.162   2.801   1.648
  140    HB3  TYR  21           HB3      TYR  21  -8.461   1.929   2.447
  141    HD1  TYR  21           HD1      TYR  21  -6.283   4.899   2.971
  142    HD2  TYR  21           HD2      TYR  21 -10.118   3.147   3.487
  143    HE1  TYR  21           HE1      TYR  21  -7.122   7.023   3.862
  144    HE2  TYR  21           HE2      TYR  21 -10.973   5.266   4.383
  145    HH   TYR  21           HH       TYR  21 -10.168   7.305   5.409
  146    H    ASP  22           H        ASP  22  -7.921  -0.268   3.633
  147    HA   ASP  22           HA       ASP  22  -9.320   0.090   6.039
  148    HB2  ASP  22           HB2      ASP  22 -10.056  -1.534   4.411
  149    HB3  ASP  22           HB3      ASP  22  -8.556  -2.437   4.565
  150    H    LYS  23           H        LYS  23  -6.320  -1.657   5.354
  151    HA   LYS  23           HA       LYS  23  -6.015  -2.693   7.969
  152    HB2  LYS  23           HB2      LYS  23  -3.983  -2.319   5.770
  153    HB3  LYS  23           HB3      LYS  23  -3.689  -3.221   7.251
  154    HG2  LYS  23           HG2      LYS  23  -5.821  -3.874   5.226
  155    HG3  LYS  23           HG3      LYS  23  -4.250  -4.667   5.348
  156    HD2  LYS  23           HD2      LYS  23  -6.193  -4.561   7.642
  157    HD3  LYS  23           HD3      LYS  23  -6.213  -5.853   6.440
  158    HE2  LYS  23           HE2      LYS  23  -3.932  -6.449   7.000
  159    HE3  LYS  23           HE3      LYS  23  -3.836  -5.109   8.141
  160    HZ1  LYS  23           HZ1      LYS  23  -5.237  -6.152   9.625
  161    HZ2  LYS  23           HZ2      LYS  23  -4.355  -7.467   9.006
  162    HZ3  LYS  23           HZ3      LYS  23  -5.926  -7.162   8.448
  163    H    VAL  24           H        VAL  24  -4.952   0.323   6.504
  164    HA   VAL  24           HA       VAL  24  -3.144   0.905   8.682
  165    HB   VAL  24           HB       VAL  24  -2.808   3.086   7.635
  166   HG11  VAL  24          2HG1      VAL  24  -2.742   0.783   5.692
  167   HG12  VAL  24          1HG1      VAL  24  -1.486   1.220   6.852
  168   HG13  VAL  24          3HG1      VAL  24  -1.859   2.300   5.508
  169   HG21  VAL  24          3HG2      VAL  24  -4.927   2.196   5.683
  170   HG22  VAL  24          2HG2      VAL  24  -3.904   3.622   5.497
  171   HG23  VAL  24          1HG2      VAL  24  -5.049   3.527   6.833
  172    H    GLY  25           H        GLY  25  -6.436   0.939   8.463
  173    HA2  GLY  25           HA1      GLY  25  -7.763   1.484  10.342
  174    HA3  GLY  25           HA2      GLY  25  -6.540   2.640  10.842
  175    H    GLY  26           H        GLY  26  -6.888   3.228   7.671
  176    HA2  GLY  26           HA1      GLY  26  -8.182   4.639   6.386
  177    HA3  GLY  26           HA2      GLY  26  -9.403   4.600   7.645
  178    H    GLU  27           H        GLU  27  -6.409   5.480   8.937
  179    HA   GLU  27           HA       GLU  27  -7.254   8.227   9.225
  180    HB2  GLU  27           HB2      GLU  27  -6.073   6.963  11.038
  181    HB3  GLU  27           HB3      GLU  27  -4.629   6.960  10.042
  182    HG2  GLU  27           HG2      GLU  27  -4.436   8.689  11.673
  183    HG3  GLU  27           HG3      GLU  27  -4.650   9.436  10.090
  184    H    ILE  28           H        ILE  28  -5.116   6.402   7.219
  185    HA   ILE  28           HA       ILE  28  -4.040   8.886   6.089
  186    HB   ILE  28           HB       ILE  28  -2.052   8.103   6.757
  187   HG12  ILE  28          2HG1      ILE  28  -2.348   7.424   4.188
  188   HG13  ILE  28          3HG1      ILE  28  -0.857   7.117   5.073
  189   HG21  ILE  28          2HG2      ILE  28  -1.601   5.780   7.451
  190   HG22  ILE  28          1HG2      ILE  28  -3.237   5.343   6.952
  191   HG23  ILE  28          3HG2      ILE  28  -2.993   6.493   8.266
  192   HD11  ILE  28          3HD1      ILE  28  -1.542   5.201   3.716
  193   HD12  ILE  28          2HD1      ILE  28  -3.073   5.120   4.593
  194   HD13  ILE  28          1HD1      ILE  28  -1.553   4.805   5.435
  195    H    GLY  29           H        GLY  29  -4.532   9.257   4.023
  196    HA2  GLY  29           HA1      GLY  29  -4.036   8.519   1.788
  197    HA3  GLY  29           HA2      GLY  29  -4.557   6.914   2.253
  198    H    SER  30           H        SER  30  -6.586   9.484   3.285
  199    HA   SER  30           HA       SER  30  -8.696   8.552   1.585
  200    HB2  SER  30           HB2      SER  30  -9.932  10.502   2.704
  201    HB3  SER  30           HB3      SER  30  -9.354   9.209   3.756
  202    HG   SER  30           HG       SER  30  -8.835  11.239   4.619
  203    H    THR  31           H        THR  31  -6.694   9.414  -0.103
  204    HA   THR  31           HA       THR  31  -7.880  11.396  -1.699
  205    HB   THR  31           HB       THR  31  -7.291  12.892   0.144
  206    HG1  THR  31           HG1      THR  31  -6.088  14.410  -1.097
  207   HG21  THR  31          3HG2      THR  31  -5.382  11.644   1.025
  208   HG22  THR  31          1HG2      THR  31  -4.963  13.328   0.720
  209   HG23  THR  31          2HG2      THR  31  -4.438  12.072  -0.401
  210    H    TRP  32           H        TRP  32  -5.497   9.072  -1.176
  211    HA   TRP  32           HA       TRP  32  -3.397  10.169  -2.739
  212    HB2  TRP  32           HB2      TRP  32  -2.295   8.019  -2.545
  213    HB3  TRP  32           HB3      TRP  32  -2.956   8.513  -0.992
  214    HD1  TRP  32           HD1      TRP  32  -4.828   6.723  -3.826
  215    HE1  TRP  32           HE1      TRP  32  -5.756   4.544  -2.945
  216    HE3  TRP  32           HE3      TRP  32  -2.737   6.857   0.807
  217    HZ2  TRP  32           HZ2      TRP  32  -5.615   3.003  -0.535
  218    HZ3  TRP  32           HZ3      TRP  32  -3.172   4.980   2.351
  219    HH2  TRP  32           HH2      TRP  32  -4.580   3.097   1.690
  220    H    GLY  33           H        GLY  33  -6.295   8.637  -3.681
  221    HA2  GLY  33           HA1      GLY  33  -7.037   8.291  -5.877
  222    HA3  GLY  33           HA2      GLY  33  -5.391   8.567  -6.426
  223    H    ASN  34           H        ASN  34  -4.258   6.910  -7.093
  224    HA   ASN  34           HA       ASN  34  -4.956   4.221  -6.161
  225    HB2  ASN  34           HB2      ASN  34  -5.916   4.337  -8.332
  226    HB3  ASN  34           HB3      ASN  34  -4.555   5.249  -8.955
  227   HD21  ASN  34          1HD2      ASN  34  -2.796   4.239  -9.681
  228   HD22  ASN  34          2HD2      ASN  34  -2.689   2.519  -9.890
  229    H    ALA  35           H        ALA  35  -3.043   2.704  -6.939
  230    HA   ALA  35           HA       ALA  35  -0.997   3.240  -5.203
  231    HB1  ALA  35           HB1      ALA  35  -1.550   1.026  -6.052
  232    HB2  ALA  35           HB2      ALA  35  -0.879   1.459  -7.625
  233    HB3  ALA  35           HB3      ALA  35   0.172   1.369  -6.212
  234    H    ASN  36           H        ASN  36  -0.920   3.808  -8.742
  235    HA   ASN  36           HA       ASN  36   1.898   4.439  -8.577
  236    HB2  ASN  36           HB2      ASN  36   1.879   4.643 -10.962
  237    HB3  ASN  36           HB3      ASN  36   0.917   3.233 -10.530
  238   HD21  ASN  36          1HD2      ASN  36   0.887   4.787 -12.947
  239   HD22  ASN  36          2HD2      ASN  36  -0.723   5.400 -13.125
  240    H    ASN  37           H        ASN  37  -0.801   6.180  -7.883
  241    HA   ASN  37           HA       ASN  37   0.500   8.728  -8.608
  242    HB2  ASN  37           HB2      ASN  37  -1.800   8.328  -9.556
  243    HB3  ASN  37           HB3      ASN  37  -2.417   8.275  -7.911
  244   HD21  ASN  37          1HD2      ASN  37  -2.802  10.154  -6.842
  245   HD22  ASN  37          2HD2      ASN  37  -2.587  11.729  -7.542
  246    H    TRP  38           H        TRP  38   0.570   6.682  -6.256
  247    HA   TRP  38           HA       TRP  38  -0.556   7.716  -3.970
  248    HB2  TRP  38           HB2      TRP  38   1.451   5.738  -4.615
  249    HB3  TRP  38           HB3      TRP  38   1.846   6.590  -3.117
  250    HD1  TRP  38           HD1      TRP  38  -1.663   5.556  -4.383
  251    HE1  TRP  38           HE1      TRP  38  -2.754   4.140  -2.562
  252    HE3  TRP  38           HE3      TRP  38   2.277   5.268  -1.161
  253    HZ2  TRP  38           HZ2      TRP  38  -2.029   3.065   0.001
  254    HZ3  TRP  38           HZ3      TRP  38   2.008   4.039   0.935
  255    HH2  TRP  38           HH2      TRP  38  -0.098   2.956   1.494
  256    H    ALA  39           H        ALA  39   2.896   8.089  -4.816
  257    HA   ALA  39           HA       ALA  39   3.585   9.713  -2.698
  258    HB1  ALA  39           HB1      ALA  39   4.780   9.865  -5.457
  259    HB2  ALA  39           HB2      ALA  39   5.549  10.323  -3.938
  260    HB3  ALA  39           HB3      ALA  39   5.169   8.631  -4.258
  261    H    ALA  40           H        ALA  40   2.211  10.665  -5.796
  262    HA   ALA  40           HA       ALA  40   2.647  13.450  -5.497
  263    HB1  ALA  40           HB1      ALA  40   0.626  12.009  -7.204
  264    HB2  ALA  40           HB2      ALA  40   1.150  13.683  -7.395
  265    HB3  ALA  40           HB3      ALA  40   2.291  12.362  -7.663
  266    H    ALA  41           H        ALA  41  -0.232  11.415  -5.003
  267    HA   ALA  41           HA       ALA  41  -1.829  13.641  -4.154
  268    HB1  ALA  41           HB1      ALA  41  -3.543  11.935  -3.687
  269    HB2  ALA  41           HB2      ALA  41  -2.860  11.782  -5.306
  270    HB3  ALA  41           HB3      ALA  41  -2.359  10.673  -4.029
  271    H    ALA  42           H        ALA  42  -0.080  11.037  -2.557
  272    HA   ALA  42           HA       ALA  42  -1.062  11.379   0.062
  273    HB1  ALA  42           HB1      ALA  42   0.182   9.412  -0.600
  274    HB2  ALA  42           HB2      ALA  42   1.624  10.388  -0.892
  275    HB3  ALA  42           HB3      ALA  42   0.997  10.209   0.745
  276    H    GLN  43           H        GLN  43   1.843  12.734  -1.527
  277    HA   GLN  43           HA       GLN  43   2.710  14.226   0.705
  278    HB2  GLN  43           HB2      GLN  43   3.256  14.552  -2.246
  279    HB3  GLN  43           HB3      GLN  43   4.032  15.531  -1.008
  280    HG2  GLN  43           HG2      GLN  43   5.002  13.541  -0.014
  281    HG3  GLN  43           HG3      GLN  43   4.185  12.529  -1.205
  282   HE21  GLN  43          1HE2      GLN  43   4.654  14.406  -3.385
  283   HE22  GLN  43          2HE2      GLN  43   6.329  14.269  -3.784
  284    H    GLY  44           H        GLY  44   0.328  14.833  -1.743
  285    HA2  GLY  44           HA1      GLY  44   0.059  17.630  -1.358
  286    HA3  GLY  44           HA2      GLY  44  -1.160  16.562  -2.037
  287    H    ALA  45           H        ALA  45  -1.075  14.868   0.402
  288    HA   ALA  45           HA       ALA  45  -2.953  16.427   1.978
  289    HB1  ALA  45           HB1      ALA  45  -2.084  13.554   2.304
  290    HB2  ALA  45           HB2      ALA  45  -3.457  14.333   3.092
  291    HB3  ALA  45           HB3      ALA  45  -3.459  14.097   1.345
  292    H    GLY  46           H        GLY  46   0.335  15.887   1.964
  293    HA2  GLY  46           HA1      GLY  46   1.819  16.900   3.488
  294    HA3  GLY  46           HA2      GLY  46   0.553  16.870   4.705
  295    H    PHE  47           H        PHE  47   1.192  13.985   2.868
  296    HA   PHE  47           HA       PHE  47   1.957  12.565   5.247
  297    HB2  PHE  47           HB2      PHE  47   1.940  11.700   2.352
  298    HB3  PHE  47           HB3      PHE  47   2.331  10.637   3.692
  299    HD1  PHE  47           HD2      PHE  47  -0.207  12.853   4.726
  300    HD2  PHE  47           HD1      PHE  47   0.484   9.371   2.389
  301    HE1  PHE  47           HE2      PHE  47  -2.591  12.262   4.900
  302    HE2  PHE  47           HE1      PHE  47  -1.889   8.761   2.553
  303    HZ   PHE  47           HZ       PHE  47  -3.431  10.222   3.807
  304    H    THR  48           H        THR  48   3.940  11.357   5.468
  305    HA   THR  48           HA       THR  48   6.234  12.830   4.397
  306    HB   THR  48           HB       THR  48   6.299  10.774   6.602
  307    HG1  THR  48           HG1      THR  48   4.847  12.289   7.365
  308   HG21  THR  48          3HG2      THR  48   8.279  12.036   7.307
  309   HG22  THR  48          1HG2      THR  48   8.054  13.147   5.955
  310   HG23  THR  48          2HG2      THR  48   8.452  11.456   5.650
  311    H    VAL  49           H        VAL  49   7.147  11.973   2.645
  312    HA   VAL  49           HA       VAL  49   7.076   9.043   2.296
  313    HB   VAL  49           HB       VAL  49   7.445  11.152   0.162
  314   HG11  VAL  49          2HG1      VAL  49   7.049   9.296  -1.397
  315   HG12  VAL  49          1HG1      VAL  49   6.979   8.178  -0.035
  316   HG13  VAL  49          3HG1      VAL  49   8.482   9.028  -0.405
  317   HG21  VAL  49          3HG2      VAL  49   5.154  10.598  -0.534
  318   HG22  VAL  49          2HG2      VAL  49   5.203  11.291   1.088
  319   HG23  VAL  49          1HG2      VAL  49   4.989   9.553   0.879
  320    H    ASN  50           H        ASN  50   8.948   8.036   2.597
  321    HA   ASN  50           HA       ASN  50  11.458   9.462   1.970
  322    HB2  ASN  50           HB2      ASN  50  11.080   7.466   4.209
  323    HB3  ASN  50           HB3      ASN  50  12.533   8.391   3.859
  324   HD21  ASN  50          1HD2      ASN  50  10.726   8.157   6.213
  325   HD22  ASN  50          2HD2      ASN  50  10.339   9.793   6.628
  326    H    HIS  51           H        HIS  51   9.531   7.192   0.920
  327    HA   HIS  51           HA       HIS  51   9.568   5.051   0.200
  328    HB2  HIS  51           HB2      HIS  51  11.253   4.690  -1.645
  329    HB3  HIS  51           HB3      HIS  51  10.243   6.115  -1.798
  330    HD1  HIS  51           HD1      HIS  51  13.768   5.010  -1.521
  331    HD2  HIS  51           HD2      HIS  51  11.626   8.577  -1.514
  332    HE1  HIS  51           HE1      HIS  51  15.466   6.826  -1.914
  333    HE2  HIS  51           HE2      HIS  51  14.108   8.943  -2.116
  334    H    THR  52           H        THR  52   9.937   4.143   2.249
  335    HA   THR  52           HA       THR  52  12.075   2.246   2.279
  336    HB   THR  52           HB       THR  52  11.986   4.298   4.529
  337    HG1  THR  52           HG1      THR  52  13.179   4.521   2.223
  338   HG21  THR  52          3HG2      THR  52  13.964   3.106   5.378
  339   HG22  THR  52          1HG2      THR  52  13.819   1.931   4.070
  340   HG23  THR  52          2HG2      THR  52  12.558   2.045   5.299
  341    HA   PRO  53           HA       PRO  53   8.066   0.683   3.892
  342    HB2  PRO  53           HB2      PRO  53   8.937  -1.947   3.937
  343    HB3  PRO  53           HB3      PRO  53   8.166  -1.156   2.559
  344    HG2  PRO  53           HG2      PRO  53  11.077  -1.586   3.114
  345    HG3  PRO  53           HG3      PRO  53  10.188  -1.761   1.587
  346    HD2  PRO  53           HD2      PRO  53  11.673   0.397   2.039
  347    HD3  PRO  53           HD3      PRO  53  10.091   0.536   1.234
  348    H    SER  54           H        SER  54   7.371  -0.361   5.820
  349    HA   SER  54           HA       SER  54   9.220  -1.016   7.908
  350    HB2  SER  54           HB2      SER  54   7.580   1.530   8.151
  351    HB3  SER  54           HB3      SER  54   8.539   0.803   9.439
  352    HG   SER  54           HG       SER  54  10.096   1.117   7.290
  353    H    LYS  55           H        LYS  55   8.002  -1.560   9.937
  354    HA   LYS  55           HA       LYS  55   5.769  -3.180   9.279
  355    HB2  LYS  55           HB2      LYS  55   7.355  -3.697  11.110
  356    HB3  LYS  55           HB3      LYS  55   6.762  -2.303  12.002
  357    HG2  LYS  55           HG2      LYS  55   4.578  -3.309  12.207
  358    HG3  LYS  55           HG3      LYS  55   5.081  -4.672  11.210
  359    HD2  LYS  55           HD2      LYS  55   5.223  -5.480  13.398
  360    HD3  LYS  55           HD3      LYS  55   6.885  -5.070  12.981
  361    HE2  LYS  55           HE2      LYS  55   5.046  -3.224  14.496
  362    HE3  LYS  55           HE3      LYS  55   6.122  -4.376  15.280
  363    HZ1  LYS  55           HZ1      LYS  55   6.895  -2.065  13.584
  364    HZ2  LYS  55           HZ2      LYS  55   7.989  -3.249  14.102
  365    HZ3  LYS  55           HZ3      LYS  55   7.195  -2.274  15.237
  366    H    GLY  56           H        GLY  56   3.840  -2.370   8.748
  367    HA2  GLY  56           HA1      GLY  56   1.769  -1.439   9.506
  368    HA3  GLY  56           HA2      GLY  56   2.676  -0.321  10.513
  369    H    ALA  57           H        ALA  57   4.300  -0.397   7.689
  370    HA   ALA  57           HA       ALA  57   2.953   2.026   6.737
  371    HB1  ALA  57           HB1      ALA  57   5.346   2.207   7.193
  372    HB2  ALA  57           HB2      ALA  57   5.669   0.917   6.033
  373    HB3  ALA  57           HB3      ALA  57   5.000   2.451   5.481
  374    H    ILE  58           H        ILE  58   3.816   2.026   4.084
  375    HA   ILE  58           HA       ILE  58   2.643  -0.401   2.934
  376    HB   ILE  58           HB       ILE  58   1.840   2.349   1.985
  377   HG12  ILE  58          2HG1      ILE  58  -0.473   1.442   2.928
  378   HG13  ILE  58          3HG1      ILE  58   0.589   0.566   4.027
  379   HG21  ILE  58          2HG2      ILE  58   0.840  -0.415   1.326
  380   HG22  ILE  58          1HG2      ILE  58   1.736   0.680   0.268
  381   HG23  ILE  58          3HG2      ILE  58   0.096   1.087   0.770
  382   HD11  ILE  58          3HD1      ILE  58  -0.169   2.654   5.006
  383   HD12  ILE  58          2HD1      ILE  58   0.514   3.553   3.651
  384   HD13  ILE  58          1HD1      ILE  58   1.575   2.676   4.753
  385    H    LEU  59           H        LEU  59   3.346  -0.892   0.865
  386    HA   LEU  59           HA       LEU  59   5.882   0.321   0.105
  387    HB2  LEU  59           HB2      LEU  59   5.380  -2.177   0.275
  388    HB3  LEU  59           HB3      LEU  59   4.461  -1.989  -1.202
  389    HG   LEU  59           HG       LEU  59   6.708  -0.975  -2.100
  390   HD11  LEU  59          2HD1      LEU  59   7.845  -0.995   0.054
  391   HD12  LEU  59          1HD1      LEU  59   8.663  -2.041  -1.103
  392   HD13  LEU  59          3HD1      LEU  59   7.643  -2.743   0.149
  393   HD21  LEU  59          3HD2      LEU  59   7.299  -3.179  -2.917
  394   HD22  LEU  59          2HD2      LEU  59   5.550  -2.963  -2.938
  395   HD23  LEU  59          1HD2      LEU  59   6.305  -3.925  -1.668
  396    H    GLN  60           H        GLN  60   6.303   0.860  -2.182
  397    HA   GLN  60           HA       GLN  60   4.009   1.188  -3.926
  398    HB2  GLN  60           HB2      GLN  60   3.763   3.316  -3.086
  399    HB3  GLN  60           HB3      GLN  60   5.459   3.469  -2.657
  400    HG2  GLN  60           HG2      GLN  60   5.034   5.017  -4.392
  401    HG3  GLN  60           HG3      GLN  60   5.973   3.701  -5.100
  402   HE21  GLN  60          1HE2      GLN  60   4.264   5.659  -6.392
  403   HE22  GLN  60          2HE2      GLN  60   3.042   4.761  -7.224
  404    H    SER  61           H        SER  61   4.494   0.577  -5.817
  405    HA   SER  61           HA       SER  61   7.142   1.160  -6.935
  406    HB2  SER  61           HB2      SER  61   7.094  -1.221  -6.211
  407    HB3  SER  61           HB3      SER  61   5.689  -1.484  -7.245
  408    HG   SER  61           HG       SER  61   7.057  -1.818  -8.797
  409    H    SER  62           H        SER  62   6.463   2.741  -8.292
  410    HA   SER  62           HA       SER  62   4.053   2.441  -9.852
  411    HB2  SER  62           HB2      SER  62   4.854   4.657  -8.939
  412    HB3  SER  62           HB3      SER  62   6.179   4.586 -10.099
  413    HG   SER  62           HG       SER  62   4.858   5.234 -11.592
  414    H    GLU  63           H        GLU  63   4.345   0.732 -11.190
  415    HA   GLU  63           HA       GLU  63   6.586   0.845 -13.089
  416    HB2  GLU  63           HB2      GLU  63   6.618  -1.656 -12.976
  417    HB3  GLU  63           HB3      GLU  63   7.083  -0.867 -11.474
  418    HG2  GLU  63           HG2      GLU  63   4.794  -1.216 -10.622
  419    HG3  GLU  63           HG3      GLU  63   4.409  -2.093 -12.101
  420    H    GLY  64           H        GLY  64   3.618   1.559 -13.160
  421    HA2  GLY  64           HA1      GLY  64   3.047   0.892 -15.778
  422    HA3  GLY  64           HA2      GLY  64   2.347  -0.388 -14.800
  423    HA   PRO  65           HA       PRO  65  -0.828   2.914 -15.401
  424    HB2  PRO  65           HB2      PRO  65  -2.933   1.182 -15.481
  425    HB3  PRO  65           HB3      PRO  65  -1.962   1.604 -16.896
  426    HG2  PRO  65           HG2      PRO  65  -1.795  -0.811 -15.134
  427    HG3  PRO  65           HG3      PRO  65  -1.698  -0.703 -16.902
  428    HD2  PRO  65           HD2      PRO  65   0.498  -0.958 -15.355
  429    HD3  PRO  65           HD3      PRO  65   0.508  -0.025 -16.868
  430    H    PHE  66           H        PHE  66  -0.864   0.144 -13.212
  431    HA   PHE  66           HA       PHE  66  -2.395   1.771 -11.312
  432    HB2  PHE  66           HB2      PHE  66  -2.141  -1.235 -11.510
  433    HB3  PHE  66           HB3      PHE  66  -2.947  -0.400 -10.186
  434    HD1  PHE  66           HD2      PHE  66  -4.876   1.201 -10.838
  435    HD2  PHE  66           HD1      PHE  66  -3.335  -1.835 -13.396
  436    HE1  PHE  66           HE2      PHE  66  -6.963   1.239 -12.139
  437    HE2  PHE  66           HE1      PHE  66  -5.418  -1.792 -14.704
  438    HZ   PHE  66           HZ       PHE  66  -7.238  -0.257 -14.073
  439    H    GLY  67           H        GLY  67   0.265  -0.604 -11.432
  440    HA2  GLY  67           HA1      GLY  67   2.306  -0.476 -10.318
  441    HA3  GLY  67           HA2      GLY  67   1.741   0.981  -9.514
  442    H    HIS  68           H        HIS  68   2.997  -0.363  -7.796
  443    HA   HIS  68           HA       HIS  68   1.125  -2.214  -6.451
  444    HB2  HIS  68           HB2      HIS  68   4.133  -2.042  -6.343
  445    HB3  HIS  68           HB3      HIS  68   3.194  -2.935  -5.161
  446    HD1  HIS  68           HD1      HIS  68   2.224  -5.201  -5.826
  447    HD2  HIS  68           HD2      HIS  68   4.311  -3.277  -8.878
  448    HE1  HIS  68           HE1      HIS  68   2.622  -6.948  -7.593
  449    HE2  HIS  68           HE2      HIS  68   4.114  -5.822  -9.286
  450    H    VAL  69           H        VAL  69   0.038  -0.927  -4.901
  451    HA   VAL  69           HA       VAL  69   1.978  -0.081  -2.875
  452    HB   VAL  69           HB       VAL  69   0.160   1.196  -1.779
  453   HG11  VAL  69          2HG1      VAL  69   0.246   3.066  -3.358
  454   HG12  VAL  69          1HG1      VAL  69   0.806   1.967  -4.620
  455   HG13  VAL  69          3HG1      VAL  69   1.812   2.268  -3.204
  456   HG21  VAL  69          3HG2      VAL  69  -1.853   1.756  -3.043
  457   HG22  VAL  69          2HG2      VAL  69  -1.768   0.023  -2.736
  458   HG23  VAL  69          1HG2      VAL  69  -1.363   0.657  -4.332
  459    H    ALA  70           H        ALA  70   2.328  -1.615  -1.534
  460    HA   ALA  70           HA       ALA  70   0.128  -3.428  -0.818
  461    HB1  ALA  70           HB1      ALA  70   3.067  -4.081  -0.999
  462    HB2  ALA  70           HB2      ALA  70   1.779  -5.198  -0.546
  463    HB3  ALA  70           HB3      ALA  70   1.839  -4.538  -2.181
  464    H    TYR  71           H        TYR  71  -0.332  -3.589   1.273
  465    HA   TYR  71           HA       TYR  71   0.887  -1.737   3.053
  466    HB2  TYR  71           HB2      TYR  71  -1.359  -1.965   3.481
  467    HB3  TYR  71           HB3      TYR  71  -1.354  -3.702   3.177
  468    HD1  TYR  71           HD1      TYR  71  -0.357  -1.130   5.671
  469    HD2  TYR  71           HD2      TYR  71  -1.210  -5.233   4.924
  470    HE1  TYR  71           HE1      TYR  71  -0.313  -1.573   8.091
  471    HE2  TYR  71           HE2      TYR  71  -1.169  -5.686   7.339
  472    HH   TYR  71           HH       TYR  71  -0.327  -4.795   9.361
  473    H    VAL  72           H        VAL  72   2.585  -1.995   4.268
  474    HA   VAL  72           HA       VAL  72   4.025  -4.489   4.223
  475    HB   VAL  72           HB       VAL  72   4.757  -1.985   5.748
  476   HG11  VAL  72          2HG1      VAL  72   6.383  -4.313   4.736
  477   HG12  VAL  72          1HG1      VAL  72   6.035  -3.903   6.420
  478   HG13  VAL  72          3HG1      VAL  72   7.063  -2.846   5.448
  479   HG21  VAL  72          3HG2      VAL  72   4.372  -1.412   3.401
  480   HG22  VAL  72          2HG2      VAL  72   5.486  -2.689   2.906
  481   HG23  VAL  72          1HG2      VAL  72   6.082  -1.302   3.822
  482    H    GLU  73           H        GLU  73   3.401  -6.038   5.557
  483    HA   GLU  73           HA       GLU  73   2.036  -5.568   8.006
  484    HB2  GLU  73           HB2      GLU  73   3.419  -8.071   7.012
  485    HB3  GLU  73           HB3      GLU  73   2.279  -7.992   8.349
  486    HG2  GLU  73           HG2      GLU  73   0.506  -7.332   6.845
  487    HG3  GLU  73           HG3      GLU  73   1.634  -7.307   5.490
  488    H    SER  74           H        SER  74   5.354  -6.014   7.062
  489    HA   SER  74           HA       SER  74   6.563  -5.003   9.313
  490    HB2  SER  74           HB2      SER  74   7.413  -7.146  10.380
  491    HB3  SER  74           HB3      SER  74   5.711  -6.783  10.669
  492    HG   SER  74           HG       SER  74   5.388  -8.185   8.708
  493    H    VAL  75           H        VAL  75   8.863  -5.200   9.250
  494    HA   VAL  75           HA       VAL  75   9.921  -6.210   6.727
  495    HB   VAL  75           HB       VAL  75  10.647  -3.973   7.446
  496   HG11  VAL  75          2HG1      VAL  75  12.115  -3.687   9.386
  497   HG12  VAL  75          1HG1      VAL  75  11.856  -5.375   9.822
  498   HG13  VAL  75          3HG1      VAL  75  10.505  -4.241   9.847
  499   HG21  VAL  75          3HG2      VAL  75  13.083  -4.290   7.234
  500   HG22  VAL  75          2HG2      VAL  75  12.173  -5.248   6.065
  501   HG23  VAL  75          1HG2      VAL  75  12.864  -6.019   7.495
  502    H    ASN  76           H        ASN  76  11.583  -7.779   6.658
  503    HA   ASN  76           HA       ASN  76  11.345  -9.706   8.822
  504    HB2  ASN  76           HB2      ASN  76  12.659  -9.967   6.106
  505    HB3  ASN  76           HB3      ASN  76  12.437 -11.276   7.263
  506   HD21  ASN  76          1HD2      ASN  76  11.472 -11.058   4.556
  507   HD22  ASN  76          2HD2      ASN  76   9.748 -11.178   4.632
  508    H    SER  77           H        SER  77  13.410 -11.032   9.196
  509    HA   SER  77           HA       SER  77  15.213  -9.314  10.529
  510    HB2  SER  77           HB2      SER  77  16.449 -11.528  10.914
  511    HB3  SER  77           HB3      SER  77  14.794 -11.414  11.516
  512    HG   SER  77           HG       SER  77  15.480 -13.356  10.201
  513    H    ASP  78           H        ASP  78  15.294 -10.860   7.396
  514    HA   ASP  78           HA       ASP  78  18.150 -10.571   7.094
  515    HB2  ASP  78           HB2      ASP  78  17.917 -11.664   5.038
  516    HB3  ASP  78           HB3      ASP  78  16.627 -12.365   6.011
  517    H    GLY  79           H        GLY  79  15.339  -8.680   6.415
  518    HA2  GLY  79           HA1      GLY  79  15.930  -6.260   6.060
  519    HA3  GLY  79           HA2      GLY  79  16.981  -6.849   4.779
  520    H    SER  80           H        SER  80  14.790  -8.940   4.237
  521    HA   SER  80           HA       SER  80  13.421  -7.432   2.227
  522    HB2  SER  80           HB2      SER  80  12.815 -10.225   3.228
  523    HB3  SER  80           HB3      SER  80  12.327  -9.528   1.683
  524    HG   SER  80           HG       SER  80  14.897 -10.325   2.561
  525    H    VAL  81           H        VAL  81  11.037  -7.245   2.102
  526    HA   VAL  81           HA       VAL  81   9.888  -7.014   4.805
  527    HB   VAL  81           HB       VAL  81   8.428  -5.211   3.950
  528   HG11  VAL  81          2HG1      VAL  81  10.471  -4.646   5.131
  529   HG12  VAL  81          1HG1      VAL  81  10.159  -3.472   3.853
  530   HG13  VAL  81          3HG1      VAL  81  11.386  -4.717   3.624
  531   HG21  VAL  81          3HG2      VAL  81   8.972  -4.127   1.815
  532   HG22  VAL  81          2HG2      VAL  81   8.410  -5.782   1.591
  533   HG23  VAL  81          1HG2      VAL  81  10.129  -5.411   1.468
  534    H    THR  82           H        THR  82   7.924  -7.820   5.230
  535    HA   THR  82           HA       THR  82   6.667  -9.476   3.176
  536    HB   THR  82           HB       THR  82   6.168  -9.321   6.161
  537    HG1  THR  82           HG1      THR  82   7.919 -10.537   6.139
  538   HG21  THR  82          3HG2      THR  82   4.151 -10.005   4.953
  539   HG22  THR  82          1HG2      THR  82   4.840 -11.363   5.842
  540   HG23  THR  82          2HG2      THR  82   5.075 -11.242   4.098
  541    H    ILE  83           H        ILE  83   4.943  -8.746   2.113
  542    HA   ILE  83           HA       ILE  83   3.376  -6.550   3.292
  543    HB   ILE  83           HB       ILE  83   3.252  -5.520   1.020
  544   HG12  ILE  83          2HG1      ILE  83   5.483  -7.471   0.406
  545   HG13  ILE  83          3HG1      ILE  83   3.853  -7.532  -0.260
  546   HG21  ILE  83          2HG2      ILE  83   6.005  -5.743   2.231
  547   HG22  ILE  83          1HG2      ILE  83   4.744  -4.600   2.696
  548   HG23  ILE  83          3HG2      ILE  83   5.486  -4.492   1.101
  549   HD11  ILE  83          3HD1      ILE  83   5.850  -5.327  -0.694
  550   HD12  ILE  83          2HD1      ILE  83   4.224  -5.401  -1.372
  551   HD13  ILE  83          1HD1      ILE  83   5.432  -6.595  -1.846
  552    H    SER  84           H        SER  84   1.241  -6.335   2.502
  553    HA   SER  84           HA       SER  84   0.242  -8.629   0.966
  554    HB2  SER  84           HB2      SER  84  -1.862  -8.410   2.438
  555    HB3  SER  84           HB3      SER  84  -0.437  -9.156   3.160
  556    HG   SER  84           HG       SER  84   0.033  -7.154   4.137
  557    H    GLU  85           H        GLU  85  -0.720  -8.031  -0.817
  558    HA   GLU  85           HA       GLU  85  -2.122  -5.445  -0.929
  559    HB2  GLU  85           HB2      GLU  85  -1.419  -5.497  -3.432
  560    HB3  GLU  85           HB3      GLU  85  -0.244  -4.979  -2.230
  561    HG2  GLU  85           HG2      GLU  85   0.892  -7.053  -2.314
  562    HG3  GLU  85           HG3      GLU  85  -0.402  -7.797  -3.250
  563    H    MET  86           H        MET  86  -4.180  -6.219  -0.747
  564    HA   MET  86           HA       MET  86  -5.091  -8.571  -2.043
  565    HB2  MET  86           HB2      MET  86  -6.141  -7.653  -0.001
  566    HB3  MET  86           HB3      MET  86  -6.711  -6.274  -0.932
  567    HG2  MET  86           HG2      MET  86  -8.129  -7.664  -2.254
  568    HG3  MET  86           HG3      MET  86  -7.446  -9.121  -1.536
  569    HE1  MET  86           HE1      MET  86  -8.843  -9.060   2.086
  570    HE2  MET  86           HE2      MET  86  -7.907  -9.951   0.885
  571    HE3  MET  86           HE3      MET  86  -7.281  -8.443   1.553
  572    H    ASN  87           H        ASN  87  -5.943  -8.886  -3.977
  573    HA   ASN  87           HA       ASN  87  -6.879  -8.582  -6.015
  574    HB2  ASN  87           HB2      ASN  87  -8.408  -6.919  -5.006
  575    HB3  ASN  87           HB3      ASN  87  -7.206  -5.664  -5.275
  576   HD21  ASN  87          1HD2      ASN  87  -6.873  -4.892  -7.361
  577   HD22  ASN  87          2HD2      ASN  87  -7.940  -5.253  -8.672
  578    H    TYR  88           H        TYR  88  -5.014  -5.632  -5.303
  579    HA   TYR  88           HA       TYR  88  -3.350  -4.569  -6.415
  580    HB2  TYR  88           HB2      TYR  88  -1.977  -6.504  -6.197
  581    HB3  TYR  88           HB3      TYR  88  -2.862  -7.365  -7.449
  582    HD1  TYR  88           HD1      TYR  88  -1.011  -4.115  -7.159
  583    HD2  TYR  88           HD2      TYR  88  -1.722  -7.648  -9.419
  584    HE1  TYR  88           HE1      TYR  88   0.630  -3.372  -8.833
  585    HE2  TYR  88           HE2      TYR  88  -0.087  -6.910 -11.100
  586    HH   TYR  88           HH       TYR  88   2.054  -4.308 -10.558
  587    H    SER  89           H        SER  89  -4.325  -6.889  -8.918
  588    HA   SER  89           HA       SER  89  -5.969  -5.150 -10.377
  589    HB2  SER  89           HB2      SER  89  -3.820  -3.953 -10.784
  590    HB3  SER  89           HB3      SER  89  -3.164  -5.427 -11.496
  591    HG   SER  89           HG       SER  89  -5.584  -4.582 -12.543
  592    H    GLY  90           H        GLY  90  -7.286  -6.845 -10.768
  593    HA2  GLY  90           HA1      GLY  90  -7.284  -8.438 -12.856
  594    HA3  GLY  90           HA2      GLY  90  -6.135  -9.312 -11.854
  595    H    GLY  91           H        GLY  91  -6.850 -10.423 -10.042
  596    HA2  GLY  91           HA1      GLY  91  -9.693 -11.086 -10.151
  597    HA3  GLY  91           HA2      GLY  91  -8.446 -11.975  -9.287
  598    HA   PRO  92           HA       PRO  92 -10.553  -8.302  -6.763
  599    HB2  PRO  92           HB2      PRO  92 -13.032  -9.937  -6.640
  600    HB3  PRO  92           HB3      PRO  92 -12.842  -8.183  -6.750
  601    HG2  PRO  92           HG2      PRO  92 -13.615  -9.584  -8.871
  602    HG3  PRO  92           HG3      PRO  92 -12.476  -8.231  -9.043
  603    HD2  PRO  92           HD2      PRO  92 -11.934 -11.177  -9.031
  604    HD3  PRO  92           HD3      PRO  92 -11.234  -9.908 -10.059
  605    H    PHE  93           H        PHE  93  -9.861  -8.499  -4.780
  606    HA   PHE  93           HA       PHE  93  -9.551  -9.186  -2.665
  607    HB2  PHE  93           HB2      PHE  93 -11.503 -11.380  -3.351
  608    HB3  PHE  93           HB3      PHE  93 -10.825 -11.099  -1.749
  609    HD1  PHE  93           HD1      PHE  93 -13.131  -9.827  -4.311
  610    HD2  PHE  93           HD2      PHE  93 -11.573  -9.267  -0.388
  611    HE1  PHE  93           HE1      PHE  93 -14.951  -8.248  -3.816
  612    HE2  PHE  93           HE2      PHE  93 -13.393  -7.689   0.111
  613    HZ   PHE  93           HZ       PHE  93 -15.085  -7.176  -1.603
  614    H    SER  94           H        SER  94  -8.253 -10.575  -5.232
  615    HA   SER  94           HA       SER  94  -7.061 -12.865  -3.994
  616    HB2  SER  94           HB2      SER  94  -5.305 -12.651  -5.796
  617    HB3  SER  94           HB3      SER  94  -6.963 -12.812  -6.401
  618    HG   SER  94           HG       SER  94  -6.986 -10.641  -6.879
  619    H    VAL  95           H        VAL  95  -6.395 -12.177  -1.976
  620    HA   VAL  95           HA       VAL  95  -4.790  -9.936  -1.527
  621    HB   VAL  95           HB       VAL  95  -5.874 -10.915   0.352
  622   HG11  VAL  95          2HG1      VAL  95  -5.373 -13.109   1.240
  623   HG12  VAL  95          1HG1      VAL  95  -4.232 -13.397  -0.073
  624   HG13  VAL  95          3HG1      VAL  95  -5.953 -13.230  -0.422
  625   HG21  VAL  95          3HG2      VAL  95  -2.904 -11.332   0.623
  626   HG22  VAL  95          2HG2      VAL  95  -4.042 -11.147   1.957
  627   HG23  VAL  95          1HG2      VAL  95  -3.765  -9.810   0.840
  628    H    SER  96           H        SER  96  -3.118  -9.700  -2.880
  629    HA   SER  96           HA       SER  96  -1.466 -11.815  -3.773
  630    HB2  SER  96           HB2      SER  96  -1.829  -9.885  -5.179
  631    HB3  SER  96           HB3      SER  96  -1.190  -8.805  -3.947
  632    HG   SER  96           HG       SER  96   0.540  -9.037  -5.137
  633    H    SER  97           H        SER  97   0.106 -12.751  -2.791
  634    HA   SER  97           HA       SER  97   1.258 -11.543  -0.381
  635    HB2  SER  97           HB2      SER  97   1.598 -14.341  -1.487
  636    HB3  SER  97           HB3      SER  97   2.098 -13.775   0.109
  637    HG   SER  97           HG       SER  97  -0.535 -13.277  -0.440
  638    H    ARG  98           H        ARG  98   3.041 -10.366  -0.629
  639    HA   ARG  98           HA       ARG  98   4.961 -11.176  -2.712
  640    HB2  ARG  98           HB2      ARG  98   4.202  -8.350  -1.952
  641    HB3  ARG  98           HB3      ARG  98   5.434  -8.796  -3.122
  642    HG2  ARG  98           HG2      ARG  98   2.522  -9.493  -3.383
  643    HG3  ARG  98           HG3      ARG  98   3.282  -8.085  -4.121
  644    HD2  ARG  98           HD2      ARG  98   4.668  -9.440  -5.486
  645    HD3  ARG  98           HD3      ARG  98   4.225 -10.898  -4.599
  646    HE   ARG  98           HE       ARG  98   1.880 -10.370  -5.508
  647   HH11  ARG  98          2HH1      ARG  98   4.849  -9.597  -7.203
  648   HH12  ARG  98          1HH1      ARG  98   4.162  -9.865  -8.779
  649   HH21  ARG  98          2HH2      ARG  98   0.982 -10.707  -7.579
  650   HH22  ARG  98          1HH2      ARG  98   1.960 -10.466  -8.997
  651    H    THR  99           H        THR  99   7.141 -10.389  -2.363
  652    HA   THR  99           HA       THR  99   7.823  -9.595   0.360
  653    HB   THR  99           HB       THR  99   9.097 -12.016  -0.948
  654    HG1  THR  99           HG1      THR  99   6.888 -11.753   0.608
  655   HG21  THR  99          3HG2      THR  99  10.661 -10.752   0.437
  656   HG22  THR  99          1HG2      THR  99  10.236 -12.273   1.221
  657   HG23  THR  99          2HG2      THR  99   9.509 -10.764   1.772
  658    H    ILE 100           H        ILE 100   9.065  -7.854   0.107
  659    HA   ILE 100           HA       ILE 100  10.398  -7.480  -2.465
  660    HB   ILE 100           HB       ILE 100  10.043  -5.461  -0.255
  661   HG12  ILE 100          2HG1      ILE 100   7.862  -6.148  -1.040
  662   HG13  ILE 100          3HG1      ILE 100   8.227  -4.537  -1.660
  663   HG21  ILE 100          2HG2      ILE 100  10.816  -5.159  -3.150
  664   HG22  ILE 100          1HG2      ILE 100  11.853  -4.901  -1.746
  665   HG23  ILE 100          3HG2      ILE 100  10.486  -3.827  -2.043
  666   HD11  ILE 100          3HD1      ILE 100   8.360  -7.141  -3.172
  667   HD12  ILE 100          2HD1      ILE 100   8.873  -5.583  -3.815
  668   HD13  ILE 100          1HD1      ILE 100   7.183  -5.845  -3.384
  669    H    SER 101           H        SER 101  12.503  -7.624  -2.714
  670    HA   SER 101           HA       SER 101  14.312  -8.163  -0.608
  671    HB2  SER 101           HB2      SER 101  16.024  -7.707  -2.450
  672    HB3  SER 101           HB3      SER 101  14.843  -8.974  -2.789
  673    HG   SER 101           HG       SER 101  14.839  -7.713  -4.580
  674    H    ALA 102           H        ALA 102  15.740  -6.819   0.452
  675    HA   ALA 102           HA       ALA 102  15.036  -4.230   1.055
  676    HB1  ALA 102           HB1      ALA 102  16.581  -5.639   2.358
  677    HB2  ALA 102           HB2      ALA 102  17.828  -5.354   1.144
  678    HB3  ALA 102           HB3      ALA 102  17.201  -4.009   2.094
  679    H    SER 103           H        SER 103  17.139  -5.343  -1.539
  680    HA   SER 103           HA       SER 103  18.336  -2.936  -2.260
  681    HB2  SER 103           HB2      SER 103  18.916  -5.198  -3.162
  682    HB3  SER 103           HB3      SER 103  17.460  -5.127  -4.152
  683    HG   SER 103           HG       SER 103  18.328  -3.561  -5.372
  684    H    GLU 104           H        GLU 104  15.305  -4.360  -3.532
  685    HA   GLU 104           HA       GLU 104  14.734  -1.961  -5.027
  686    HB2  GLU 104           HB2      GLU 104  13.272  -4.556  -4.635
  687    HB3  GLU 104           HB3      GLU 104  12.519  -3.195  -5.456
  688    HG2  GLU 104           HG2      GLU 104  14.419  -3.162  -7.044
  689    HG3  GLU 104           HG3      GLU 104  15.038  -4.623  -6.276
  690    H    ALA 105           H        ALA 105  14.008  -3.208  -1.903
  691    HA   ALA 105           HA       ALA 105  11.640  -1.781  -1.360
  692    HB1  ALA 105           HB1      ALA 105  13.786  -2.637   0.582
  693    HB2  ALA 105           HB2      ALA 105  12.130  -2.187   0.986
  694    HB3  ALA 105           HB3      ALA 105  12.442  -3.638   0.033
  695    H    GLY 106           H        GLY 106  15.044  -0.907  -1.151
  696    HA2  GLY 106           HA1      GLY 106  14.727   1.551   0.199
  697    HA3  GLY 106           HA2      GLY 106  16.075   1.125  -0.846
  698    H    ASN 107           H        ASN 107  14.227   0.651  -3.121
  699    HA   ASN 107           HA       ASN 107  14.114   3.372  -4.093
  700    HB2  ASN 107           HB2      ASN 107  14.901   1.711  -5.646
  701    HB3  ASN 107           HB3      ASN 107  13.494   0.695  -5.362
  702   HD21  ASN 107          1HD2      ASN 107  11.572   1.161  -6.380
  703   HD22  ASN 107          2HD2      ASN 107  11.435   2.329  -7.646
  704    H    TYR 108           H        TYR 108  11.889   0.792  -3.231
  705    HA   TYR 108           HA       TYR 108   9.565   1.956  -4.298
  706    HB2  TYR 108           HB2      TYR 108   9.952  -0.095  -2.123
  707    HB3  TYR 108           HB3      TYR 108   8.375   0.363  -2.754
  708    HD1  TYR 108           HD2      TYR 108  10.187   0.658  -5.585
  709    HD2  TYR 108           HD1      TYR 108   9.002  -2.383  -2.870
  710    HE1  TYR 108           HE2      TYR 108  10.404  -1.021  -7.372
  711    HE2  TYR 108           HE1      TYR 108   9.208  -4.054  -4.634
  712    HH   TYR 108           HH       TYR 108  10.846  -3.613  -7.428
  713    H    ASN 109           H        ASN 109   8.108   3.339  -3.519
  714    HA   ASN 109           HA       ASN 109   8.980   5.016  -1.343
  715    HB2  ASN 109           HB2      ASN 109   6.683   5.196  -3.284
  716    HB3  ASN 109           HB3      ASN 109   6.858   6.319  -1.940
  717   HD21  ASN 109          1HD2      ASN 109   8.047   5.351  -5.030
  718   HD22  ASN 109          2HD2      ASN 109   9.144   6.671  -5.254
  719    H    TYR 110           H        TYR 110   7.488   5.740   0.330
  720    HA   TYR 110           HA       TYR 110   5.218   4.084   0.922
  721    HB2  TYR 110           HB2      TYR 110   5.919   3.145   2.926
  722    HB3  TYR 110           HB3      TYR 110   7.354   2.990   1.931
  723    HD1  TYR 110           HD1      TYR 110   8.637   5.591   2.135
  724    HD2  TYR 110           HD2      TYR 110   6.580   3.348   5.099
  725    HE1  TYR 110           HE1      TYR 110   9.949   6.706   3.881
  726    HE2  TYR 110           HE2      TYR 110   7.880   4.465   6.859
  727    HH   TYR 110           HH       TYR 110  10.158   5.637   7.017
  728    H    ILE 111           H        ILE 111   3.744   5.168   2.250
  729    HA   ILE 111           HA       ILE 111   4.544   7.930   2.842
  730    HB   ILE 111           HB       ILE 111   2.244   8.643   2.426
  731   HG12  ILE 111          2HG1      ILE 111   1.751   5.781   1.575
  732   HG13  ILE 111          3HG1      ILE 111   1.129   6.516   3.047
  733   HG21  ILE 111          2HG2      ILE 111   3.836   8.675   0.570
  734   HG22  ILE 111          1HG2      ILE 111   2.209   8.327  -0.012
  735   HG23  ILE 111          3HG2      ILE 111   3.387   7.024   0.145
  736   HD11  ILE 111          3HD1      ILE 111   0.447   7.299   0.220
  737   HD12  ILE 111          2HD1      ILE 111  -0.153   8.103   1.672
  738   HD13  ILE 111          1HD1      ILE 111  -0.585   6.424   1.354
  739    H    HIS 112           H        HIS 112   4.632   8.364   4.941
  740    HA   HIS 112           HA       HIS 112   2.583   7.104   6.637
  741    HB2  HIS 112           HB2      HIS 112   4.141   6.987   8.505
  742    HB3  HIS 112           HB3      HIS 112   4.775   6.087   7.135
  743    HD1  HIS 112           HD1      HIS 112   5.538   8.854   9.439
  744    HD2  HIS 112           HD2      HIS 112   7.043   7.323   5.863
  745    HE1  HIS 112           HE1      HIS 112   7.833   9.846   9.186
  746    HE2  HIS 112           HE2      HIS 112   8.812   8.665   7.196
  747    H    ILE 113           H        ILE 113   1.766   8.388   8.315
  748    HA   ILE 113           HA       ILE 113   1.177  10.984   7.472
  749    HB   ILE 113           HB       ILE 113   0.873  10.012  10.314
  750   HG12  ILE 113          2HG1      ILE 113  -0.948   9.447   7.960
  751   HG13  ILE 113          3HG1      ILE 113   0.094   8.262   8.741
  752   HG21  ILE 113          2HG2      ILE 113  -1.199  11.376  10.201
  753   HG22  ILE 113          1HG2      ILE 113  -0.715  11.910   8.590
  754   HG23  ILE 113          3HG2      ILE 113   0.276  12.323   9.990
  755   HD11  ILE 113          3HD1      ILE 113  -2.229   8.061   9.456
  756   HD12  ILE 113          2HD1      ILE 113  -2.185   9.717  10.061
  757   HD13  ILE 113          1HD1      ILE 113  -1.166   8.481  10.799
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1 -26.696   7.891   9.153
    2    H2   GLY   1           H2       GLY   1 -25.877   8.796  10.327
    3    H3   GLY   1           H3       GLY   1 -27.327   8.011  10.724
    4    HA2  GLY   1           HA2      GLY   1 -25.499   6.772  11.624
    5    HA3  GLY   1           HA1      GLY   1 -26.284   5.859  10.344
    6    H    SER   2           H        SER   2 -23.720   5.272  11.158
    7    HA   SER   2           HA       SER   2 -21.761   6.560   9.517
    8    HB2  SER   2           HB2      SER   2 -21.223   5.441  11.673
    9    HB3  SER   2           HB3      SER   2 -21.615   3.888  10.939
   10    HG   SER   2           HG       SER   2 -19.708   5.585   9.738
   11    H    SER   3           H        SER   3 -23.449   3.447   9.397
   12    HA   SER   3           HA       SER   3 -23.861   1.966   7.741
   13    HB2  SER   3           HB2      SER   3 -23.440   4.371   5.954
   14    HB3  SER   3           HB3      SER   3 -24.229   2.866   5.483
   15    HG   SER   3           HG       SER   3 -25.503   4.845   6.320
   16    H    ILE   4           H        ILE   4 -21.579   1.329   8.593
   17    HA   ILE   4           HA       ILE   4 -19.657   1.323   6.370
   18    HB   ILE   4           HB       ILE   4 -18.074   0.296   7.985
   19   HG12  ILE   4          2HG1      ILE   4 -20.259   0.831  10.014
   20   HG13  ILE   4          3HG1      ILE   4 -19.764  -0.761   9.451
   21   HG21  ILE   4          2HG2      ILE   4 -18.054   2.690   7.639
   22   HG22  ILE   4          1HG2      ILE   4 -17.717   2.324   9.332
   23   HG23  ILE   4          3HG2      ILE   4 -19.314   2.902   8.855
   24   HD11  ILE   4          3HD1      ILE   4 -17.548  -0.412  10.414
   25   HD12  ILE   4          2HD1      ILE   4 -18.818  -0.262  11.629
   26   HD13  ILE   4          1HD1      ILE   4 -18.045   1.183  10.975
   27    H    SER   5           H        SER   5 -18.495  -0.851   6.069
   28    HA   SER   5           HA       SER   5 -20.531  -2.976   6.126
   29    HB2  SER   5           HB2      SER   5 -19.923  -2.186   3.842
   30    HB3  SER   5           HB3      SER   5 -18.254  -2.671   4.149
   31    HG   SER   5           HG       SER   5 -20.532  -4.233   3.702
   32    H    HIS   6           H        HIS   6 -17.110  -3.292   5.355
   33    HA   HIS   6           HA       HIS   6 -16.726  -4.723   7.907
   34    HB2  HIS   6           HB2      HIS   6 -15.454  -5.351   5.229
   35    HB3  HIS   6           HB3      HIS   6 -15.078  -6.159   6.747
   36    HD1  HIS   6           HD1      HIS   6 -17.349  -6.266   3.896
   37    HD2  HIS   6           HD2      HIS   6 -17.314  -7.688   7.801
   38    HE1  HIS   6           HE1      HIS   6 -19.141  -8.027   3.992
   39    HE2  HIS   6           HE2      HIS   6 -19.233  -8.717   6.413
   40    H    SER   7           H        SER   7 -15.493  -2.589   5.465
   41    HA   SER   7           HA       SER   7 -13.488  -1.649   7.398
   42    HB2  SER   7           HB2      SER   7 -12.492  -2.761   5.375
   43    HB3  SER   7           HB3      SER   7 -13.263  -1.527   4.379
   44    HG   SER   7           HG       SER   7 -11.102  -1.330   6.147
   45    H    GLY   8           H        GLY   8 -13.227   0.605   7.540
   46    HA2  GLY   8           HA1      GLY   8 -15.547   2.148   6.703
   47    HA3  GLY   8           HA2      GLY   8 -14.232   2.708   7.730
   48    H    ASN   9           H        ASN   9 -14.363   1.350   4.452
   49    HA   ASN   9           HA       ASN   9 -12.880   3.714   3.530
   50    HB2  ASN   9           HB2      ASN   9 -11.402   1.730   3.766
   51    HB3  ASN   9           HB3      ASN   9 -12.420   0.867   2.620
   52   HD21  ASN   9          1HD2      ASN   9 -10.389   0.656   1.461
   53   HD22  ASN   9          2HD2      ASN   9  -9.895   1.930   0.403
   54    H    LEU  10           H        LEU  10 -13.285   4.409   1.455
   55    HA   LEU  10           HA       LEU  10 -16.009   3.838   0.609
   56    HB2  LEU  10           HB2      LEU  10 -14.111   5.932  -0.423
   57    HB3  LEU  10           HB3      LEU  10 -15.854   5.894  -0.617
   58    HG   LEU  10           HG       LEU  10 -14.388   6.303   1.990
   59   HD11  LEU  10          2HD1      LEU  10 -15.266   8.585   1.855
   60   HD12  LEU  10          1HD1      LEU  10 -15.918   8.232   0.254
   61   HD13  LEU  10          3HD1      LEU  10 -14.175   8.218   0.520
   62   HD21  LEU  10          3HD2      LEU  10 -17.338   6.379   1.356
   63   HD22  LEU  10          2HD2      LEU  10 -16.607   6.824   2.897
   64   HD23  LEU  10          1HD2      LEU  10 -16.510   5.159   2.325
   65    H    TYR  11           H        TYR  11 -12.888   2.939  -0.283
   66    HA   TYR  11           HA       TYR  11 -13.088   3.122  -3.107
   67    HB2  TYR  11           HB2      TYR  11 -11.070   2.544  -1.253
   68    HB3  TYR  11           HB3      TYR  11 -11.221   1.090  -2.236
   69    HD1  TYR  11           HD1      TYR  11 -10.861   1.209  -4.679
   70    HD2  TYR  11           HD2      TYR  11 -10.171   4.560  -2.159
   71    HE1  TYR  11           HE1      TYR  11  -9.575   2.285  -6.475
   72    HE2  TYR  11           HE2      TYR  11  -8.880   5.649  -3.948
   73    HH   TYR  11           HH       TYR  11  -7.698   5.139  -5.950
   74    H    THR  12           H        THR  12 -12.766   1.160  -4.504
   75    HA   THR  12           HA       THR  12 -15.045  -0.453  -4.444
   76    HB   THR  12           HB       THR  12 -12.508  -1.165  -5.915
   77    HG1  THR  12           HG1      THR  12 -14.169   1.070  -6.196
   78   HG21  THR  12          3HG2      THR  12 -15.430  -1.433  -6.630
   79   HG22  THR  12          1HG2      THR  12 -14.377  -2.740  -6.091
   80   HG23  THR  12          2HG2      THR  12 -14.072  -1.941  -7.633
   81    H    ALA  13           H        ALA  13 -15.423  -2.506  -3.751
   82    HA   ALA  13           HA       ALA  13 -13.941  -3.481  -1.584
   83    HB1  ALA  13           HB1      ALA  13 -16.335  -3.881  -1.839
   84    HB2  ALA  13           HB2      ALA  13 -16.015  -4.907  -3.237
   85    HB3  ALA  13           HB3      ALA  13 -15.450  -5.394  -1.640
   86    H    GLY  14           H        GLY  14 -11.976  -4.330  -1.729
   87    HA2  GLY  14           HA1      GLY  14 -10.545  -6.141  -2.242
   88    HA3  GLY  14           HA2      GLY  14 -11.542  -6.493  -3.647
   89    H    GLN  15           H        GLN  15 -10.137  -3.388  -2.704
   90    HA   GLN  15           HA       GLN  15  -8.549  -3.472  -5.181
   91    HB2  GLN  15           HB2      GLN  15  -9.651  -1.194  -3.560
   92    HB3  GLN  15           HB3      GLN  15  -8.299  -0.944  -4.657
   93    HG2  GLN  15           HG2      GLN  15 -11.013  -1.995  -5.417
   94    HG3  GLN  15           HG3      GLN  15 -10.416  -0.358  -5.697
   95   HE21  GLN  15          1HE2      GLN  15 -10.238  -3.678  -6.644
   96   HE22  GLN  15          2HE2      GLN  15  -9.306  -3.433  -8.082
   97    H    CYS  16           H        CYS  16  -6.360  -2.776  -5.144
   98    HA   CYS  16           HA       CYS  16  -4.809  -3.604  -2.966
   99    HB2  CYS  16           HB2      CYS  16  -2.993  -2.208  -4.138
  100    HB3  CYS  16           HB3      CYS  16  -3.714  -3.531  -5.049
  101    HG   CYS  16           HG       CYS  16  -4.284  -2.092  -7.080
  102    H    THR  17           H        THR  17  -5.861  -0.396  -4.002
  103    HA   THR  17           HA       THR  17  -4.567   0.978  -1.853
  104    HB   THR  17           HB       THR  17  -5.944   2.923  -2.602
  105    HG1  THR  17           HG1      THR  17  -6.948   2.152  -4.847
  106   HG21  THR  17          3HG2      THR  17  -4.929   3.140  -4.816
  107   HG22  THR  17          1HG2      THR  17  -4.571   1.412  -4.825
  108   HG23  THR  17          2HG2      THR  17  -3.784   2.470  -3.653
  109    H    TRP  18           H        TRP  18  -7.590  -0.609  -2.291
  110    HA   TRP  18           HA       TRP  18  -9.030   0.568  -0.141
  111    HB2  TRP  18           HB2      TRP  18 -10.182  -0.571  -1.954
  112    HB3  TRP  18           HB3      TRP  18  -9.346  -2.072  -1.590
  113    HD1  TRP  18           HD1      TRP  18 -12.177   0.173  -0.278
  114    HE1  TRP  18           HE1      TRP  18 -13.664  -1.248   1.273
  115    HE3  TRP  18           HE3      TRP  18  -9.359  -4.097  -0.097
  116    HZ2  TRP  18           HZ2      TRP  18 -13.655  -3.815   2.415
  117    HZ3  TRP  18           HZ3      TRP  18 -10.180  -5.986   1.246
  118    HH2  TRP  18           HH2      TRP  18 -12.282  -5.849   2.476
  119    H    TYR  19           H        TYR  19  -7.171  -2.426  -0.521
  120    HA   TYR  19           HA       TYR  19  -7.542  -3.425   2.078
  121    HB2  TYR  19           HB2      TYR  19  -6.732  -4.809   0.239
  122    HB3  TYR  19           HB3      TYR  19  -5.263  -3.849   0.133
  123    HD1  TYR  19           HD2      TYR  19  -7.152  -6.099   2.415
  124    HD2  TYR  19           HD1      TYR  19  -3.375  -4.447   1.372
  125    HE1  TYR  19           HE2      TYR  19  -6.052  -7.633   3.989
  126    HE2  TYR  19           HE1      TYR  19  -2.266  -5.977   2.941
  127    HH   TYR  19           HH       TYR  19  -2.740  -7.302   4.871
  128    H    VAL  20           H        VAL  20  -4.942  -1.445   0.694
  129    HA   VAL  20           HA       VAL  20  -3.296  -1.281   2.938
  130    HB   VAL  20           HB       VAL  20  -3.768   0.777   0.771
  131   HG11  VAL  20          2HG1      VAL  20  -1.542   0.624   2.802
  132   HG12  VAL  20          1HG1      VAL  20  -2.820   1.839   2.745
  133   HG13  VAL  20          3HG1      VAL  20  -1.628   1.752   1.448
  134   HG21  VAL  20          3HG2      VAL  20  -1.595  -1.288   1.121
  135   HG22  VAL  20          2HG2      VAL  20  -1.698  -0.104  -0.183
  136   HG23  VAL  20          1HG2      VAL  20  -2.920  -1.365  -0.040
  137    H    TYR  21           H        TYR  21  -6.007   0.782   1.964
  138    HA   TYR  21           HA       TYR  21  -5.738   2.696   3.995
  139    HB2  TYR  21           HB2      TYR  21  -7.125   2.857   1.880
  140    HB3  TYR  21           HB3      TYR  21  -8.333   1.873   2.695
  141    HD1  TYR  21           HD1      TYR  21  -6.456   5.067   3.013
  142    HD2  TYR  21           HD2      TYR  21  -9.944   2.867   4.034
  143    HE1  TYR  21           HE1      TYR  21  -7.444   7.094   3.977
  144    HE2  TYR  21           HE2      TYR  21 -10.946   4.885   5.002
  145    HH   TYR  21           HH       TYR  21 -10.290   7.024   5.898
  146    H    ASP  22           H        ASP  22  -7.588  -0.324   3.861
  147    HA   ASP  22           HA       ASP  22  -8.879  -0.058   6.354
  148    HB2  ASP  22           HB2      ASP  22  -9.596  -1.748   4.770
  149    HB3  ASP  22           HB3      ASP  22  -8.033  -2.554   4.873
  150    H    LYS  23           H        LYS  23  -5.824  -1.588   5.463
  151    HA   LYS  23           HA       LYS  23  -5.276  -2.684   8.002
  152    HB2  LYS  23           HB2      LYS  23  -3.396  -2.003   5.740
  153    HB3  LYS  23           HB3      LYS  23  -2.981  -2.995   7.131
  154    HG2  LYS  23           HG2      LYS  23  -5.197  -3.658   5.212
  155    HG3  LYS  23           HG3      LYS  23  -3.548  -4.260   5.056
  156    HD2  LYS  23           HD2      LYS  23  -5.219  -4.675   7.527
  157    HD3  LYS  23           HD3      LYS  23  -5.191  -5.814   6.177
  158    HE2  LYS  23           HE2      LYS  23  -2.744  -6.020   6.451
  159    HE3  LYS  23           HE3      LYS  23  -2.835  -4.950   7.850
  160    HZ1  LYS  23           HZ1      LYS  23  -2.779  -7.359   8.386
  161    HZ2  LYS  23           HZ2      LYS  23  -4.299  -7.526   7.652
  162    HZ3  LYS  23           HZ3      LYS  23  -4.124  -6.542   9.025
  163    H    VAL  24           H        VAL  24  -4.759   0.511   6.724
  164    HA   VAL  24           HA       VAL  24  -2.960   1.181   8.926
  165    HB   VAL  24           HB       VAL  24  -2.743   3.390   7.916
  166   HG11  VAL  24          2HG1      VAL  24  -1.639   2.729   5.835
  167   HG12  VAL  24          1HG1      VAL  24  -2.437   1.157   5.915
  168   HG13  VAL  24          3HG1      VAL  24  -1.268   1.618   7.154
  169   HG21  VAL  24          3HG2      VAL  24  -3.796   3.910   5.763
  170   HG22  VAL  24          2HG2      VAL  24  -4.995   3.659   7.032
  171   HG23  VAL  24          1HG2      VAL  24  -4.694   2.394   5.841
  172    H    GLY  25           H        GLY  25  -6.135   0.770   8.718
  173    HA2  GLY  25           HA1      GLY  25  -7.760   1.296  10.274
  174    HA3  GLY  25           HA2      GLY  25  -6.608   2.363  11.062
  175    H    GLY  26           H        GLY  26  -7.229   2.753   7.672
  176    HA2  GLY  26           HA1      GLY  26  -8.185   4.474   6.490
  177    HA3  GLY  26           HA2      GLY  26  -9.361   4.580   7.792
  178    H    GLU  27           H        GLU  27  -5.885   5.060   8.062
  179    HA   GLU  27           HA       GLU  27  -6.401   7.600   9.346
  180    HB2  GLU  27           HB2      GLU  27  -4.806   5.830  10.238
  181    HB3  GLU  27           HB3      GLU  27  -3.716   6.300   8.943
  182    HG2  GLU  27           HG2      GLU  27  -3.137   7.390  11.031
  183    HG3  GLU  27           HG3      GLU  27  -3.634   8.564   9.813
  184    H    ILE  28           H        ILE  28  -4.428   6.412   6.631
  185    HA   ILE  28           HA       ILE  28  -4.316   9.194   5.682
  186    HB   ILE  28           HB       ILE  28  -2.154   9.030   5.019
  187   HG12  ILE  28          2HG1      ILE  28  -2.686   7.126   3.421
  188   HG13  ILE  28          3HG1      ILE  28  -1.042   7.171   4.049
  189   HG21  ILE  28          2HG2      ILE  28  -2.230   6.836   7.073
  190   HG22  ILE  28          1HG2      ILE  28  -2.077   8.566   7.379
  191   HG23  ILE  28          3HG2      ILE  28  -0.783   7.697   6.552
  192   HD11  ILE  28          3HD1      ILE  28  -1.730   5.431   5.710
  193   HD12  ILE  28          2HD1      ILE  28  -1.770   4.913   4.023
  194   HD13  ILE  28          1HD1      ILE  28  -3.273   5.321   4.857
  195    H    GLY  29           H        GLY  29  -4.974   9.628   3.616
  196    HA2  GLY  29           HA1      GLY  29  -4.707   8.928   1.304
  197    HA3  GLY  29           HA2      GLY  29  -5.154   7.311   1.810
  198    H    SER  30           H        SER  30  -6.900   6.860   0.760
  199    HA   SER  30           HA       SER  30  -8.936   6.858  -0.163
  200    HB2  SER  30           HB2      SER  30 -10.783   7.955   0.849
  201    HB3  SER  30           HB3      SER  30  -9.691   7.537   2.165
  202    HG   SER  30           HG       SER  30  -8.916   9.726   2.052
  203    H    THR  31           H        THR  31  -7.511  10.064   0.171
  204    HA   THR  31           HA       THR  31  -8.634  10.845  -2.415
  205    HB   THR  31           HB       THR  31  -7.605  13.093  -1.790
  206    HG1  THR  31           HG1      THR  31  -7.533  12.926   0.785
  207   HG21  THR  31          3HG2      THR  31  -9.729  11.920   0.017
  208   HG22  THR  31          1HG2      THR  31  -9.997  12.644  -1.568
  209   HG23  THR  31          2HG2      THR  31  -9.428  13.642  -0.231
  210    H    TRP  32           H        TRP  32  -6.056   9.135  -1.512
  211    HA   TRP  32           HA       TRP  32  -3.889  10.557  -2.708
  212    HB2  TRP  32           HB2      TRP  32  -2.628   8.445  -2.451
  213    HB3  TRP  32           HB3      TRP  32  -3.411   8.960  -0.961
  214    HD1  TRP  32           HD1      TRP  32  -5.252   7.096  -3.746
  215    HE1  TRP  32           HE1      TRP  32  -6.026   4.843  -2.848
  216    HE3  TRP  32           HE3      TRP  32  -2.901   7.216   0.779
  217    HZ2  TRP  32           HZ2      TRP  32  -5.698   3.284  -0.487
  218    HZ3  TRP  32           HZ3      TRP  32  -3.184   5.302   2.306
  219    HH2  TRP  32           HH2      TRP  32  -4.551   3.376   1.685
  220    H    GLY  33           H        GLY  33  -6.497   9.152  -4.112
  221    HA2  GLY  33           HA1      GLY  33  -6.889   8.882  -6.396
  222    HA3  GLY  33           HA2      GLY  33  -5.160   9.074  -6.657
  223    H    ASN  34           H        ASN  34  -4.173   7.400  -7.398
  224    HA   ASN  34           HA       ASN  34  -5.062   4.750  -6.527
  225    HB2  ASN  34           HB2      ASN  34  -4.747   3.846  -8.726
  226    HB3  ASN  34           HB3      ASN  34  -5.843   5.216  -8.850
  227   HD21  ASN  34          1HD2      ASN  34  -5.102   7.139  -9.822
  228   HD22  ASN  34          2HD2      ASN  34  -3.711   7.141 -10.852
  229    H    ALA  35           H        ALA  35  -3.137   3.227  -7.736
  230    HA   ALA  35           HA       ALA  35  -1.236   3.451  -5.681
  231    HB1  ALA  35           HB1      ALA  35  -1.989   1.326  -6.598
  232    HB2  ALA  35           HB2      ALA  35  -1.168   1.691  -8.116
  233    HB3  ALA  35           HB3      ALA  35  -0.231   1.472  -6.640
  234    H    ASN  36           H        ASN  36  -0.945   4.170  -9.186
  235    HA   ASN  36           HA       ASN  36   1.886   4.713  -8.827
  236    HB2  ASN  36           HB2      ASN  36   1.982   5.222 -11.200
  237    HB3  ASN  36           HB3      ASN  36   1.150   3.698 -10.938
  238   HD21  ASN  36          1HD2      ASN  36   0.278   3.877 -13.014
  239   HD22  ASN  36          2HD2      ASN  36  -1.053   4.931 -13.358
  240    H    ASN  37           H        ASN  37  -0.773   6.371  -8.056
  241    HA   ASN  37           HA       ASN  37   0.350   9.010  -8.711
  242    HB2  ASN  37           HB2      ASN  37  -1.946   8.536  -9.535
  243    HB3  ASN  37           HB3      ASN  37  -2.467   8.251  -7.880
  244   HD21  ASN  37          1HD2      ASN  37  -2.891   9.969  -6.558
  245   HD22  ASN  37          2HD2      ASN  37  -2.906  11.610  -7.116
  246    H    TRP  38           H        TRP  38   0.406   6.813  -6.343
  247    HA   TRP  38           HA       TRP  38  -0.589   7.935  -4.034
  248    HB2  TRP  38           HB2      TRP  38   1.235   5.796  -4.708
  249    HB3  TRP  38           HB3      TRP  38   1.689   6.604  -3.201
  250    HD1  TRP  38           HD1      TRP  38  -1.879   5.806  -4.484
  251    HE1  TRP  38           HE1      TRP  38  -3.042   4.447  -2.673
  252    HE3  TRP  38           HE3      TRP  38   2.031   5.345  -1.264
  253    HZ2  TRP  38           HZ2      TRP  38  -2.360   3.311  -0.107
  254    HZ3  TRP  38           HZ3      TRP  38   1.714   4.113   0.833
  255    HH2  TRP  38           HH2      TRP  38  -0.415   3.111   1.393
  256    H    ALA  39           H        ALA  39   2.847   8.035  -5.027
  257    HA   ALA  39           HA       ALA  39   3.726   9.434  -2.785
  258    HB1  ALA  39           HB1      ALA  39   5.234   8.245  -4.298
  259    HB2  ALA  39           HB2      ALA  39   4.935   9.449  -5.552
  260    HB3  ALA  39           HB3      ALA  39   5.752   9.915  -4.061
  261    H    ALA  40           H        ALA  40   2.446  10.593  -5.830
  262    HA   ALA  40           HA       ALA  40   3.073  13.338  -5.419
  263    HB1  ALA  40           HB1      ALA  40   2.656  12.395  -7.633
  264    HB2  ALA  40           HB2      ALA  40   0.982  12.078  -7.180
  265    HB3  ALA  40           HB3      ALA  40   1.566  13.738  -7.289
  266    H    ALA  41           H        ALA  41   0.051  11.477  -5.136
  267    HA   ALA  41           HA       ALA  41  -1.529  13.607  -4.174
  268    HB1  ALA  41           HB1      ALA  41  -3.144  11.891  -3.555
  269    HB2  ALA  41           HB2      ALA  41  -2.473  11.565  -5.151
  270    HB3  ALA  41           HB3      ALA  41  -1.919  10.637  -3.756
  271    H    ALA  42           H        ALA  42   0.228  11.033  -2.524
  272    HA   ALA  42           HA       ALA  42  -0.626  11.474   0.081
  273    HB1  ALA  42           HB1      ALA  42   1.488  10.372   0.740
  274    HB2  ALA  42           HB2      ALA  42   0.620   9.513  -0.534
  275    HB3  ALA  42           HB3      ALA  42   2.032  10.490  -0.932
  276    H    GLN  43           H        GLN  43   2.216  12.842  -1.590
  277    HA   GLN  43           HA       GLN  43   3.043  14.413   0.622
  278    HB2  GLN  43           HB2      GLN  43   3.671  14.681  -2.322
  279    HB3  GLN  43           HB3      GLN  43   4.461  15.602  -1.049
  280    HG2  GLN  43           HG2      GLN  43   5.300  13.534  -0.067
  281    HG3  GLN  43           HG3      GLN  43   4.503  12.605  -1.338
  282   HE21  GLN  43          1HE2      GLN  43   7.331  12.798  -0.623
  283   HE22  GLN  43          2HE2      GLN  43   8.150  13.309  -2.054
  284    H    GLY  44           H        GLY  44   0.876  14.983  -2.077
  285    HA2  GLY  44           HA1      GLY  44   0.549  17.781  -1.636
  286    HA3  GLY  44           HA2      GLY  44  -0.535  16.744  -2.553
  287    H    ALA  45           H        ALA  45  -1.030  14.917  -0.367
  288    HA   ALA  45           HA       ALA  45  -3.073  16.362   1.029
  289    HB1  ALA  45           HB1      ALA  45  -3.367  14.019   0.367
  290    HB2  ALA  45           HB2      ALA  45  -2.069  13.548   1.464
  291    HB3  ALA  45           HB3      ALA  45  -3.564  14.229   2.106
  292    H    GLY  46           H        GLY  46   0.220  15.535   1.643
  293    HA2  GLY  46           HA1      GLY  46   1.422  16.896   3.230
  294    HA3  GLY  46           HA2      GLY  46  -0.009  16.894   4.247
  295    H    PHE  47           H        PHE  47   1.086  13.942   2.740
  296    HA   PHE  47           HA       PHE  47   1.433  12.738   5.339
  297    HB2  PHE  47           HB2      PHE  47   1.856  11.582   2.572
  298    HB3  PHE  47           HB3      PHE  47   1.922  10.661   4.066
  299    HD1  PHE  47           HD1      PHE  47  -0.564  12.763   4.885
  300    HD2  PHE  47           HD2      PHE  47   0.212   9.688   2.052
  301    HE1  PHE  47           HE1      PHE  47  -2.981  12.336   4.689
  302    HE2  PHE  47           HE2      PHE  47  -2.198   9.241   1.848
  303    HZ   PHE  47           HZ       PHE  47  -3.799  10.580   3.168
  304    H    THR  48           H        THR  48   3.341  11.577   5.979
  305    HA   THR  48           HA       THR  48   5.801  12.930   5.113
  306    HB   THR  48           HB       THR  48   5.409  11.173   7.546
  307    HG1  THR  48           HG1      THR  48   4.078  12.994   7.766
  308   HG21  THR  48          3HG2      THR  48   7.737  11.450   6.806
  309   HG22  THR  48          1HG2      THR  48   7.447  12.265   8.344
  310   HG23  THR  48          2HG2      THR  48   7.539  13.202   6.854
  311    H    VAL  49           H        VAL  49   7.096  11.859   3.737
  312    HA   VAL  49           HA       VAL  49   6.923   8.925   3.706
  313    HB   VAL  49           HB       VAL  49   6.389   8.946   1.556
  314   HG11  VAL  49          2HG1      VAL  49   5.859  11.018   0.372
  315   HG12  VAL  49          1HG1      VAL  49   6.669  11.944   1.636
  316   HG13  VAL  49          3HG1      VAL  49   5.218  11.016   2.016
  317   HG21  VAL  49          3HG2      VAL  49   8.879   9.008   1.191
  318   HG22  VAL  49          2HG2      VAL  49   8.718  10.735   0.878
  319   HG23  VAL  49          1HG2      VAL  49   7.904   9.563  -0.170
  320    H    ASN  50           H        ASN  50   8.714   7.794   3.859
  321    HA   ASN  50           HA       ASN  50  11.303   9.000   3.178
  322    HB2  ASN  50           HB2      ASN  50  11.305   7.175   5.535
  323    HB3  ASN  50           HB3      ASN  50  12.373   8.519   5.165
  324   HD21  ASN  50          1HD2      ASN  50   9.696   7.447   6.929
  325   HD22  ASN  50          2HD2      ASN  50   9.270   8.952   7.663
  326    H    HIS  51           H        HIS  51   9.421   6.222   4.028
  327    HA   HIS  51           HA       HIS  51   9.259   4.131   3.319
  328    HB2  HIS  51           HB2      HIS  51   9.333   5.000   1.030
  329    HB3  HIS  51           HB3      HIS  51  11.092   4.876   1.044
  330    HD1  HIS  51           HD1      HIS  51   8.011   2.673   1.222
  331    HD2  HIS  51           HD2      HIS  51  12.086   2.386   0.476
  332    HE1  HIS  51           HE1      HIS  51   8.393   0.300   0.505
  333    HE2  HIS  51           HE2      HIS  51  10.832   0.218  -0.138
  334    H    THR  52           H        THR  52  10.310   3.704   5.249
  335    HA   THR  52           HA       THR  52  12.685   2.070   4.743
  336    HB   THR  52           HB       THR  52  11.904   3.444   7.338
  337    HG1  THR  52           HG1      THR  52  14.361   4.011   6.230
  338   HG21  THR  52          3HG2      THR  52  14.039   2.599   8.193
  339   HG22  THR  52          1HG2      THR  52  14.334   1.772   6.664
  340   HG23  THR  52          2HG2      THR  52  12.996   1.267   7.696
  341    HA   PRO  53           HA       PRO  53   9.373  -1.070   4.991
  342    HB2  PRO  53           HB2      PRO  53  11.540  -2.811   5.835
  343    HB3  PRO  53           HB3      PRO  53  10.607  -2.843   4.339
  344    HG2  PRO  53           HG2      PRO  53  13.221  -1.598   4.891
  345    HG3  PRO  53           HG3      PRO  53  12.511  -2.085   3.341
  346    HD2  PRO  53           HD2      PRO  53  12.774   0.496   3.964
  347    HD3  PRO  53           HD3      PRO  53  11.315  -0.102   3.117
  348    H    SER  54           H        SER  54   8.073  -1.064   6.690
  349    HA   SER  54           HA       SER  54   8.936  -2.054   9.242
  350    HB2  SER  54           HB2      SER  54   8.106   0.846   8.950
  351    HB3  SER  54           HB3      SER  54   8.171  -0.003  10.490
  352    HG   SER  54           HG       SER  54  10.470  -0.226   8.992
  353    H    LYS  55           H        LYS  55   7.179  -2.697  10.514
  354    HA   LYS  55           HA       LYS  55   4.756  -3.242   9.222
  355    HB2  LYS  55           HB2      LYS  55   5.429  -4.575  11.112
  356    HB3  LYS  55           HB3      LYS  55   5.470  -3.163  12.161
  357    HG2  LYS  55           HG2      LYS  55   3.077  -2.955  12.060
  358    HG3  LYS  55           HG3      LYS  55   2.978  -4.252  10.867
  359    HD2  LYS  55           HD2      LYS  55   3.788  -5.852  12.494
  360    HD3  LYS  55           HD3      LYS  55   4.022  -4.566  13.683
  361    HE2  LYS  55           HE2      LYS  55   1.952  -5.821  14.087
  362    HE3  LYS  55           HE3      LYS  55   1.635  -4.129  13.711
  363    HZ1  LYS  55           HZ1      LYS  55   1.281  -6.475  11.927
  364    HZ2  LYS  55           HZ2      LYS  55   1.238  -4.876  11.374
  365    HZ3  LYS  55           HZ3      LYS  55   0.090  -5.406  12.493
  366    H    GLY  56           H        GLY  56   3.078  -1.977   8.769
  367    HA2  GLY  56           HA1      GLY  56   1.385  -0.411   9.375
  368    HA3  GLY  56           HA2      GLY  56   2.508   0.323  10.513
  369    H    ALA  57           H        ALA  57   4.155  -0.324   7.737
  370    HA   ALA  57           HA       ALA  57   3.704   2.385   6.694
  371    HB1  ALA  57           HB1      ALA  57   5.893   2.235   5.696
  372    HB2  ALA  57           HB2      ALA  57   6.003   1.851   7.417
  373    HB3  ALA  57           HB3      ALA  57   6.052   0.556   6.221
  374    H    ILE  58           H        ILE  58   4.449   2.279   4.154
  375    HA   ILE  58           HA       ILE  58   2.901   0.086   2.974
  376    HB   ILE  58           HB       ILE  58   2.745   2.638   1.528
  377   HG12  ILE  58          2HG1      ILE  58   2.421   3.243   3.995
  378   HG13  ILE  58          3HG1      ILE  58   1.118   3.657   2.899
  379   HG21  ILE  58          2HG2      ILE  58   0.784   0.466   2.265
  380   HG22  ILE  58          1HG2      ILE  58   1.654   0.619   0.741
  381   HG23  ILE  58          3HG2      ILE  58   0.439   1.816   1.185
  382   HD11  ILE  58          3HD1      ILE  58  -0.143   1.719   3.637
  383   HD12  ILE  58          2HD1      ILE  58   0.271   2.773   4.988
  384   HD13  ILE  58          1HD1      ILE  58   1.171   1.278   4.728
  385    H    LEU  59           H        LEU  59   3.158   0.508   0.380
  386    HA   LEU  59           HA       LEU  59   5.913   1.067  -0.336
  387    HB2  LEU  59           HB2      LEU  59   5.758  -1.295   0.493
  388    HB3  LEU  59           HB3      LEU  59   4.638  -1.625  -0.810
  389    HG   LEU  59           HG       LEU  59   7.077  -0.457  -1.827
  390   HD11  LEU  59          2HD1      LEU  59   8.549  -2.334  -1.302
  391   HD12  LEU  59          1HD1      LEU  59   7.313  -3.009  -0.241
  392   HD13  LEU  59          3HD1      LEU  59   8.070  -1.465   0.157
  393   HD21  LEU  59          3HD2      LEU  59   5.729  -3.128  -2.227
  394   HD22  LEU  59          2HD2      LEU  59   7.010  -2.460  -3.239
  395   HD23  LEU  59          1HD2      LEU  59   5.435  -1.666  -3.170
  396    H    GLN  60           H        GLN  60   6.030   1.766  -2.469
  397    HA   GLN  60           HA       GLN  60   3.700   1.296  -4.177
  398    HB2  GLN  60           HB2      GLN  60   3.398   3.574  -4.736
  399    HB3  GLN  60           HB3      GLN  60   3.491   3.522  -2.985
  400    HG2  GLN  60           HG2      GLN  60   5.097   5.004  -3.021
  401    HG3  GLN  60           HG3      GLN  60   6.104   3.913  -3.974
  402   HE21  GLN  60          1HE2      GLN  60   3.072   5.131  -5.174
  403   HE22  GLN  60          2HE2      GLN  60   3.739   6.205  -6.360
  404    H    SER  61           H        SER  61   4.070   1.138  -6.255
  405    HA   SER  61           HA       SER  61   6.737   1.722  -7.320
  406    HB2  SER  61           HB2      SER  61   6.814  -0.629  -7.018
  407    HB3  SER  61           HB3      SER  61   5.143  -0.833  -7.530
  408    HG   SER  61           HG       SER  61   7.389  -0.167  -9.155
  409    H    SER  62           H        SER  62   6.738   2.386  -9.477
  410    HA   SER  62           HA       SER  62   4.155   3.277 -10.479
  411    HB2  SER  62           HB2      SER  62   5.737   4.388 -12.231
  412    HB3  SER  62           HB3      SER  62   5.709   5.018 -10.584
  413    HG   SER  62           HG       SER  62   7.570   3.047 -11.460
  414    H    GLU  63           H        GLU  63   5.878   0.556 -10.650
  415    HA   GLU  63           HA       GLU  63   5.667   0.062 -13.510
  416    HB2  GLU  63           HB2      GLU  63   6.756  -1.624 -11.243
  417    HB3  GLU  63           HB3      GLU  63   6.743  -2.123 -12.926
  418    HG2  GLU  63           HG2      GLU  63   8.933  -1.330 -12.308
  419    HG3  GLU  63           HG3      GLU  63   8.212  -0.242 -13.489
  420    H    GLY  64           H        GLY  64   3.496  -0.105 -13.925
  421    HA2  GLY  64           HA1      GLY  64   2.201  -2.505 -13.795
  422    HA3  GLY  64           HA2      GLY  64   1.738  -1.696 -12.304
  423    HA   PRO  65           HA       PRO  65  -1.020  -0.264 -15.820
  424    HB2  PRO  65           HB2      PRO  65  -3.285  -1.327 -14.372
  425    HB3  PRO  65           HB3      PRO  65  -2.705  -1.764 -15.977
  426    HG2  PRO  65           HG2      PRO  65  -2.594  -3.414 -13.782
  427    HG3  PRO  65           HG3      PRO  65  -1.539  -3.558 -15.200
  428    HD2  PRO  65           HD2      PRO  65  -0.970  -2.391 -12.515
  429    HD3  PRO  65           HD3      PRO  65   0.106  -3.281 -13.614
  430    H    PHE  66           H        PHE  66  -2.284  -0.575 -12.510
  431    HA   PHE  66           HA       PHE  66  -2.926   2.286 -12.511
  432    HB2  PHE  66           HB2      PHE  66  -3.778   0.063 -10.638
  433    HB3  PHE  66           HB3      PHE  66  -4.277   1.744 -10.499
  434    HD1  PHE  66           HD2      PHE  66  -4.556  -1.306 -12.556
  435    HD2  PHE  66           HD1      PHE  66  -6.016   2.632 -11.847
  436    HE1  PHE  66           HE2      PHE  66  -6.475  -1.751 -14.033
  437    HE2  PHE  66           HE1      PHE  66  -7.932   2.190 -13.326
  438    HZ   PHE  66           HZ       PHE  66  -8.163  -0.004 -14.420
  439    H    GLY  67           H        GLY  67  -0.313   0.680 -11.992
  440    HA2  GLY  67           HA1      GLY  67   1.570   1.542 -10.815
  441    HA3  GLY  67           HA2      GLY  67   0.474   2.196  -9.604
  442    H    HIS  68           H        HIS  68   1.535   1.205  -7.878
  443    HA   HIS  68           HA       HIS  68   0.698  -1.485  -7.331
  444    HB2  HIS  68           HB2      HIS  68   2.831  -1.699  -8.746
  445    HB3  HIS  68           HB3      HIS  68   3.677  -0.975  -7.376
  446    HD1  HIS  68           HD1      HIS  68   3.463  -4.094  -8.738
  447    HD2  HIS  68           HD2      HIS  68   2.584  -2.701  -4.922
  448    HE1  HIS  68           HE1      HIS  68   3.590  -6.101  -7.235
  449    HE2  HIS  68           HE2      HIS  68   2.742  -5.275  -5.006
  450    H    VAL  69           H        VAL  69  -0.258  -0.480  -5.413
  451    HA   VAL  69           HA       VAL  69   1.842   0.183  -3.471
  452    HB   VAL  69           HB       VAL  69   0.129   1.383  -2.160
  453   HG11  VAL  69          2HG1      VAL  69   0.034   3.338  -3.647
  454   HG12  VAL  69          1HG1      VAL  69   0.530   2.318  -4.998
  455   HG13  VAL  69          3HG1      VAL  69   1.626   2.580  -3.642
  456   HG21  VAL  69          3HG2      VAL  69  -1.988   2.001  -3.240
  457   HG22  VAL  69          2HG2      VAL  69  -1.871   0.260  -2.985
  458   HG23  VAL  69          1HG2      VAL  69  -1.604   0.936  -4.591
  459    H    ALA  70           H        ALA  70   2.144  -1.081  -1.845
  460    HA   ALA  70           HA       ALA  70   0.069  -3.025  -1.101
  461    HB1  ALA  70           HB1      ALA  70   1.820  -4.710  -0.781
  462    HB2  ALA  70           HB2      ALA  70   1.754  -4.158  -2.456
  463    HB3  ALA  70           HB3      ALA  70   3.022  -3.569  -1.382
  464    H    TYR  71           H        TYR  71  -0.155  -3.375   1.061
  465    HA   TYR  71           HA       TYR  71   1.067  -1.402   2.777
  466    HB2  TYR  71           HB2      TYR  71  -1.222  -1.683   3.193
  467    HB3  TYR  71           HB3      TYR  71  -1.115  -3.442   3.121
  468    HD1  TYR  71           HD1      TYR  71  -0.261  -0.486   5.187
  469    HD2  TYR  71           HD2      TYR  71  -0.689  -4.718   5.043
  470    HE1  TYR  71           HE1      TYR  71  -0.047  -0.579   7.636
  471    HE2  TYR  71           HE2      TYR  71  -0.475  -4.823   7.495
  472    HH   TYR  71           HH       TYR  71  -0.595  -2.026   9.484
  473    H    VAL  72           H        VAL  72   2.575  -1.740   4.304
  474    HA   VAL  72           HA       VAL  72   4.029  -4.252   4.143
  475    HB   VAL  72           HB       VAL  72   4.732  -1.738   5.655
  476   HG11  VAL  72          2HG1      VAL  72   6.376  -4.136   4.861
  477   HG12  VAL  72          1HG1      VAL  72   5.947  -3.623   6.498
  478   HG13  VAL  72          3HG1      VAL  72   7.041  -2.641   5.518
  479   HG21  VAL  72          3HG2      VAL  72   5.481  -2.579   2.857
  480   HG22  VAL  72          2HG2      VAL  72   6.213  -1.234   3.736
  481   HG23  VAL  72          1HG2      VAL  72   4.496  -1.186   3.322
  482    H    GLU  73           H        GLU  73   3.382  -5.832   5.465
  483    HA   GLU  73           HA       GLU  73   2.126  -5.177   7.988
  484    HB2  GLU  73           HB2      GLU  73   2.681  -7.869   6.733
  485    HB3  GLU  73           HB3      GLU  73   1.763  -7.609   8.210
  486    HG2  GLU  73           HG2      GLU  73   0.262  -6.110   6.761
  487    HG3  GLU  73           HG3      GLU  73   1.035  -6.912   5.395
  488    H    SER  74           H        SER  74   5.194  -6.407   6.825
  489    HA   SER  74           HA       SER  74   6.477  -5.895   9.316
  490    HB2  SER  74           HB2      SER  74   6.056  -8.790   8.520
  491    HB3  SER  74           HB3      SER  74   7.257  -8.265   9.697
  492    HG   SER  74           HG       SER  74   4.726  -7.299  10.166
  493    H    VAL  75           H        VAL  75   8.726  -5.850   9.095
  494    HA   VAL  75           HA       VAL  75   9.764  -6.717   6.478
  495    HB   VAL  75           HB       VAL  75  10.183  -4.338   6.884
  496   HG11  VAL  75          2HG1      VAL  75  10.181  -4.358   9.325
  497   HG12  VAL  75          1HG1      VAL  75  11.636  -3.586   8.697
  498   HG13  VAL  75          3HG1      VAL  75  11.713  -5.231   9.328
  499   HG21  VAL  75          3HG2      VAL  75  11.830  -5.567   5.581
  500   HG22  VAL  75          2HG2      VAL  75  12.685  -6.031   7.053
  501   HG23  VAL  75          1HG2      VAL  75  12.633  -4.340   6.559
  502    H    ASN  76           H        ASN  76  11.194  -8.331   6.413
  503    HA   ASN  76           HA       ASN  76  11.603  -9.828   8.822
  504    HB2  ASN  76           HB2      ASN  76  12.654 -10.348   6.028
  505    HB3  ASN  76           HB3      ASN  76  12.704 -11.486   7.371
  506   HD21  ASN  76          1HD2      ASN  76  10.730  -9.931   5.004
  507   HD22  ASN  76          2HD2      ASN  76   9.315 -10.909   5.218
  508    H    SER  77           H        SER  77  13.607 -10.337   9.756
  509    HA   SER  77           HA       SER  77  15.345  -8.112   9.936
  510    HB2  SER  77           HB2      SER  77  15.836 -10.919  10.946
  511    HB3  SER  77           HB3      SER  77  16.545  -9.423  11.560
  512    HG   SER  77           HG       SER  77  14.095  -8.886  11.772
  513    H    ASP  78           H        ASP  78  15.322 -10.882   7.913
  514    HA   ASP  78           HA       ASP  78  18.066 -11.008   7.233
  515    HB2  ASP  78           HB2      ASP  78  15.623 -11.796   5.630
  516    HB3  ASP  78           HB3      ASP  78  17.277 -12.224   5.215
  517    H    GLY  79           H        GLY  79  15.617  -8.752   6.480
  518    HA2  GLY  79           HA1      GLY  79  16.325  -6.646   5.485
  519    HA3  GLY  79           HA2      GLY  79  17.344  -7.575   4.394
  520    H    SER  80           H        SER  80  14.833  -9.471   4.441
  521    HA   SER  80           HA       SER  80  13.626  -8.304   2.084
  522    HB2  SER  80           HB2      SER  80  12.289 -10.506   2.190
  523    HB3  SER  80           HB3      SER  80  14.020 -10.612   1.868
  524    HG   SER  80           HG       SER  80  14.131 -11.838   3.557
  525    H    VAL  81           H        VAL  81  11.415  -7.774   1.900
  526    HA   VAL  81           HA       VAL  81  10.172  -7.183   4.510
  527    HB   VAL  81           HB       VAL  81   9.681  -5.702   1.927
  528   HG11  VAL  81          2HG1      VAL  81   7.900  -5.478   3.554
  529   HG12  VAL  81          1HG1      VAL  81   8.787  -3.961   3.408
  530   HG13  VAL  81          3HG1      VAL  81   9.063  -5.014   4.796
  531   HG21  VAL  81          3HG2      VAL  81  11.160  -3.953   2.857
  532   HG22  VAL  81          2HG2      VAL  81  12.009  -5.455   2.489
  533   HG23  VAL  81          1HG2      VAL  81  11.600  -5.062   4.160
  534    H    THR  82           H        THR  82   8.090  -7.748   4.888
  535    HA   THR  82           HA       THR  82   6.804  -9.389   2.830
  536    HB   THR  82           HB       THR  82   6.365  -9.262   5.822
  537    HG1  THR  82           HG1      THR  82   7.153 -11.580   4.440
  538   HG21  THR  82          3HG2      THR  82   5.026 -11.010   3.747
  539   HG22  THR  82          1HG2      THR  82   4.253  -9.734   4.686
  540   HG23  THR  82          2HG2      THR  82   4.853 -11.183   5.493
  541    H    ILE  83           H        ILE  83   5.453  -8.245   1.617
  542    HA   ILE  83           HA       ILE  83   3.777  -6.203   2.926
  543    HB   ILE  83           HB       ILE  83   3.523  -5.154   0.713
  544   HG12  ILE  83          2HG1      ILE  83   5.626  -7.127  -0.205
  545   HG13  ILE  83          3HG1      ILE  83   3.918  -7.232  -0.613
  546   HG21  ILE  83          2HG2      ILE  83   6.389  -5.525   1.574
  547   HG22  ILE  83          1HG2      ILE  83   5.245  -4.352   2.228
  548   HG23  ILE  83          3HG2      ILE  83   5.784  -4.218   0.553
  549   HD11  ILE  83          3HD1      ILE  83   4.063  -5.113  -1.794
  550   HD12  ILE  83          2HD1      ILE  83   5.225  -6.279  -2.425
  551   HD13  ILE  83          1HD1      ILE  83   5.769  -4.983  -1.360
  552    H    SER  84           H        SER  84   1.594  -6.071   2.363
  553    HA   SER  84           HA       SER  84   0.528  -8.337   0.837
  554    HB2  SER  84           HB2      SER  84  -0.531  -7.288   3.471
  555    HB3  SER  84           HB3      SER  84  -1.364  -8.463   2.452
  556    HG   SER  84           HG       SER  84   0.261  -9.086   4.305
  557    H    GLU  85           H        GLU  85  -0.865  -7.812  -0.649
  558    HA   GLU  85           HA       GLU  85  -2.306  -5.267  -0.561
  559    HB2  GLU  85           HB2      GLU  85  -1.675  -4.848  -2.949
  560    HB3  GLU  85           HB3      GLU  85  -0.311  -4.757  -1.841
  561    HG2  GLU  85           HG2      GLU  85   0.241  -7.114  -2.458
  562    HG3  GLU  85           HG3      GLU  85  -1.008  -7.019  -3.696
  563    H    MET  86           H        MET  86  -4.408  -5.879  -0.739
  564    HA   MET  86           HA       MET  86  -5.040  -8.464  -1.797
  565    HB2  MET  86           HB2      MET  86  -6.242  -7.300   0.136
  566    HB3  MET  86           HB3      MET  86  -7.058  -6.346  -1.097
  567    HG2  MET  86           HG2      MET  86  -7.857  -8.451  -2.125
  568    HG3  MET  86           HG3      MET  86  -7.132  -9.335  -0.792
  569    HE1  MET  86           HE1      MET  86  -8.027  -9.468   1.580
  570    HE2  MET  86           HE2      MET  86  -7.724  -7.743   1.792
  571    HE3  MET  86           HE3      MET  86  -9.285  -8.425   2.249
  572    H    ASN  87           H        ASN  87  -5.463  -8.964  -3.780
  573    HA   ASN  87           HA       ASN  87  -6.178  -8.938  -5.918
  574    HB2  ASN  87           HB2      ASN  87  -8.169  -7.725  -5.368
  575    HB3  ASN  87           HB3      ASN  87  -7.280  -6.213  -5.231
  576   HD21  ASN  87          1HD2      ASN  87  -8.598  -5.220  -6.750
  577   HD22  ASN  87          2HD2      ASN  87  -8.480  -5.559  -8.447
  578    H    TYR  88           H        TYR  88  -4.864  -5.745  -5.026
  579    HA   TYR  88           HA       TYR  88  -3.239  -4.463  -5.940
  580    HB2  TYR  88           HB2      TYR  88  -1.622  -6.123  -5.850
  581    HB3  TYR  88           HB3      TYR  88  -2.468  -7.162  -6.984
  582    HD1  TYR  88           HD2      TYR  88  -1.020  -3.691  -7.095
  583    HD2  TYR  88           HD1      TYR  88  -1.332  -7.522  -8.919
  584    HE1  TYR  88           HE2      TYR  88   0.452  -2.941  -8.919
  585    HE2  TYR  88           HE1      TYR  88   0.138  -6.783 -10.741
  586    HH   TYR  88           HH       TYR  88   0.915  -4.815 -11.797
  587    H    SER  89           H        SER  89  -4.110  -6.647  -8.619
  588    HA   SER  89           HA       SER  89  -5.843  -4.906  -9.926
  589    HB2  SER  89           HB2      SER  89  -3.757  -3.528 -10.205
  590    HB3  SER  89           HB3      SER  89  -3.065  -4.853 -11.138
  591    HG   SER  89           HG       SER  89  -5.364  -3.314 -11.771
  592    H    GLY  90           H        GLY  90  -6.834  -6.986 -10.056
  593    HA2  GLY  90           HA1      GLY  90  -6.926  -8.138 -12.484
  594    HA3  GLY  90           HA2      GLY  90  -5.585  -8.988 -11.736
  595    H    GLY  91           H        GLY  91  -6.108  -9.924  -9.514
  596    HA2  GLY  91           HA1      GLY  91  -8.573 -11.460  -9.894
  597    HA3  GLY  91           HA2      GLY  91  -7.217 -11.921  -8.876
  598    HA   PRO  92           HA       PRO  92 -10.549  -8.884  -6.802
  599    HB2  PRO  92           HB2      PRO  92 -12.521 -11.106  -6.922
  600    HB3  PRO  92           HB3      PRO  92 -12.776  -9.364  -7.073
  601    HG2  PRO  92           HG2      PRO  92 -12.877 -10.924  -9.223
  602    HG3  PRO  92           HG3      PRO  92 -12.110  -9.326  -9.298
  603    HD2  PRO  92           HD2      PRO  92 -10.841 -12.030  -9.125
  604    HD3  PRO  92           HD3      PRO  92 -10.352 -10.613 -10.080
  605    H    PHE  93           H        PHE  93  -9.724  -8.941  -4.858
  606    HA   PHE  93           HA       PHE  93  -9.375  -9.475  -2.703
  607    HB2  PHE  93           HB2      PHE  93 -11.219 -11.778  -3.302
  608    HB3  PHE  93           HB3      PHE  93 -10.491 -11.502  -1.722
  609    HD1  PHE  93           HD2      PHE  93 -12.738 -10.014  -4.263
  610    HD2  PHE  93           HD1      PHE  93 -11.405  -9.959  -0.221
  611    HE1  PHE  93           HE2      PHE  93 -14.572  -8.484  -3.680
  612    HE2  PHE  93           HE1      PHE  93 -13.239  -8.428   0.368
  613    HZ   PHE  93           HZ       PHE  93 -14.825  -7.687  -1.365
  614    H    SER  94           H        SER  94  -7.908 -10.891  -5.145
  615    HA   SER  94           HA       SER  94  -6.548 -13.013  -3.788
  616    HB2  SER  94           HB2      SER  94  -5.701 -11.342  -6.169
  617    HB3  SER  94           HB3      SER  94  -4.807 -12.744  -5.567
  618    HG   SER  94           HG       SER  94  -6.169 -13.355  -7.270
  619    H    VAL  95           H        VAL  95  -6.127 -11.993  -1.739
  620    HA   VAL  95           HA       VAL  95  -4.617  -9.645  -1.515
  621    HB   VAL  95           HB       VAL  95  -5.769 -10.276   0.424
  622   HG11  VAL  95          2HG1      VAL  95  -4.347 -12.923   0.337
  623   HG12  VAL  95          1HG1      VAL  95  -6.046 -12.624  -0.031
  624   HG13  VAL  95          3HG1      VAL  95  -5.442 -12.386   1.610
  625   HG21  VAL  95          3HG2      VAL  95  -2.856 -10.873   0.925
  626   HG22  VAL  95          2HG2      VAL  95  -4.044 -10.459   2.159
  627   HG23  VAL  95          1HG2      VAL  95  -3.613  -9.280   0.920
  628    H    SER  96           H        SER  96  -2.814  -9.478  -2.632
  629    HA   SER  96           HA       SER  96  -1.161 -11.688  -3.285
  630    HB2  SER  96           HB2      SER  96  -1.469  -9.852  -4.850
  631    HB3  SER  96           HB3      SER  96  -0.788  -8.712  -3.692
  632    HG   SER  96           HG       SER  96   1.110  -9.225  -4.390
  633    H    SER  97           H        SER  97   0.489 -12.477  -2.287
  634    HA   SER  97           HA       SER  97   1.739 -10.921  -0.107
  635    HB2  SER  97           HB2      SER  97   1.871 -13.907  -0.591
  636    HB3  SER  97           HB3      SER  97   2.449 -13.041   0.833
  637    HG   SER  97           HG       SER  97  -0.163 -12.499   0.279
  638    H    ARG  98           H        ARG  98   3.519  -9.909  -0.768
  639    HA   ARG  98           HA       ARG  98   5.306 -11.292  -2.670
  640    HB2  ARG  98           HB2      ARG  98   3.831  -9.147  -3.345
  641    HB3  ARG  98           HB3      ARG  98   5.207  -8.316  -2.643
  642    HG2  ARG  98           HG2      ARG  98   5.523 -10.384  -4.797
  643    HG3  ARG  98           HG3      ARG  98   5.204  -8.690  -5.157
  644    HD2  ARG  98           HD2      ARG  98   7.254  -8.186  -3.705
  645    HD3  ARG  98           HD3      ARG  98   7.614  -9.907  -3.839
  646    HE   ARG  98           HE       ARG  98   7.178  -9.010  -6.417
  647   HH11  ARG  98          2HH1      ARG  98   9.520  -8.451  -3.860
  648   HH12  ARG  98          1HH1      ARG  98  10.743  -7.854  -4.950
  649   HH21  ARG  98          2HH2      ARG  98   8.792  -8.258  -7.826
  650   HH22  ARG  98          1HH2      ARG  98  10.327  -7.728  -7.184
  651    H    THR  99           H        THR  99   7.514 -11.070  -2.292
  652    HA   THR  99           HA       THR  99   8.199  -9.949   0.334
  653    HB   THR  99           HB       THR  99   9.809 -11.939  -1.274
  654    HG1  THR  99           HG1      THR  99   7.664 -12.699  -0.587
  655   HG21  THR  99          3HG2      THR  99   9.890 -11.144   1.641
  656   HG22  THR  99          1HG2      THR  99  11.080 -10.710   0.415
  657   HG23  THR  99          2HG2      THR  99  10.880 -12.397   0.892
  658    H    ILE 100           H        ILE 100   9.329  -8.128   0.353
  659    HA   ILE 100           HA       ILE 100  10.450  -7.105  -2.132
  660    HB   ILE 100           HB       ILE 100  10.348  -5.833   0.610
  661   HG12  ILE 100          2HG1      ILE 100   8.106  -6.213  -0.306
  662   HG13  ILE 100          3HG1      ILE 100   8.509  -4.486  -0.284
  663   HG21  ILE 100          2HG2      ILE 100  10.815  -3.738  -0.590
  664   HG22  ILE 100          1HG2      ILE 100  11.006  -4.653  -2.086
  665   HG23  ILE 100          3HG2      ILE 100  12.127  -4.906  -0.749
  666   HD11  ILE 100          3HD1      ILE 100   8.580  -6.319  -2.686
  667   HD12  ILE 100          2HD1      ILE 100   9.035  -4.615  -2.684
  668   HD13  ILE 100          1HD1      ILE 100   7.370  -5.083  -2.341
  669    H    SER 101           H        SER 101  12.495  -7.597  -2.663
  670    HA   SER 101           HA       SER 101  14.501  -8.131  -0.666
  671    HB2  SER 101           HB2      SER 101  14.595  -9.145  -2.942
  672    HB3  SER 101           HB3      SER 101  14.838  -7.536  -3.624
  673    HG   SER 101           HG       SER 101  16.826  -8.608  -3.340
  674    H    ALA 102           H        ALA 102  16.050  -6.712   0.104
  675    HA   ALA 102           HA       ALA 102  15.549  -4.063   0.468
  676    HB1  ALA 102           HB1      ALA 102  17.872  -3.783   1.076
  677    HB2  ALA 102           HB2      ALA 102  17.281  -5.344   1.649
  678    HB3  ALA 102           HB3      ALA 102  18.301  -5.260   0.212
  679    H    SER 103           H        SER 103  17.285  -5.477  -2.261
  680    HA   SER 103           HA       SER 103  18.265  -3.222  -3.514
  681    HB2  SER 103           HB2      SER 103  16.997  -5.553  -4.958
  682    HB3  SER 103           HB3      SER 103  18.337  -4.543  -5.504
  683    HG   SER 103           HG       SER 103  19.655  -5.787  -4.444
  684    H    GLU 104           H        GLU 104  15.058  -4.717  -3.932
  685    HA   GLU 104           HA       GLU 104  14.092  -2.600  -5.615
  686    HB2  GLU 104           HB2      GLU 104  12.656  -4.841  -4.180
  687    HB3  GLU 104           HB3      GLU 104  11.879  -3.720  -5.289
  688    HG2  GLU 104           HG2      GLU 104  13.182  -4.518  -7.117
  689    HG3  GLU 104           HG3      GLU 104  14.164  -5.520  -6.043
  690    H    ALA 105           H        ALA 105  14.134  -3.319  -2.222
  691    HA   ALA 105           HA       ALA 105  11.996  -1.842  -1.280
  692    HB1  ALA 105           HB1      ALA 105  13.152  -1.743   0.853
  693    HB2  ALA 105           HB2      ALA 105  13.347  -3.336   0.122
  694    HB3  ALA 105           HB3      ALA 105  14.672  -2.172   0.069
  695    H    GLY 106           H        GLY 106  15.321  -0.745  -1.916
  696    HA2  GLY 106           HA1      GLY 106  14.926   1.909  -1.015
  697    HA3  GLY 106           HA2      GLY 106  16.195   1.378  -2.103
  698    H    ASN 107           H        ASN 107  13.563   0.446  -3.712
  699    HA   ASN 107           HA       ASN 107  13.641   2.825  -5.395
  700    HB2  ASN 107           HB2      ASN 107  14.033   0.807  -6.579
  701    HB3  ASN 107           HB3      ASN 107  12.673   0.001  -5.812
  702   HD21  ASN 107          1HD2      ASN 107  10.681   0.168  -6.690
  703   HD22  ASN 107          2HD2      ASN 107  10.334   1.001  -8.162
  704    H    TYR 108           H        TYR 108  11.568   1.468  -3.049
  705    HA   TYR 108           HA       TYR 108   9.159   2.531  -4.342
  706    HB2  TYR 108           HB2      TYR 108   9.368   0.819  -1.863
  707    HB3  TYR 108           HB3      TYR 108   7.894   1.231  -2.729
  708    HD1  TYR 108           HD2      TYR 108   8.140   0.612  -5.404
  709    HD2  TYR 108           HD1      TYR 108  10.106  -1.326  -2.170
  710    HE1  TYR 108           HE2      TYR 108   8.381  -1.418  -6.770
  711    HE2  TYR 108           HE1      TYR 108  10.348  -3.358  -3.528
  712    HH   TYR 108           HH       TYR 108   9.290  -4.417  -5.451
  713    H    ASN 109           H        ASN 109   7.477   3.356  -2.679
  714    HA   ASN 109           HA       ASN 109   8.734   5.194  -0.743
  715    HB2  ASN 109           HB2      ASN 109   8.052   6.774  -2.269
  716    HB3  ASN 109           HB3      ASN 109   6.791   5.729  -2.944
  717   HD21  ASN 109          1HD2      ASN 109   4.730   5.847  -2.107
  718   HD22  ASN 109          2HD2      ASN 109   4.248   7.037  -0.952
  719    H    TYR 110           H        TYR 110   7.541   5.585   1.192
  720    HA   TYR 110           HA       TYR 110   4.959   4.219   1.385
  721    HB2  TYR 110           HB2      TYR 110   5.327   3.326   3.524
  722    HB3  TYR 110           HB3      TYR 110   6.791   2.954   2.649
  723    HD1  TYR 110           HD1      TYR 110   6.564   6.387   3.928
  724    HD2  TYR 110           HD2      TYR 110   7.704   2.401   4.859
  725    HE1  TYR 110           HE1      TYR 110   7.839   7.208   5.852
  726    HE2  TYR 110           HE2      TYR 110   8.994   3.216   6.778
  727    HH   TYR 110           HH       TYR 110   9.831   5.049   7.810
  728    H    ILE 111           H        ILE 111   3.591   5.220   3.149
  729    HA   ILE 111           HA       ILE 111   4.313   8.037   3.460
  730    HB   ILE 111           HB       ILE 111   1.977   8.707   2.854
  731   HG12  ILE 111          2HG1      ILE 111   1.859   5.937   1.638
  732   HG13  ILE 111          3HG1      ILE 111   0.976   6.432   3.078
  733   HG21  ILE 111          2HG2      ILE 111   2.390   8.649   0.438
  734   HG22  ILE 111          1HG2      ILE 111   3.618   7.405   0.678
  735   HG23  ILE 111          3HG2      ILE 111   3.866   9.023   1.331
  736   HD11  ILE 111          3HD1      ILE 111  -0.177   8.148   1.696
  737   HD12  ILE 111          2HD1      ILE 111  -0.497   6.486   1.194
  738   HD13  ILE 111          1HD1      ILE 111   0.637   7.479   0.275
  739    H    HIS 112           H        HIS 112   4.016   8.762   5.394
  740    HA   HIS 112           HA       HIS 112   2.167   7.340   7.200
  741    HB2  HIS 112           HB2      HIS 112   4.898   8.471   7.630
  742    HB3  HIS 112           HB3      HIS 112   3.752   8.552   8.961
  743    HD1  HIS 112           HD1      HIS 112   3.158   6.375  10.146
  744    HD2  HIS 112           HD2      HIS 112   5.801   5.889   6.971
  745    HE1  HIS 112           HE1      HIS 112   4.051   4.033  10.366
  746    HE2  HIS 112           HE2      HIS 112   5.863   3.887   8.624
  747    H    ILE 113           H        ILE 113   1.746   8.974   9.171
  748    HA   ILE 113           HA       ILE 113   0.433  11.246   7.939
  749    HB   ILE 113           HB       ILE 113   0.429  10.484  10.872
  750   HG12  ILE 113          2HG1      ILE 113  -1.954   9.648  10.213
  751   HG13  ILE 113          3HG1      ILE 113  -1.282   9.535   8.592
  752   HG21  ILE 113          2HG2      ILE 113  -1.651  11.788  10.934
  753   HG22  ILE 113          1HG2      ILE 113  -1.417  12.216   9.238
  754   HG23  ILE 113          3HG2      ILE 113  -0.262  12.765  10.454
  755   HD11  ILE 113          3HD1      ILE 113  -1.215   7.400   9.764
  756   HD12  ILE 113          2HD1      ILE 113  -0.220   8.123  11.027
  757   HD13  ILE 113          1HD1      ILE 113   0.405   7.982   9.383
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1 -25.170  -6.451   0.735
    2    H2   GLY   1           H2       GLY   1 -24.885  -6.574   2.404
    3    H3   GLY   1           H3       GLY   1 -24.221  -7.719   1.347
    4    HA2  GLY   1           HA2      GLY   1 -22.836  -6.019   0.328
    5    HA3  GLY   1           HA1      GLY   1 -23.515  -4.839   1.445
    6    H    SER   2           H        SER   2 -20.897  -4.946   1.568
    7    HA   SER   2           HA       SER   2 -20.360  -6.574   3.964
    8    HB2  SER   2           HB2      SER   2 -19.176  -7.443   1.938
    9    HB3  SER   2           HB3      SER   2 -18.343  -5.894   1.813
   10    HG   SER   2           HG       SER   2 -18.256  -7.236   4.266
   11    H    SER   3           H        SER   3 -19.528  -3.652   2.135
   12    HA   SER   3           HA       SER   3 -18.272  -2.505   4.513
   13    HB2  SER   3           HB2      SER   3 -18.452  -1.447   1.677
   14    HB3  SER   3           HB3      SER   3 -17.523  -0.717   2.988
   15    HG   SER   3           HG       SER   3 -17.136  -3.348   1.989
   16    H    ILE   4           H        ILE   4 -21.154  -2.970   4.281
   17    HA   ILE   4           HA       ILE   4 -22.324  -0.325   3.910
   18    HB   ILE   4           HB       ILE   4 -23.665  -2.974   4.495
   19   HG12  ILE   4          2HG1      ILE   4 -22.467  -3.008   2.354
   20   HG13  ILE   4          3HG1      ILE   4 -24.210  -3.022   2.104
   21   HG21  ILE   4          2HG2      ILE   4 -25.718  -1.905   3.747
   22   HG22  ILE   4          1HG2      ILE   4 -24.853  -0.389   3.499
   23   HG23  ILE   4          3HG2      ILE   4 -25.033  -1.045   5.125
   24   HD11  ILE   4          3HD1      ILE   4 -23.128  -1.568   0.511
   25   HD12  ILE   4          2HD1      ILE   4 -22.391  -0.643   1.819
   26   HD13  ILE   4          1HD1      ILE   4 -24.141  -0.626   1.604
   27    H    SER   5           H        SER   5 -21.153  -2.285   6.422
   28    HA   SER   5           HA       SER   5 -22.980  -1.810   8.486
   29    HB2  SER   5           HB2      SER   5 -19.999  -2.238   8.763
   30    HB3  SER   5           HB3      SER   5 -21.237  -2.576   9.976
   31    HG   SER   5           HG       SER   5 -22.137  -4.094   8.442
   32    H    HIS   6           H        HIS   6 -19.804  -0.208   8.046
   33    HA   HIS   6           HA       HIS   6 -21.025   2.292   8.992
   34    HB2  HIS   6           HB2      HIS   6 -19.864   1.060  10.898
   35    HB3  HIS   6           HB3      HIS   6 -18.355   1.302  10.028
   36    HD1  HIS   6           HD1      HIS   6 -17.251   3.596  10.186
   37    HD2  HIS   6           HD2      HIS   6 -21.025   3.449  11.933
   38    HE1  HIS   6           HE1      HIS   6 -17.498   5.752  11.458
   39    HE2  HIS   6           HE2      HIS   6 -19.850   5.708  12.369
   40    H    SER   7           H        SER   7 -20.046   1.120   6.419
   41    HA   SER   7           HA       SER   7 -18.777   1.605   4.605
   42    HB2  SER   7           HB2      SER   7 -18.381   4.328   5.881
   43    HB3  SER   7           HB3      SER   7 -18.258   3.926   4.169
   44    HG   SER   7           HG       SER   7 -20.611   3.142   4.674
   45    H    GLY   8           H        GLY   8 -17.188   0.090   5.186
   46    HA2  GLY   8           HA1      GLY   8 -15.083   0.605   6.989
   47    HA3  GLY   8           HA2      GLY   8 -15.114  -0.673   5.786
   48    H    ASN   9           H        ASN   9 -15.444   1.299   3.588
   49    HA   ASN   9           HA       ASN   9 -13.018   2.851   3.601
   50    HB2  ASN   9           HB2      ASN   9 -12.301   0.462   3.176
   51    HB3  ASN   9           HB3      ASN   9 -13.219   0.525   1.680
   52   HD21  ASN   9          1HD2      ASN   9 -10.429   0.037   2.048
   53   HD22  ASN   9          2HD2      ASN   9  -9.595   1.265   1.165
   54    H    LEU  10           H        LEU  10 -12.875   4.229   1.815
   55    HA   LEU  10           HA       LEU  10 -15.445   4.879   0.633
   56    HB2  LEU  10           HB2      LEU  10 -12.786   6.260   0.335
   57    HB3  LEU  10           HB3      LEU  10 -14.364   6.927  -0.043
   58    HG   LEU  10           HG       LEU  10 -13.353   6.249   2.722
   59   HD11  LEU  10          2HD1      LEU  10 -12.259   8.203   1.802
   60   HD12  LEU  10          1HD1      LEU  10 -13.399   8.679   3.060
   61   HD13  LEU  10          3HD1      LEU  10 -13.817   8.895   1.360
   62   HD21  LEU  10          3HD2      LEU  10 -15.936   7.531   1.840
   63   HD22  LEU  10          2HD2      LEU  10 -15.397   7.333   3.507
   64   HD23  LEU  10          1HD2      LEU  10 -15.761   5.914   2.524
   65    H    TYR  11           H        TYR  11 -12.529   3.309  -0.215
   66    HA   TYR  11           HA       TYR  11 -12.476   3.984  -2.984
   67    HB2  TYR  11           HB2      TYR  11 -10.642   2.984  -1.275
   68    HB3  TYR  11           HB3      TYR  11 -11.146   1.495  -2.066
   69    HD1  TYR  11           HD1      TYR  11  -9.578   4.789  -2.576
   70    HD2  TYR  11           HD2      TYR  11 -10.554   1.049  -4.355
   71    HE1  TYR  11           HE1      TYR  11  -8.078   5.295  -4.457
   72    HE2  TYR  11           HE2      TYR  11  -9.064   1.550  -6.242
   73    HH   TYR  11           HH       TYR  11  -8.099   3.598  -7.342
   74    H    THR  12           H        THR  12 -12.113   1.667  -4.333
   75    HA   THR  12           HA       THR  12 -14.687   1.028  -5.145
   76    HB   THR  12           HB       THR  12 -12.351  -0.802  -5.615
   77    HG1  THR  12           HG1      THR  12 -12.787   1.587  -7.091
   78   HG21  THR  12          3HG2      THR  12 -14.495  -1.406  -6.629
   79   HG22  THR  12          1HG2      THR  12 -13.320  -0.947  -7.861
   80   HG23  THR  12          2HG2      THR  12 -14.589   0.184  -7.388
   81    H    ALA  13           H        ALA  13 -12.630  -1.687  -4.380
   82    HA   ALA  13           HA       ALA  13 -13.741  -2.696  -2.066
   83    HB1  ALA  13           HB1      ALA  13 -15.876  -2.768  -3.291
   84    HB2  ALA  13           HB2      ALA  13 -15.128  -3.790  -4.518
   85    HB3  ALA  13           HB3      ALA  13 -15.314  -4.386  -2.869
   86    H    GLY  14           H        GLY  14 -12.224  -4.100  -1.451
   87    HA2  GLY  14           HA1      GLY  14 -10.632  -5.751  -1.513
   88    HA3  GLY  14           HA2      GLY  14 -11.477  -6.367  -2.921
   89    H    GLN  15           H        GLN  15 -10.223  -3.151  -3.006
   90    HA   GLN  15           HA       GLN  15  -8.499  -3.835  -5.208
   91    HB2  GLN  15           HB2      GLN  15  -9.246  -1.266  -3.840
   92    HB3  GLN  15           HB3      GLN  15  -7.948  -1.316  -5.022
   93    HG2  GLN  15           HG2      GLN  15 -10.721  -2.296  -5.616
   94    HG3  GLN  15           HG3      GLN  15 -10.214  -0.625  -5.869
   95   HE21  GLN  15          1HE2      GLN  15  -9.881  -3.909  -6.935
   96   HE22  GLN  15          2HE2      GLN  15  -9.032  -3.552  -8.400
   97    H    CYS  16           H        CYS  16  -6.252  -3.165  -5.318
   98    HA   CYS  16           HA       CYS  16  -4.619  -4.013  -3.229
   99    HB2  CYS  16           HB2      CYS  16  -3.943  -3.785  -5.630
  100    HB3  CYS  16           HB3      CYS  16  -3.898  -2.042  -5.414
  101    HG   CYS  16           HG       CYS  16  -1.926  -2.462  -3.227
  102    H    THR  17           H        THR  17  -5.576  -0.744  -4.224
  103    HA   THR  17           HA       THR  17  -4.212   0.555  -2.054
  104    HB   THR  17           HB       THR  17  -5.568   2.557  -2.819
  105    HG1  THR  17           HG1      THR  17  -6.668   2.196  -4.862
  106   HG21  THR  17          3HG2      THR  17  -4.029   1.063  -4.945
  107   HG22  THR  17          1HG2      THR  17  -3.339   2.133  -3.724
  108   HG23  THR  17          2HG2      THR  17  -4.408   2.786  -4.967
  109    H    TRP  18           H        TRP  18  -7.405  -0.708  -2.650
  110    HA   TRP  18           HA       TRP  18  -8.787   0.495  -0.503
  111    HB2  TRP  18           HB2      TRP  18  -9.829  -0.630  -2.464
  112    HB3  TRP  18           HB3      TRP  18  -9.281  -2.173  -1.837
  113    HD1  TRP  18           HD1      TRP  18 -12.012   0.432  -1.428
  114    HE1  TRP  18           HE1      TRP  18 -13.846  -0.519   0.114
  115    HE3  TRP  18           HE3      TRP  18  -9.585  -3.759   0.250
  116    HZ2  TRP  18           HZ2      TRP  18 -14.199  -2.731   1.831
  117    HZ3  TRP  18           HZ3      TRP  18 -10.745  -5.231   1.842
  118    HH2  TRP  18           HH2      TRP  18 -13.003  -4.727   2.617
  119    H    TYR  19           H        TYR  19  -7.094  -2.620  -0.846
  120    HA   TYR  19           HA       TYR  19  -7.546  -3.624   1.717
  121    HB2  TYR  19           HB2      TYR  19  -6.535  -4.927  -0.110
  122    HB3  TYR  19           HB3      TYR  19  -5.084  -3.939  -0.013
  123    HD1  TYR  19           HD2      TYR  19  -7.142  -6.384   1.868
  124    HD2  TYR  19           HD1      TYR  19  -3.365  -4.463   1.525
  125    HE1  TYR  19           HE2      TYR  19  -6.207  -7.944   3.520
  126    HE2  TYR  19           HE1      TYR  19  -2.420  -6.018   3.179
  127    HH   TYR  19           HH       TYR  19  -4.008  -8.846   4.166
  128    H    VAL  20           H        VAL  20  -4.896  -1.622   0.516
  129    HA   VAL  20           HA       VAL  20  -3.382  -1.408   2.823
  130    HB   VAL  20           HB       VAL  20  -3.811   0.609   0.614
  131   HG11  VAL  20          2HG1      VAL  20  -1.672   0.556   2.737
  132   HG12  VAL  20          1HG1      VAL  20  -2.987   1.724   2.620
  133   HG13  VAL  20          3HG1      VAL  20  -1.746   1.667   1.369
  134   HG21  VAL  20          3HG2      VAL  20  -1.671  -0.235  -0.218
  135   HG22  VAL  20          2HG2      VAL  20  -2.872  -1.523  -0.110
  136   HG23  VAL  20          1HG2      VAL  20  -1.607  -1.391   1.112
  137    H    TYR  21           H        TYR  21  -5.903   0.808   1.668
  138    HA   TYR  21           HA       TYR  21  -5.742   2.628   3.781
  139    HB2  TYR  21           HB2      TYR  21  -6.892   3.020   1.604
  140    HB3  TYR  21           HB3      TYR  21  -8.189   1.963   2.143
  141    HD1  TYR  21           HD2      TYR  21  -6.390   5.081   3.086
  142    HD2  TYR  21           HD1      TYR  21  -9.996   2.838   3.289
  143    HE1  TYR  21           HE2      TYR  21  -7.513   6.997   4.130
  144    HE2  TYR  21           HE1      TYR  21 -11.136   4.739   4.332
  145    HH   TYR  21           HH       TYR  21 -10.597   6.748   5.595
  146    H    ASP  22           H        ASP  22  -7.681  -0.299   3.423
  147    HA   ASP  22           HA       ASP  22  -9.194   0.095   5.804
  148    HB2  ASP  22           HB2      ASP  22  -9.983  -1.354   3.990
  149    HB3  ASP  22           HB3      ASP  22  -8.631  -2.446   4.258
  150    H    LYS  23           H        LYS  23  -6.209  -1.634   5.040
  151    HA   LYS  23           HA       LYS  23  -5.966  -2.925   7.561
  152    HB2  LYS  23           HB2      LYS  23  -3.973  -2.367   5.369
  153    HB3  LYS  23           HB3      LYS  23  -3.565  -3.266   6.825
  154    HG2  LYS  23           HG2      LYS  23  -5.863  -4.085   5.091
  155    HG3  LYS  23           HG3      LYS  23  -4.210  -4.575   4.723
  156    HD2  LYS  23           HD2      LYS  23  -5.539  -5.062   7.383
  157    HD3  LYS  23           HD3      LYS  23  -5.546  -6.231   6.062
  158    HE2  LYS  23           HE2      LYS  23  -3.063  -6.165   6.069
  159    HE3  LYS  23           HE3      LYS  23  -3.130  -5.112   7.479
  160    HZ1  LYS  23           HZ1      LYS  23  -2.758  -7.476   8.018
  161    HZ2  LYS  23           HZ2      LYS  23  -4.286  -7.849   7.381
  162    HZ3  LYS  23           HZ3      LYS  23  -4.161  -6.848   8.742
  163    H    VAL  24           H        VAL  24  -4.944   0.214   6.377
  164    HA   VAL  24           HA       VAL  24  -3.342   0.707   8.739
  165    HB   VAL  24           HB       VAL  24  -2.999   2.960   7.864
  166   HG11  VAL  24          2HG1      VAL  24  -2.665   0.825   5.763
  167   HG12  VAL  24          1HG1      VAL  24  -1.546   1.179   7.080
  168   HG13  VAL  24          3HG1      VAL  24  -1.815   2.370   5.808
  169   HG21  VAL  24          3HG2      VAL  24  -3.913   3.621   5.690
  170   HG22  VAL  24          2HG2      VAL  24  -5.187   3.360   6.879
  171   HG23  VAL  24          1HG2      VAL  24  -4.871   2.141   5.642
  172    H    GLY  25           H        GLY  25  -6.538   0.506   8.267
  173    HA2  GLY  25           HA1      GLY  25  -8.266   1.020   9.702
  174    HA3  GLY  25           HA2      GLY  25  -7.111   1.863  10.720
  175    H    GLY  26           H        GLY  26  -7.381   2.686   7.365
  176    HA2  GLY  26           HA1      GLY  26  -8.093   4.597   6.314
  177    HA3  GLY  26           HA2      GLY  26  -9.316   4.728   7.572
  178    H    GLU  27           H        GLU  27  -5.991   4.616   8.483
  179    HA   GLU  27           HA       GLU  27  -6.173   7.090   9.851
  180    HB2  GLU  27           HB2      GLU  27  -4.691   5.000  10.336
  181    HB3  GLU  27           HB3      GLU  27  -3.562   5.756   9.222
  182    HG2  GLU  27           HG2      GLU  27  -2.996   6.319  11.493
  183    HG3  GLU  27           HG3      GLU  27  -3.529   7.761  10.626
  184    H    ILE  28           H        ILE  28  -4.509   6.057   6.908
  185    HA   ILE  28           HA       ILE  28  -4.410   8.878   6.094
  186    HB   ILE  28           HB       ILE  28  -2.238   8.858   5.458
  187   HG12  ILE  28          2HG1      ILE  28  -2.713   7.044   3.739
  188   HG13  ILE  28          3HG1      ILE  28  -1.058   7.128   4.338
  189   HG21  ILE  28          2HG2      ILE  28  -2.126   6.496   7.321
  190   HG22  ILE  28          1HG2      ILE  28  -2.139   8.196   7.795
  191   HG23  ILE  28          3HG2      ILE  28  -0.775   7.544   6.887
  192   HD11  ILE  28          3HD1      ILE  28  -1.678   5.250   5.909
  193   HD12  ILE  28          2HD1      ILE  28  -1.622   4.847   4.190
  194   HD13  ILE  28          1HD1      ILE  28  -3.178   5.100   4.990
  195    H    GLY  29           H        GLY  29  -4.797   9.236   3.853
  196    HA2  GLY  29           HA1      GLY  29  -4.493   7.914   1.687
  197    HA3  GLY  29           HA2      GLY  29  -5.669   6.830   2.407
  198    H    SER  30           H        SER  30  -7.399   6.982   1.291
  199    HA   SER  30           HA       SER  30  -9.183   7.657   0.145
  200    HB2  SER  30           HB2      SER  30 -10.424   9.649   0.946
  201    HB3  SER  30           HB3      SER  30  -9.965   8.551   2.243
  202    HG   SER  30           HG       SER  30  -9.169  10.285   3.117
  203    H    THR  31           H        THR  31  -7.287  10.658   0.520
  204    HA   THR  31           HA       THR  31  -7.992  11.345  -2.237
  205    HB   THR  31           HB       THR  31  -8.421  13.040  -0.536
  206    HG1  THR  31           HG1      THR  31  -6.537  13.484  -2.567
  207   HG21  THR  31          3HG2      THR  31  -5.443  12.997  -0.053
  208   HG22  THR  31          1HG2      THR  31  -6.683  12.435   1.068
  209   HG23  THR  31          2HG2      THR  31  -6.584  14.147   0.647
  210    H    TRP  32           H        TRP  32  -5.831   9.374  -1.282
  211    HA   TRP  32           HA       TRP  32  -3.390  10.589  -2.233
  212    HB2  TRP  32           HB2      TRP  32  -2.354   8.416  -1.867
  213    HB3  TRP  32           HB3      TRP  32  -3.283   8.909  -0.459
  214    HD1  TRP  32           HD1      TRP  32  -5.103   7.356  -3.426
  215    HE1  TRP  32           HE1      TRP  32  -5.977   5.065  -2.764
  216    HE3  TRP  32           HE3      TRP  32  -2.772   6.943   1.073
  217    HZ2  TRP  32           HZ2      TRP  32  -5.730   3.264  -0.565
  218    HZ3  TRP  32           HZ3      TRP  32  -3.142   4.899   2.414
  219    HH2  TRP  32           HH2      TRP  32  -4.589   3.101   1.608
  220    H    GLY  33           H        GLY  33  -6.057   9.472  -3.775
  221    HA2  GLY  33           HA1      GLY  33  -6.357   9.359  -6.086
  222    HA3  GLY  33           HA2      GLY  33  -4.606   9.393  -6.261
  223    H    ASN  34           H        ASN  34  -4.050   7.698  -7.402
  224    HA   ASN  34           HA       ASN  34  -5.022   5.079  -6.492
  225    HB2  ASN  34           HB2      ASN  34  -3.740   5.685  -9.167
  226    HB3  ASN  34           HB3      ASN  34  -4.502   4.184  -8.656
  227   HD21  ASN  34          1HD2      ASN  34  -6.777   5.476  -7.401
  228   HD22  ASN  34          2HD2      ASN  34  -7.761   6.082  -8.690
  229    H    ALA  35           H        ALA  35  -3.086   3.433  -7.390
  230    HA   ALA  35           HA       ALA  35  -1.220   3.735  -5.319
  231    HB1  ALA  35           HB1      ALA  35  -0.189   1.722  -6.192
  232    HB2  ALA  35           HB2      ALA  35  -1.949   1.577  -6.176
  233    HB3  ALA  35           HB3      ALA  35  -1.105   1.892  -7.691
  234    H    ASN  36           H        ASN  36  -0.877   4.283  -8.832
  235    HA   ASN  36           HA       ASN  36   1.928   4.940  -8.487
  236    HB2  ASN  36           HB2      ASN  36   2.023   5.212 -10.882
  237    HB3  ASN  36           HB3      ASN  36   1.138   3.736 -10.517
  238   HD21  ASN  36          1HD2      ASN  36   1.097   5.243 -12.932
  239   HD22  ASN  36          2HD2      ASN  36  -0.537   5.767 -13.179
  240    H    ASN  37           H        ASN  37  -0.688   6.587  -7.693
  241    HA   ASN  37           HA       ASN  37   0.499   9.191  -8.425
  242    HB2  ASN  37           HB2      ASN  37  -1.806   8.780  -9.320
  243    HB3  ASN  37           HB3      ASN  37  -2.382   8.607  -7.667
  244   HD21  ASN  37          1HD2      ASN  37  -3.804  10.323  -7.868
  245   HD22  ASN  37          2HD2      ASN  37  -3.278  11.967  -7.929
  246    H    TRP  38           H        TRP  38   0.527   7.034  -6.106
  247    HA   TRP  38           HA       TRP  38  -0.525   8.091  -3.786
  248    HB2  TRP  38           HB2      TRP  38   1.370   6.008  -4.464
  249    HB3  TRP  38           HB3      TRP  38   1.783   6.808  -2.944
  250    HD1  TRP  38           HD1      TRP  38  -1.763   5.953  -4.243
  251    HE1  TRP  38           HE1      TRP  38  -2.897   4.525  -2.462
  252    HE3  TRP  38           HE3      TRP  38   2.171   5.464  -1.050
  253    HZ2  TRP  38           HZ2      TRP  38  -2.180   3.310   0.049
  254    HZ3  TRP  38           HZ3      TRP  38   1.885   4.158   1.005
  255    HH2  TRP  38           HH2      TRP  38  -0.240   3.103   1.539
  256    H    ALA  39           H        ALA  39   2.945   8.181  -4.622
  257    HA   ALA  39           HA       ALA  39   3.761   9.655  -2.447
  258    HB1  ALA  39           HB1      ALA  39   5.790  10.136  -3.661
  259    HB2  ALA  39           HB2      ALA  39   5.265   8.490  -4.015
  260    HB3  ALA  39           HB3      ALA  39   4.997   9.774  -5.195
  261    H    ALA  40           H        ALA  40   2.416  10.830  -5.467
  262    HA   ALA  40           HA       ALA  40   3.033  13.578  -4.945
  263    HB1  ALA  40           HB1      ALA  40   2.802  12.736  -7.226
  264    HB2  ALA  40           HB2      ALA  40   1.104  12.369  -6.923
  265    HB3  ALA  40           HB3      ALA  40   1.662  14.043  -6.907
  266    H    ALA  41           H        ALA  41   0.020  11.655  -4.871
  267    HA   ALA  41           HA       ALA  41  -1.562  13.859  -3.984
  268    HB1  ALA  41           HB1      ALA  41  -3.369  12.283  -3.818
  269    HB2  ALA  41           HB2      ALA  41  -2.459  11.972  -5.296
  270    HB3  ALA  41           HB3      ALA  41  -2.249  10.922  -3.892
  271    H    ALA  42           H        ALA  42  -0.023  11.131  -2.373
  272    HA   ALA  42           HA       ALA  42  -0.986  11.417   0.216
  273    HB1  ALA  42           HB1      ALA  42   0.435   9.569  -0.362
  274    HB2  ALA  42           HB2      ALA  42   1.770  10.655  -0.760
  275    HB3  ALA  42           HB3      ALA  42   1.232  10.494   0.910
  276    H    GLN  43           H        GLN  43   1.900  12.972  -1.242
  277    HA   GLN  43           HA       GLN  43   2.433  14.621   1.002
  278    HB2  GLN  43           HB2      GLN  43   3.291  14.869  -1.885
  279    HB3  GLN  43           HB3      GLN  43   3.886  15.902  -0.590
  280    HG2  GLN  43           HG2      GLN  43   4.793  13.954   0.558
  281    HG3  GLN  43           HG3      GLN  43   4.190  12.910  -0.729
  282   HE21  GLN  43          1HE2      GLN  43   5.187  12.961  -2.742
  283   HE22  GLN  43          2HE2      GLN  43   6.787  13.604  -2.954
  284    H    GLY  44           H        GLY  44   0.439  15.000  -1.843
  285    HA2  GLY  44           HA1      GLY  44  -0.139  17.753  -1.558
  286    HA3  GLY  44           HA2      GLY  44  -1.154  16.569  -2.373
  287    H    ALA  45           H        ALA  45  -1.410  14.884  -0.017
  288    HA   ALA  45           HA       ALA  45  -3.538  16.316   1.321
  289    HB1  ALA  45           HB1      ALA  45  -4.049  14.202   2.371
  290    HB2  ALA  45           HB2      ALA  45  -3.786  13.954   0.645
  291    HB3  ALA  45           HB3      ALA  45  -2.528  13.513   1.799
  292    H    GLY  46           H        GLY  46  -0.234  15.557   1.886
  293    HA2  GLY  46           HA1      GLY  46   0.915  16.925   3.535
  294    HA3  GLY  46           HA2      GLY  46  -0.482  16.728   4.580
  295    H    PHE  47           H        PHE  47   0.850  14.054   2.757
  296    HA   PHE  47           HA       PHE  47   1.527  12.710   5.257
  297    HB2  PHE  47           HB2      PHE  47   1.584  11.684   2.409
  298    HB3  PHE  47           HB3      PHE  47   1.871  10.713   3.845
  299    HD1  PHE  47           HD2      PHE  47  -0.607  12.793   4.932
  300    HD2  PHE  47           HD1      PHE  47  -0.008   9.634   2.145
  301    HE1  PHE  47           HE2      PHE  47  -3.013  12.275   4.995
  302    HE2  PHE  47           HE1      PHE  47  -2.402   9.107   2.200
  303    HZ   PHE  47           HZ       PHE  47  -3.909  10.439   3.619
  304    H    THR  48           H        THR  48   3.581  11.663   5.540
  305    HA   THR  48           HA       THR  48   5.787  13.193   4.339
  306    HB   THR  48           HB       THR  48   6.095  11.229   6.600
  307    HG1  THR  48           HG1      THR  48   4.362  12.862   7.019
  308   HG21  THR  48          3HG2      THR  48   7.918  12.760   7.224
  309   HG22  THR  48          1HG2      THR  48   7.534  13.772   5.831
  310   HG23  THR  48          2HG2      THR  48   8.119  12.125   5.592
  311    H    VAL  49           H        VAL  49   6.186  12.128   2.361
  312    HA   VAL  49           HA       VAL  49   6.501   9.229   2.529
  313    HB   VAL  49           HB       VAL  49   5.990   9.008   0.351
  314   HG11  VAL  49          2HG1      VAL  49   4.149  10.270   1.292
  315   HG12  VAL  49          1HG1      VAL  49   4.356  10.635  -0.422
  316   HG13  VAL  49          3HG1      VAL  49   4.915  11.780   0.798
  317   HG21  VAL  49          3HG2      VAL  49   6.527  10.648  -1.445
  318   HG22  VAL  49          2HG2      VAL  49   7.938  10.006  -0.598
  319   HG23  VAL  49          1HG2      VAL  49   7.350  11.629  -0.230
  320    H    ASN  50           H        ASN  50   8.377   8.299   2.630
  321    HA   ASN  50           HA       ASN  50  10.746   9.689   1.573
  322    HB2  ASN  50           HB2      ASN  50  10.808   7.560   3.727
  323    HB3  ASN  50           HB3      ASN  50  12.117   8.620   3.231
  324   HD21  ASN  50          1HD2      ASN  50  10.949   8.075   5.848
  325   HD22  ASN  50          2HD2      ASN  50  10.481   9.612   6.478
  326    H    HIS  51           H        HIS  51  12.007   6.902   2.213
  327    HA   HIS  51           HA       HIS  51  10.407   5.064   0.752
  328    HB2  HIS  51           HB2      HIS  51  12.169   4.599  -1.036
  329    HB3  HIS  51           HB3      HIS  51  11.236   6.074  -1.231
  330    HD1  HIS  51           HD1      HIS  51  12.505   8.310  -1.124
  331    HD2  HIS  51           HD2      HIS  51  14.908   4.973  -0.454
  332    HE1  HIS  51           HE1      HIS  51  14.877   9.138  -1.256
  333    HE2  HIS  51           HE2      HIS  51  16.315   7.089  -0.954
  334    H    THR  52           H        THR  52  10.648   4.032   2.743
  335    HA   THR  52           HA       THR  52  12.778   2.114   2.810
  336    HB   THR  52           HB       THR  52  12.540   4.094   5.102
  337    HG1  THR  52           HG1      THR  52  14.047   4.115   2.895
  338   HG21  THR  52          3HG2      THR  52  14.383   2.825   6.123
  339   HG22  THR  52          1HG2      THR  52  14.295   1.651   4.810
  340   HG23  THR  52          2HG2      THR  52  12.940   1.832   5.924
  341    HA   PRO  53           HA       PRO  53   8.865   0.215   3.986
  342    HB2  PRO  53           HB2      PRO  53   9.954  -2.279   4.474
  343    HB3  PRO  53           HB3      PRO  53   9.442  -1.696   2.885
  344    HG2  PRO  53           HG2      PRO  53  12.180  -1.705   4.105
  345    HG3  PRO  53           HG3      PRO  53  11.686  -2.153   2.460
  346    HD2  PRO  53           HD2      PRO  53  12.785   0.216   2.910
  347    HD3  PRO  53           HD3      PRO  53  11.390   0.072   1.812
  348    H    SER  54           H        SER  54   7.880  -0.596   5.847
  349    HA   SER  54           HA       SER  54   9.314  -0.996   8.284
  350    HB2  SER  54           HB2      SER  54   7.620   1.511   7.993
  351    HB3  SER  54           HB3      SER  54   8.316   0.917   9.499
  352    HG   SER  54           HG       SER  54  10.263   1.103   7.679
  353    H    LYS  55           H        LYS  55   7.978  -1.922   9.845
  354    HA   LYS  55           HA       LYS  55   5.640  -3.214   8.946
  355    HB2  LYS  55           HB2      LYS  55   7.102  -4.012  10.800
  356    HB3  LYS  55           HB3      LYS  55   6.506  -2.697  11.799
  357    HG2  LYS  55           HG2      LYS  55   4.302  -3.605  11.808
  358    HG3  LYS  55           HG3      LYS  55   4.750  -4.822  10.610
  359    HD2  LYS  55           HD2      LYS  55   4.711  -5.876  12.750
  360    HD3  LYS  55           HD3      LYS  55   6.397  -5.722  12.253
  361    HE2  LYS  55           HE2      LYS  55   6.281  -5.115  14.547
  362    HE3  LYS  55           HE3      LYS  55   6.505  -3.625  13.631
  363    HZ1  LYS  55           HZ1      LYS  55   4.152  -3.169  13.826
  364    HZ2  LYS  55           HZ2      LYS  55   4.825  -3.398  15.366
  365    HZ3  LYS  55           HZ3      LYS  55   3.902  -4.629  14.654
  366    H    GLY  56           H        GLY  56   3.721  -2.320   8.555
  367    HA2  GLY  56           HA1      GLY  56   1.751  -1.203   9.342
  368    HA3  GLY  56           HA2      GLY  56   2.776  -0.174  10.335
  369    H    ALA  57           H        ALA  57   4.359  -0.401   7.501
  370    HA   ALA  57           HA       ALA  57   3.180   2.106   6.523
  371    HB1  ALA  57           HB1      ALA  57   5.275   2.420   5.322
  372    HB2  ALA  57           HB2      ALA  57   5.566   2.167   7.044
  373    HB3  ALA  57           HB3      ALA  57   5.852   0.855   5.898
  374    H    ILE  58           H        ILE  58   4.075   2.061   3.894
  375    HA   ILE  58           HA       ILE  58   2.825  -0.320   2.725
  376    HB   ILE  58           HB       ILE  58   2.122   2.460   1.775
  377   HG12  ILE  58          2HG1      ILE  58  -0.224   1.658   2.708
  378   HG13  ILE  58          3HG1      ILE  58   0.777   0.715   3.799
  379   HG21  ILE  58          2HG2      ILE  58   1.986   0.732   0.083
  380   HG22  ILE  58          1HG2      ILE  58   0.373   1.299   0.514
  381   HG23  ILE  58          3HG2      ILE  58   0.960  -0.247   1.132
  382   HD11  ILE  58          3HD1      ILE  58   1.872   2.772   4.556
  383   HD12  ILE  58          2HD1      ILE  58   0.128   2.807   4.820
  384   HD13  ILE  58          1HD1      ILE  58   0.835   3.706   3.478
  385    H    LEU  59           H        LEU  59   3.688  -0.942   0.780
  386    HA   LEU  59           HA       LEU  59   6.136   0.461  -0.009
  387    HB2  LEU  59           HB2      LEU  59   6.031  -2.037   0.560
  388    HB3  LEU  59           HB3      LEU  59   5.178  -2.246  -0.958
  389    HG   LEU  59           HG       LEU  59   7.653  -2.763  -1.020
  390   HD11  LEU  59          2HD1      LEU  59   6.382  -2.338  -3.042
  391   HD12  LEU  59          1HD1      LEU  59   8.019  -1.698  -3.167
  392   HD13  LEU  59          3HD1      LEU  59   6.668  -0.607  -2.865
  393   HD21  LEU  59          3HD2      LEU  59   7.915   0.225  -0.814
  394   HD22  LEU  59          2HD2      LEU  59   9.212  -0.937  -1.078
  395   HD23  LEU  59          1HD2      LEU  59   8.342  -0.923   0.456
  396    H    GLN  60           H        GLN  60   6.333   1.504  -1.908
  397    HA   GLN  60           HA       GLN  60   4.050   1.403  -3.781
  398    HB2  GLN  60           HB2      GLN  60   3.838   3.575  -3.246
  399    HB3  GLN  60           HB3      GLN  60   5.367   3.588  -2.389
  400    HG2  GLN  60           HG2      GLN  60   5.574   5.223  -4.035
  401    HG3  GLN  60           HG3      GLN  60   6.476   3.841  -4.662
  402   HE21  GLN  60          1HE2      GLN  60   3.004   3.942  -4.648
  403   HE22  GLN  60          2HE2      GLN  60   2.798   4.119  -6.352
  404    H    SER  61           H        SER  61   4.385   0.960  -5.794
  405    HA   SER  61           HA       SER  61   7.047   1.313  -6.977
  406    HB2  SER  61           HB2      SER  61   6.673  -1.101  -6.440
  407    HB3  SER  61           HB3      SER  61   5.233  -1.067  -7.457
  408    HG   SER  61           HG       SER  61   7.685  -0.224  -8.534
  409    H    SER  62           H        SER  62   6.972   1.693  -9.282
  410    HA   SER  62           HA       SER  62   4.848   3.428  -9.987
  411    HB2  SER  62           HB2      SER  62   7.007   2.258 -11.758
  412    HB3  SER  62           HB3      SER  62   6.014   3.670 -12.125
  413    HG   SER  62           HG       SER  62   7.217   3.883  -9.698
  414    H    GLU  63           H        GLU  63   5.926   0.529 -11.769
  415    HA   GLU  63           HA       GLU  63   4.820  -1.000 -13.011
  416    HB2  GLU  63           HB2      GLU  63   2.712  -0.388 -10.948
  417    HB3  GLU  63           HB3      GLU  63   2.488  -1.623 -12.180
  418    HG2  GLU  63           HG2      GLU  63   4.797  -1.578 -10.258
  419    HG3  GLU  63           HG3      GLU  63   3.299  -2.465  -9.978
  420    H    GLY  64           H        GLY  64   2.296  -1.279 -13.987
  421    HA2  GLY  64           HA1      GLY  64   2.195   1.061 -15.761
  422    HA3  GLY  64           HA2      GLY  64   1.749  -0.572 -16.211
  423    HA   PRO  65           HA       PRO  65  -2.467  -0.370 -15.748
  424    HB2  PRO  65           HB2      PRO  65  -3.120  -1.480 -13.235
  425    HB3  PRO  65           HB3      PRO  65  -3.053  -2.316 -14.786
  426    HG2  PRO  65           HG2      PRO  65  -1.027  -2.177 -12.617
  427    HG3  PRO  65           HG3      PRO  65  -1.369  -3.488 -13.761
  428    HD2  PRO  65           HD2      PRO  65   0.797  -1.933 -14.021
  429    HD3  PRO  65           HD3      PRO  65  -0.099  -2.514 -15.444
  430    H    PHE  66           H        PHE  66  -1.693   0.067 -12.285
  431    HA   PHE  66           HA       PHE  66  -2.713   2.789 -12.401
  432    HB2  PHE  66           HB2      PHE  66  -4.381   2.479 -10.694
  433    HB3  PHE  66           HB3      PHE  66  -4.696   1.327 -11.986
  434    HD1  PHE  66           HD2      PHE  66  -3.758  -1.055 -11.653
  435    HD2  PHE  66           HD1      PHE  66  -4.246   1.765  -8.509
  436    HE1  PHE  66           HE2      PHE  66  -3.734  -2.889 -10.010
  437    HE2  PHE  66           HE1      PHE  66  -4.227  -0.059  -6.859
  438    HZ   PHE  66           HZ       PHE  66  -3.969  -2.392  -7.609
  439    H    GLY  67           H        GLY  67  -0.280   1.025 -11.669
  440    HA2  GLY  67           HA1      GLY  67   1.537   1.724 -10.329
  441    HA3  GLY  67           HA2      GLY  67   0.398   2.528  -9.258
  442    H    HIS  68           H        HIS  68   2.007   1.277  -7.786
  443    HA   HIS  68           HA       HIS  68   0.574  -1.147  -6.970
  444    HB2  HIS  68           HB2      HIS  68   2.761  -1.555  -8.389
  445    HB3  HIS  68           HB3      HIS  68   3.559  -1.140  -6.864
  446    HD1  HIS  68           HD1      HIS  68   2.490  -3.998  -8.645
  447    HD2  HIS  68           HD2      HIS  68   2.262  -2.819  -4.666
  448    HE1  HIS  68           HE1      HIS  68   2.105  -6.111  -7.326
  449    HE2  HIS  68           HE2      HIS  68   1.673  -5.314  -4.968
  450    H    VAL  69           H        VAL  69  -0.139  -0.406  -4.970
  451    HA   VAL  69           HA       VAL  69   2.092   0.102  -3.135
  452    HB   VAL  69           HB       VAL  69   0.553   1.443  -1.709
  453   HG11  VAL  69          2HG1      VAL  69   0.745   3.468  -3.065
  454   HG12  VAL  69          1HG1      VAL  69   1.032   2.484  -4.499
  455   HG13  VAL  69          3HG1      VAL  69   2.205   2.484  -3.182
  456   HG21  VAL  69          3HG2      VAL  69  -1.223   1.339  -4.145
  457   HG22  VAL  69          2HG2      VAL  69  -1.450   2.413  -2.764
  458   HG23  VAL  69          1HG2      VAL  69  -1.585   0.666  -2.555
  459    H    ALA  70           H        ALA  70   2.375  -1.519  -1.847
  460    HA   ALA  70           HA       ALA  70   0.048  -3.146  -1.054
  461    HB1  ALA  70           HB1      ALA  70   1.566  -5.034  -0.832
  462    HB2  ALA  70           HB2      ALA  70   1.651  -4.364  -2.462
  463    HB3  ALA  70           HB3      ALA  70   2.927  -4.013  -1.295
  464    H    TYR  71           H        TYR  71  -0.334  -3.395   1.072
  465    HA   TYR  71           HA       TYR  71   0.972  -1.590   2.846
  466    HB2  TYR  71           HB2      TYR  71  -1.344  -1.865   3.184
  467    HB3  TYR  71           HB3      TYR  71  -1.226  -3.625   3.170
  468    HD1  TYR  71           HD2      TYR  71  -0.386  -0.604   5.159
  469    HD2  TYR  71           HD1      TYR  71  -0.905  -4.829   5.156
  470    HE1  TYR  71           HE2      TYR  71  -0.233  -0.613   7.613
  471    HE2  TYR  71           HE1      TYR  71  -0.755  -4.848   7.614
  472    HH   TYR  71           HH       TYR  71  -0.900  -1.998   9.498
  473    H    VAL  72           H        VAL  72   2.621  -1.920   4.125
  474    HA   VAL  72           HA       VAL  72   3.994  -4.471   4.045
  475    HB   VAL  72           HB       VAL  72   4.820  -1.971   5.522
  476   HG11  VAL  72          2HG1      VAL  72   6.038  -3.961   6.158
  477   HG12  VAL  72          1HG1      VAL  72   7.082  -2.871   5.245
  478   HG13  VAL  72          3HG1      VAL  72   6.410  -4.304   4.467
  479   HG21  VAL  72          3HG2      VAL  72   6.117  -1.330   3.561
  480   HG22  VAL  72          2HG2      VAL  72   4.394  -1.396   3.184
  481   HG23  VAL  72          1HG2      VAL  72   5.465  -2.702   2.663
  482    H    GLU  73           H        GLU  73   3.513  -5.990   5.496
  483    HA   GLU  73           HA       GLU  73   2.262  -5.186   7.996
  484    HB2  GLU  73           HB2      GLU  73   2.656  -7.925   6.783
  485    HB3  GLU  73           HB3      GLU  73   1.861  -7.624   8.322
  486    HG2  GLU  73           HG2      GLU  73   0.294  -6.096   6.987
  487    HG3  GLU  73           HG3      GLU  73   0.946  -6.908   5.566
  488    H    SER  74           H        SER  74   5.350  -6.083   6.849
  489    HA   SER  74           HA       SER  74   6.593  -5.776   9.334
  490    HB2  SER  74           HB2      SER  74   7.290  -8.144   9.759
  491    HB3  SER  74           HB3      SER  74   5.562  -7.871   9.982
  492    HG   SER  74           HG       SER  74   5.252  -9.362   8.547
  493    H    VAL  75           H        VAL  75   8.771  -5.585   9.110
  494    HA   VAL  75           HA       VAL  75   9.980  -6.505   6.590
  495    HB   VAL  75           HB       VAL  75  11.209  -4.729   8.718
  496   HG11  VAL  75          2HG1      VAL  75  12.833  -5.994   7.375
  497   HG12  VAL  75          1HG1      VAL  75  12.915  -4.264   7.042
  498   HG13  VAL  75          3HG1      VAL  75  12.113  -5.344   5.900
  499   HG21  VAL  75          3HG2      VAL  75   9.975  -3.974   6.068
  500   HG22  VAL  75          2HG2      VAL  75  10.834  -2.878   7.150
  501   HG23  VAL  75          1HG2      VAL  75   9.316  -3.613   7.662
  502    H    ASN  76           H        ASN  76  11.258  -8.262   6.608
  503    HA   ASN  76           HA       ASN  76  11.189  -9.851   9.000
  504    HB2  ASN  76           HB2      ASN  76  12.403 -10.478   6.306
  505    HB3  ASN  76           HB3      ASN  76  12.123 -11.634   7.601
  506   HD21  ASN  76          1HD2      ASN  76  11.129 -11.572   4.862
  507   HD22  ASN  76          2HD2      ASN  76   9.400 -11.598   4.981
  508    H    SER  77           H        SER  77  13.080 -11.011   9.810
  509    HA   SER  77           HA       SER  77  15.128  -9.211  10.534
  510    HB2  SER  77           HB2      SER  77  16.149 -11.384  11.495
  511    HB3  SER  77           HB3      SER  77  14.591 -10.846  12.128
  512    HG   SER  77           HG       SER  77  15.224 -13.098  10.681
  513    H    ASP  78           H        ASP  78  14.806 -11.364   7.868
  514    HA   ASP  78           HA       ASP  78  17.671 -11.552   7.415
  515    HB2  ASP  78           HB2      ASP  78  15.291 -12.636   5.914
  516    HB3  ASP  78           HB3      ASP  78  16.940 -12.789   5.318
  517    H    GLY  79           H        GLY  79  15.561  -9.143   6.996
  518    HA2  GLY  79           HA1      GLY  79  16.085  -7.115   5.935
  519    HA3  GLY  79           HA2      GLY  79  17.215  -7.975   4.900
  520    H    SER  80           H        SER  80  14.446  -9.744   4.907
  521    HA   SER  80           HA       SER  80  13.573  -8.586   2.384
  522    HB2  SER  80           HB2      SER  80  12.101 -10.691   2.380
  523    HB3  SER  80           HB3      SER  80  13.844 -10.931   2.245
  524    HG   SER  80           HG       SER  80  13.567 -12.210   3.885
  525    H    VAL  81           H        VAL  81  11.418  -7.900   2.026
  526    HA   VAL  81           HA       VAL  81  10.051  -7.163   4.529
  527    HB   VAL  81           HB       VAL  81   9.930  -5.836   1.819
  528   HG11  VAL  81          2HG1      VAL  81   7.827  -5.588   3.000
  529   HG12  VAL  81          1HG1      VAL  81   8.697  -4.053   2.974
  530   HG13  VAL  81          3HG1      VAL  81   8.678  -5.032   4.441
  531   HG21  VAL  81          3HG2      VAL  81  11.144  -4.008   2.958
  532   HG22  VAL  81          2HG2      VAL  81  12.067  -5.508   2.888
  533   HG23  VAL  81          1HG2      VAL  81  11.279  -5.031   4.390
  534    H    THR  82           H        THR  82   8.025  -7.820   4.920
  535    HA   THR  82           HA       THR  82   6.709  -9.466   2.887
  536    HB   THR  82           HB       THR  82   6.105  -9.166   5.840
  537    HG1  THR  82           HG1      THR  82   7.760 -10.483   5.961
  538   HG21  THR  82          3HG2      THR  82   4.666 -11.127   5.540
  539   HG22  THR  82          1HG2      THR  82   4.996 -11.111   3.807
  540   HG23  THR  82          2HG2      THR  82   4.111  -9.778   4.551
  541    H    ILE  83           H        ILE  83   5.303  -8.451   1.635
  542    HA   ILE  83           HA       ILE  83   3.677  -6.291   2.809
  543    HB   ILE  83           HB       ILE  83   3.413  -5.395   0.520
  544   HG12  ILE  83          2HG1      ILE  83   5.558  -7.389  -0.240
  545   HG13  ILE  83          3HG1      ILE  83   3.858  -7.543  -0.668
  546   HG21  ILE  83          2HG2      ILE  83   5.102  -4.465   2.003
  547   HG22  ILE  83          1HG2      ILE  83   5.652  -4.431   0.328
  548   HG23  ILE  83          3HG2      ILE  83   6.273  -5.655   1.435
  549   HD11  ILE  83          3HD1      ILE  83   4.005  -5.467  -1.955
  550   HD12  ILE  83          2HD1      ILE  83   5.144  -6.685  -2.526
  551   HD13  ILE  83          1HD1      ILE  83   5.715  -5.340  -1.540
  552    H    SER  84           H        SER  84   1.493  -6.253   2.407
  553    HA   SER  84           HA       SER  84   0.381  -8.587   1.008
  554    HB2  SER  84           HB2      SER  84  -0.625  -7.370   3.591
  555    HB3  SER  84           HB3      SER  84  -1.411  -8.676   2.706
  556    HG   SER  84           HG       SER  84   0.256  -9.056   4.569
  557    H    GLU  85           H        GLU  85  -1.324  -8.228  -0.264
  558    HA   GLU  85           HA       GLU  85  -2.650  -5.633  -0.291
  559    HB2  GLU  85           HB2      GLU  85  -2.348  -5.511  -2.785
  560    HB3  GLU  85           HB3      GLU  85  -0.866  -5.276  -1.866
  561    HG2  GLU  85           HG2      GLU  85  -0.384  -7.717  -2.245
  562    HG3  GLU  85           HG3      GLU  85  -1.731  -7.717  -3.381
  563    H    MET  86           H        MET  86  -4.484  -5.774  -2.077
  564    HA   MET  86           HA       MET  86  -5.593  -8.502  -1.996
  565    HB2  MET  86           HB2      MET  86  -6.664  -6.900  -0.338
  566    HB3  MET  86           HB3      MET  86  -7.266  -6.008  -1.726
  567    HG2  MET  86           HG2      MET  86  -9.031  -7.394  -1.159
  568    HG3  MET  86           HG3      MET  86  -8.260  -8.226  -2.498
  569    HE1  MET  86           HE1      MET  86  -9.268  -8.297   1.206
  570    HE2  MET  86           HE2      MET  86  -8.224  -9.533   1.908
  571    HE3  MET  86           HE3      MET  86  -7.545  -7.982   1.415
  572    H    ASN  87           H        ASN  87  -6.113  -9.254  -3.905
  573    HA   ASN  87           HA       ASN  87  -6.771  -9.455  -6.062
  574    HB2  ASN  87           HB2      ASN  87  -8.762  -8.276  -5.597
  575    HB3  ASN  87           HB3      ASN  87  -7.922  -6.734  -5.491
  576   HD21  ASN  87          1HD2      ASN  87  -7.547  -5.572  -7.325
  577   HD22  ASN  87          2HD2      ASN  87  -8.157  -6.017  -8.879
  578    H    TYR  88           H        TYR  88  -5.442  -6.202  -5.550
  579    HA   TYR  88           HA       TYR  88  -3.941  -4.955  -6.679
  580    HB2  TYR  88           HB2      TYR  88  -2.418  -6.859  -6.409
  581    HB3  TYR  88           HB3      TYR  88  -3.061  -7.595  -7.872
  582    HD1  TYR  88           HD2      TYR  88  -2.294  -3.991  -7.447
  583    HD2  TYR  88           HD1      TYR  88  -1.074  -7.700  -9.146
  584    HE1  TYR  88           HE2      TYR  88  -0.604  -2.813  -8.788
  585    HE2  TYR  88           HE1      TYR  88   0.621  -6.531 -10.489
  586    HH   TYR  88           HH       TYR  88   1.170  -4.400 -11.312
  587    H    SER  89           H        SER  89  -4.332  -7.332  -9.268
  588    HA   SER  89           HA       SER  89  -6.257  -5.670 -10.642
  589    HB2  SER  89           HB2      SER  89  -4.797  -5.480 -12.686
  590    HB3  SER  89           HB3      SER  89  -4.255  -4.520 -11.312
  591    HG   SER  89           HG       SER  89  -3.111  -6.907 -11.111
  592    H    GLY  90           H        GLY  90  -5.785  -8.470  -9.589
  593    HA2  GLY  90           HA1      GLY  90  -6.302  -9.918 -12.112
  594    HA3  GLY  90           HA2      GLY  90  -5.320 -10.594 -10.823
  595    H    GLY  91           H        GLY  91  -6.309 -11.414  -8.978
  596    HA2  GLY  91           HA1      GLY  91  -9.136 -12.082  -9.424
  597    HA3  GLY  91           HA2      GLY  91  -8.002 -13.022  -8.465
  598    HA   PRO  92           HA       PRO  92 -10.294  -9.320  -6.122
  599    HB2  PRO  92           HB2      PRO  92 -12.726 -11.025  -6.134
  600    HB3  PRO  92           HB3      PRO  92 -12.576  -9.268  -6.271
  601    HG2  PRO  92           HG2      PRO  92 -13.168 -10.741  -8.406
  602    HG3  PRO  92           HG3      PRO  92 -12.064  -9.357  -8.534
  603    HD2  PRO  92           HD2      PRO  92 -11.432 -12.280  -8.438
  604    HD3  PRO  92           HD3      PRO  92 -10.701 -10.999  -9.428
  605    H    PHE  93           H        PHE  93  -9.858  -9.432  -4.054
  606    HA   PHE  93           HA       PHE  93  -9.486 -10.130  -1.956
  607    HB2  PHE  93           HB2      PHE  93 -11.484 -12.252  -2.701
  608    HB3  PHE  93           HB3      PHE  93 -10.729 -12.155  -1.110
  609    HD1  PHE  93           HD1      PHE  93 -11.012 -10.004   0.207
  610    HD2  PHE  93           HD2      PHE  93 -13.367 -10.971  -3.201
  611    HE1  PHE  93           HE1      PHE  93 -12.720  -8.390   0.936
  612    HE2  PHE  93           HE2      PHE  93 -15.080  -9.355  -2.481
  613    HZ   PHE  93           HZ       PHE  93 -14.756  -8.065  -0.409
  614    H    SER  94           H        SER  94  -8.000 -11.336  -4.399
  615    HA   SER  94           HA       SER  94  -6.731 -13.580  -3.128
  616    HB2  SER  94           HB2      SER  94  -5.723 -11.766  -5.345
  617    HB3  SER  94           HB3      SER  94  -4.928 -13.254  -4.810
  618    HG   SER  94           HG       SER  94  -7.508 -12.988  -5.995
  619    H    VAL  95           H        VAL  95  -6.208 -12.937  -1.050
  620    HA   VAL  95           HA       VAL  95  -4.827 -10.581  -0.416
  621    HB   VAL  95           HB       VAL  95  -4.687 -13.224   1.046
  622   HG11  VAL  95          2HG1      VAL  95  -2.910 -11.694   1.707
  623   HG12  VAL  95          1HG1      VAL  95  -4.100 -11.868   2.998
  624   HG13  VAL  95          3HG1      VAL  95  -4.098 -10.421   1.989
  625   HG21  VAL  95          3HG2      VAL  95  -6.439 -12.206   2.500
  626   HG22  VAL  95          2HG2      VAL  95  -6.981 -12.555   0.857
  627   HG23  VAL  95          1HG2      VAL  95  -6.586 -10.900   1.322
  628    H    SER  96           H        SER  96  -3.124 -10.137  -1.685
  629    HA   SER  96           HA       SER  96  -1.369 -12.268  -2.544
  630    HB2  SER  96           HB2      SER  96  -1.288  -9.330  -3.255
  631    HB3  SER  96           HB3      SER  96  -0.473 -10.647  -4.100
  632    HG   SER  96           HG       SER  96  -3.279 -10.633  -3.763
  633    H    SER  97           H        SER  97   0.033 -12.862  -1.092
  634    HA   SER  97           HA       SER  97   1.492 -10.873   0.482
  635    HB2  SER  97           HB2      SER  97   0.606 -12.957   1.570
  636    HB3  SER  97           HB3      SER  97   1.704 -13.898   0.564
  637    HG   SER  97           HG       SER  97   3.111 -13.563   2.075
  638    H    ARG  98           H        ARG  98   3.530 -10.245  -0.017
  639    HA   ARG  98           HA       ARG  98   5.081 -11.842  -1.920
  640    HB2  ARG  98           HB2      ARG  98   3.562 -10.014  -3.022
  641    HB3  ARG  98           HB3      ARG  98   4.781  -8.900  -2.420
  642    HG2  ARG  98           HG2      ARG  98   6.496 -10.101  -3.680
  643    HG3  ARG  98           HG3      ARG  98   5.264 -11.207  -4.290
  644    HD2  ARG  98           HD2      ARG  98   5.284  -8.223  -4.735
  645    HD3  ARG  98           HD3      ARG  98   5.840  -9.419  -5.902
  646    HE   ARG  98           HE       ARG  98   3.608 -10.103  -6.240
  647   HH11  ARG  98          2HH1      ARG  98   3.851  -7.524  -3.899
  648   HH12  ARG  98          1HH1      ARG  98   2.195  -7.017  -4.071
  649   HH21  ARG  98          2HH2      ARG  98   1.434  -9.412  -6.536
  650   HH22  ARG  98          1HH2      ARG  98   0.826  -8.071  -5.592
  651    H    THR  99           H        THR  99   7.347 -10.948  -2.152
  652    HA   THR  99           HA       THR  99   8.187  -9.838   0.441
  653    HB   THR  99           HB       THR  99   9.717 -11.798  -1.279
  654    HG1  THR  99           HG1      THR  99   8.341 -12.293   1.174
  655   HG21  THR  99          3HG2      THR  99  11.139 -10.398   0.131
  656   HG22  THR  99          1HG2      THR  99  11.119 -12.061   0.716
  657   HG23  THR  99          2HG2      THR  99  10.173 -10.825   1.544
  658    H    ILE 100           H        ILE 100   9.215  -7.967   0.339
  659    HA   ILE 100           HA       ILE 100  10.349  -7.057  -2.203
  660    HB   ILE 100           HB       ILE 100   9.944  -5.544   0.386
  661   HG12  ILE 100          2HG1      ILE 100   7.821  -6.089  -0.711
  662   HG13  ILE 100          3HG1      ILE 100   8.161  -4.361  -0.799
  663   HG21  ILE 100          2HG2      ILE 100  11.822  -4.660  -0.876
  664   HG22  ILE 100          1HG2      ILE 100  10.459  -3.540  -0.926
  665   HG23  ILE 100          3HG2      ILE 100  10.820  -4.554  -2.322
  666   HD11  ILE 100          3HD1      ILE 100   8.584  -6.353  -3.018
  667   HD12  ILE 100          2HD1      ILE 100   8.897  -4.621  -3.104
  668   HD13  ILE 100          1HD1      ILE 100   7.248  -5.211  -2.892
  669    H    SER 101           H        SER 101  12.402  -7.564  -2.546
  670    HA   SER 101           HA       SER 101  14.326  -8.147  -0.570
  671    HB2  SER 101           HB2      SER 101  14.588  -8.837  -2.916
  672    HB3  SER 101           HB3      SER 101  14.717  -7.149  -3.404
  673    HG   SER 101           HG       SER 101  16.775  -7.871  -3.236
  674    H    ALA 102           H        ALA 102  15.865  -6.895   0.439
  675    HA   ALA 102           HA       ALA 102  15.207  -4.323   1.202
  676    HB1  ALA 102           HB1      ALA 102  16.714  -5.770   2.459
  677    HB2  ALA 102           HB2      ALA 102  17.955  -5.565   1.220
  678    HB3  ALA 102           HB3      ALA 102  17.429  -4.181   2.182
  679    H    SER 103           H        SER 103  17.273  -5.329  -1.475
  680    HA   SER 103           HA       SER 103  18.432  -2.825  -2.016
  681    HB2  SER 103           HB2      SER 103  17.820  -5.064  -3.961
  682    HB3  SER 103           HB3      SER 103  18.995  -3.768  -4.197
  683    HG   SER 103           HG       SER 103  19.678  -5.970  -3.307
  684    H    GLU 104           H        GLU 104  15.511  -4.373  -3.317
  685    HA   GLU 104           HA       GLU 104  14.757  -2.115  -4.899
  686    HB2  GLU 104           HB2      GLU 104  13.482  -4.696  -4.105
  687    HB3  GLU 104           HB3      GLU 104  12.447  -3.410  -4.708
  688    HG2  GLU 104           HG2      GLU 104  13.138  -5.001  -6.448
  689    HG3  GLU 104           HG3      GLU 104  13.637  -3.345  -6.784
  690    H    ALA 105           H        ALA 105  14.122  -3.243  -1.669
  691    HA   ALA 105           HA       ALA 105  11.981  -1.591  -0.957
  692    HB1  ALA 105           HB1      ALA 105  12.714  -1.980   1.357
  693    HB2  ALA 105           HB2      ALA 105  12.702  -3.464   0.403
  694    HB3  ALA 105           HB3      ALA 105  14.227  -2.653   0.750
  695    H    GLY 106           H        GLY 106  15.437  -0.962  -1.093
  696    HA2  GLY 106           HA1      GLY 106  15.317   1.572   0.226
  697    HA3  GLY 106           HA2      GLY 106  16.655   0.963  -0.737
  698    H    ASN 107           H        ASN 107  14.300   0.585  -2.825
  699    HA   ASN 107           HA       ASN 107  14.671   3.241  -4.003
  700    HB2  ASN 107           HB2      ASN 107  15.266   1.479  -5.516
  701    HB3  ASN 107           HB3      ASN 107  13.768   0.611  -5.192
  702   HD21  ASN 107          1HD2      ASN 107  11.859   1.299  -6.162
  703   HD22  ASN 107          2HD2      ASN 107  11.827   2.440  -7.461
  704    H    TYR 108           H        TYR 108  12.122   0.908  -3.181
  705    HA   TYR 108           HA       TYR 108  10.028   2.419  -4.319
  706    HB2  TYR 108           HB2      TYR 108   9.968   0.275  -2.203
  707    HB3  TYR 108           HB3      TYR 108   8.562   0.882  -3.066
  708    HD1  TYR 108           HD2      TYR 108   9.580   1.016  -5.840
  709    HD2  TYR 108           HD1      TYR 108  10.158  -1.938  -2.839
  710    HE1  TYR 108           HE2      TYR 108   9.914  -0.686  -7.586
  711    HE2  TYR 108           HE1      TYR 108  10.488  -3.644  -4.566
  712    HH   TYR 108           HH       TYR 108  11.034  -2.902  -7.817
  713    H    ASN 109           H        ASN 109   8.725   3.929  -3.521
  714    HA   ASN 109           HA       ASN 109   9.506   5.298  -1.112
  715    HB2  ASN 109           HB2      ASN 109   7.240   5.825  -3.046
  716    HB3  ASN 109           HB3      ASN 109   7.695   6.884  -1.716
  717   HD21  ASN 109          1HD2      ASN 109   9.571   8.082  -1.852
  718   HD22  ASN 109          2HD2      ASN 109  10.409   8.320  -3.346
  719    H    TYR 110           H        TYR 110   7.919   5.922   0.534
  720    HA   TYR 110           HA       TYR 110   5.528   4.306   0.760
  721    HB2  TYR 110           HB2      TYR 110   6.015   3.331   2.856
  722    HB3  TYR 110           HB3      TYR 110   7.435   3.028   1.871
  723    HD1  TYR 110           HD1      TYR 110   8.699   5.815   2.202
  724    HD2  TYR 110           HD2      TYR 110   6.977   3.091   4.965
  725    HE1  TYR 110           HE1      TYR 110  10.086   6.758   3.992
  726    HE2  TYR 110           HE2      TYR 110   8.360   4.027   6.762
  727    HH   TYR 110           HH       TYR 110  10.500   5.280   6.987
  728    H    ILE 111           H        ILE 111   3.971   5.312   2.243
  729    HA   ILE 111           HA       ILE 111   4.730   8.112   2.656
  730    HB   ILE 111           HB       ILE 111   2.438   8.766   2.329
  731   HG12  ILE 111          2HG1      ILE 111   1.825   5.844   1.839
  732   HG13  ILE 111          3HG1      ILE 111   1.381   6.730   3.288
  733   HG21  ILE 111          2HG2      ILE 111   2.182   8.171  -0.034
  734   HG22  ILE 111          1HG2      ILE 111   3.353   6.868   0.167
  735   HG23  ILE 111          3HG2      ILE 111   3.862   8.545   0.356
  736   HD11  ILE 111          3HD1      ILE 111  -0.502   6.534   1.779
  737   HD12  ILE 111          2HD1      ILE 111   0.426   7.318   0.496
  738   HD13  ILE 111          1HD1      ILE 111  -0.015   8.221   1.951
  739    H    HIS 112           H        HIS 112   4.842   8.835   4.611
  740    HA   HIS 112           HA       HIS 112   3.618   7.366   6.825
  741    HB2  HIS 112           HB2      HIS 112   5.885   9.254   6.533
  742    HB3  HIS 112           HB3      HIS 112   4.952   9.406   8.015
  743    HD1  HIS 112           HD1      HIS 112   5.274   7.667   9.790
  744    HD2  HIS 112           HD2      HIS 112   7.246   6.749   6.223
  745    HE1  HIS 112           HE1      HIS 112   6.778   5.730  10.331
  746    HE2  HIS 112           HE2      HIS 112   8.077   5.298   8.221
  747    H    ILE 113           H        ILE 113   2.785   8.907   8.613
  748    HA   ILE 113           HA       ILE 113   0.829  10.681   7.429
  749    HB   ILE 113           HB       ILE 113   1.303  10.354  10.388
  750   HG12  ILE 113          2HG1      ILE 113  -0.375   8.543   8.635
  751   HG13  ILE 113          3HG1      ILE 113   1.159   8.099   9.372
  752   HG21  ILE 113          2HG2      ILE 113  -1.129  10.780  10.488
  753   HG22  ILE 113          1HG2      ILE 113  -1.145  10.965   8.734
  754   HG23  ILE 113          3HG2      ILE 113  -0.239  12.103   9.733
  755   HD11  ILE 113          3HD1      ILE 113  -0.725   7.204  10.617
  756   HD12  ILE 113          2HD1      ILE 113  -1.355   8.834  10.854
  757   HD13  ILE 113          1HD1      ILE 113   0.180   8.367  11.586
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1 -30.875  -2.498   2.218
    2    H2   GLY   1           H2       GLY   1 -30.585  -4.024   2.897
    3    H3   GLY   1           H3       GLY   1 -30.612  -3.835   1.212
    4    HA2  GLY   1           HA2      GLY   1 -28.348  -4.039   1.990
    5    HA3  GLY   1           HA1      GLY   1 -28.647  -2.456   1.285
    6    H    SER   2           H        SER   2 -26.877  -1.624   2.449
    7    HA   SER   2           HA       SER   2 -27.508  -0.563   5.012
    8    HB2  SER   2           HB2      SER   2 -26.876  -2.886   5.667
    9    HB3  SER   2           HB3      SER   2 -25.289  -2.627   4.943
   10    HG   SER   2           HG       SER   2 -25.980  -2.093   7.386
   11    H    SER   3           H        SER   3 -25.221  -1.200   2.451
   12    HA   SER   3           HA       SER   3 -23.283   0.723   3.304
   13    HB2  SER   3           HB2      SER   3 -23.631  -0.661   0.636
   14    HB3  SER   3           HB3      SER   3 -22.211   0.255   1.138
   15    HG   SER   3           HG       SER   3 -23.223  -2.112   2.358
   16    H    ILE   4           H        ILE   4 -25.479   2.153   3.412
   17    HA   ILE   4           HA       ILE   4 -25.668   3.749   0.960
   18    HB   ILE   4           HB       ILE   4 -27.758   3.042   2.170
   19   HG12  ILE   4          2HG1      ILE   4 -28.858   5.262   2.066
   20   HG13  ILE   4          3HG1      ILE   4 -27.272   6.023   1.970
   21   HG21  ILE   4          2HG2      ILE   4 -28.380   4.264   4.217
   22   HG22  ILE   4          1HG2      ILE   4 -26.749   4.935   4.286
   23   HG23  ILE   4          3HG2      ILE   4 -26.995   3.195   4.450
   24   HD11  ILE   4          3HD1      ILE   4 -26.855   4.867  -0.141
   25   HD12  ILE   4          2HD1      ILE   4 -28.299   5.876  -0.217
   26   HD13  ILE   4          1HD1      ILE   4 -28.454   4.127  -0.048
   27    H    SER   5           H        SER   5 -23.676   3.514   3.427
   28    HA   SER   5           HA       SER   5 -23.325   6.391   3.900
   29    HB2  SER   5           HB2      SER   5 -22.066   4.111   5.438
   30    HB3  SER   5           HB3      SER   5 -22.231   5.796   5.937
   31    HG   SER   5           HG       SER   5 -24.350   5.501   6.329
   32    H    HIS   6           H        HIS   6 -20.602   6.193   4.749
   33    HA   HIS   6           HA       HIS   6 -19.280   6.200   2.210
   34    HB2  HIS   6           HB2      HIS   6 -18.247   6.488   5.033
   35    HB3  HIS   6           HB3      HIS   6 -17.197   6.550   3.620
   36    HD1  HIS   6           HD1      HIS   6 -18.430   8.845   5.831
   37    HD2  HIS   6           HD2      HIS   6 -18.765   8.557   1.691
   38    HE1  HIS   6           HE1      HIS   6 -18.950  11.167   5.027
   39    HE2  HIS   6           HE2      HIS   6 -19.283  10.946   2.540
   40    H    SER   7           H        SER   7 -19.689   3.898   4.752
   41    HA   SER   7           HA       SER   7 -19.198   1.713   4.970
   42    HB2  SER   7           HB2      SER   7 -19.214   0.370   2.830
   43    HB3  SER   7           HB3      SER   7 -20.613   1.409   3.085
   44    HG   SER   7           HG       SER   7 -18.570   2.631   1.716
   45    H    GLY   8           H        GLY   8 -16.970   3.128   5.469
   46    HA2  GLY   8           HA1      GLY   8 -14.882   2.269   6.091
   47    HA3  GLY   8           HA2      GLY   8 -15.031   1.047   4.839
   48    H    ASN   9           H        ASN   9 -15.009   2.049   2.529
   49    HA   ASN   9           HA       ASN   9 -13.059   4.222   2.374
   50    HB2  ASN   9           HB2      ASN   9 -11.736   2.134   2.564
   51    HB3  ASN   9           HB3      ASN   9 -12.566   1.496   1.149
   52   HD21  ASN   9          1HD2      ASN   9 -10.510   1.256   0.174
   53   HD22  ASN   9          2HD2      ASN   9  -9.694   2.614  -0.518
   54    H    LEU  10           H        LEU  10 -12.928   5.203   0.337
   55    HA   LEU  10           HA       LEU  10 -15.431   5.244  -1.042
   56    HB2  LEU  10           HB2      LEU  10 -12.833   6.585  -1.758
   57    HB3  LEU  10           HB3      LEU  10 -14.422   7.016  -2.362
   58    HG   LEU  10           HG       LEU  10 -13.496   7.299   0.500
   59   HD11  LEU  10          2HD1      LEU  10 -14.033   9.376  -1.618
   60   HD12  LEU  10          1HD1      LEU  10 -12.447   8.910  -1.007
   61   HD13  LEU  10          3HD1      LEU  10 -13.608   9.698   0.064
   62   HD21  LEU  10          3HD2      LEU  10 -15.612   8.487   0.832
   63   HD22  LEU  10          2HD2      LEU  10 -15.875   6.806   0.366
   64   HD23  LEU  10          1HD2      LEU  10 -16.087   8.094  -0.821
   65    H    TYR  11           H        TYR  11 -12.280   3.886  -1.668
   66    HA   TYR  11           HA       TYR  11 -12.582   3.675  -4.491
   67    HB2  TYR  11           HB2      TYR  11 -10.416   3.803  -3.094
   68    HB3  TYR  11           HB3      TYR  11 -10.633   2.074  -2.844
   69    HD1  TYR  11           HD2      TYR  11 -10.320   4.641  -5.510
   70    HD2  TYR  11           HD1      TYR  11  -9.854   0.554  -4.443
   71    HE1  TYR  11           HE2      TYR  11  -9.237   4.210  -7.677
   72    HE2  TYR  11           HE1      TYR  11  -8.766   0.107  -6.606
   73    HH   TYR  11           HH       TYR  11  -7.646   2.572  -8.641
   74    H    THR  12           H        THR  12 -12.271   1.505  -5.584
   75    HA   THR  12           HA       THR  12 -14.518  -0.100  -5.207
   76    HB   THR  12           HB       THR  12 -11.947  -0.757  -6.654
   77    HG1  THR  12           HG1      THR  12 -13.581   1.157  -7.169
   78   HG21  THR  12          3HG2      THR  12 -13.296  -2.758  -6.262
   79   HG22  THR  12          1HG2      THR  12 -13.298  -2.316  -7.970
   80   HG23  THR  12          2HG2      THR  12 -14.700  -1.953  -6.964
   81    H    ALA  13           H        ALA  13 -14.797  -2.165  -4.362
   82    HA   ALA  13           HA       ALA  13 -13.373  -2.553  -1.930
   83    HB1  ALA  13           HB1      ALA  13 -15.528  -4.265  -3.152
   84    HB2  ALA  13           HB2      ALA  13 -14.981  -4.300  -1.474
   85    HB3  ALA  13           HB3      ALA  13 -15.799  -2.871  -2.105
   86    H    GLY  14           H        GLY  14 -12.082  -4.229  -1.293
   87    HA2  GLY  14           HA1      GLY  14 -10.681  -6.043  -1.438
   88    HA3  GLY  14           HA2      GLY  14 -11.622  -6.574  -2.825
   89    H    GLN  15           H        GLN  15 -10.139  -3.439  -2.772
   90    HA   GLN  15           HA       GLN  15  -8.528  -4.257  -5.066
   91    HB2  GLN  15           HB2      GLN  15  -9.707  -1.709  -4.120
   92    HB3  GLN  15           HB3      GLN  15  -8.210  -1.612  -5.041
   93    HG2  GLN  15           HG2      GLN  15 -10.580  -3.164  -6.007
   94    HG3  GLN  15           HG3      GLN  15 -10.379  -1.441  -6.324
   95   HE21  GLN  15          1HE2      GLN  15 -10.286  -1.844  -8.517
   96   HE22  GLN  15          2HE2      GLN  15  -8.849  -2.466  -9.259
   97    H    CYS  16           H        CYS  16  -6.457  -3.002  -5.356
   98    HA   CYS  16           HA       CYS  16  -4.636  -3.792  -3.364
   99    HB2  CYS  16           HB2      CYS  16  -4.232  -3.399  -5.873
  100    HB3  CYS  16           HB3      CYS  16  -4.075  -1.696  -5.460
  101    HG   CYS  16           HG       CYS  16  -1.994  -2.548  -3.468
  102    H    THR  17           H        THR  17  -5.758  -0.550  -4.342
  103    HA   THR  17           HA       THR  17  -4.405   0.755  -2.175
  104    HB   THR  17           HB       THR  17  -5.785   2.746  -2.859
  105    HG1  THR  17           HG1      THR  17  -7.192   2.536  -4.551
  106   HG21  THR  17          3HG2      THR  17  -3.611   2.403  -3.868
  107   HG22  THR  17          1HG2      THR  17  -4.740   3.007  -5.079
  108   HG23  THR  17          2HG2      THR  17  -4.304   1.296  -5.054
  109    H    TRP  18           H        TRP  18  -7.491  -0.728  -2.646
  110    HA   TRP  18           HA       TRP  18  -8.888   0.527  -0.513
  111    HB2  TRP  18           HB2      TRP  18  -9.949  -0.645  -2.452
  112    HB3  TRP  18           HB3      TRP  18  -9.413  -2.172  -1.765
  113    HD1  TRP  18           HD1      TRP  18 -12.044   0.542  -1.362
  114    HE1  TRP  18           HE1      TRP  18 -13.836  -0.288   0.282
  115    HE3  TRP  18           HE3      TRP  18  -9.733  -3.700   0.326
  116    HZ2  TRP  18           HZ2      TRP  18 -14.233  -2.435   2.060
  117    HZ3  TRP  18           HZ3      TRP  18 -10.893  -5.079   1.998
  118    HH2  TRP  18           HH2      TRP  18 -13.092  -4.461   2.849
  119    H    TYR  19           H        TYR  19  -7.253  -2.641  -0.831
  120    HA   TYR  19           HA       TYR  19  -7.768  -3.538   1.783
  121    HB2  TYR  19           HB2      TYR  19  -6.957  -5.015   0.014
  122    HB3  TYR  19           HB3      TYR  19  -5.426  -4.150  -0.034
  123    HD1  TYR  19           HD1      TYR  19  -7.562  -6.285   2.121
  124    HD2  TYR  19           HD2      TYR  19  -3.663  -4.758   1.390
  125    HE1  TYR  19           HE1      TYR  19  -6.645  -7.856   3.778
  126    HE2  TYR  19           HE2      TYR  19  -2.735  -6.318   3.046
  127    HH   TYR  19           HH       TYR  19  -3.581  -7.577   5.080
  128    H    VAL  20           H        VAL  20  -5.056  -1.732   0.443
  129    HA   VAL  20           HA       VAL  20  -3.452  -1.473   2.680
  130    HB   VAL  20           HB       VAL  20  -3.984   0.446   0.412
  131   HG11  VAL  20          2HG1      VAL  20  -1.891   0.673   2.571
  132   HG12  VAL  20          1HG1      VAL  20  -3.254   1.762   2.316
  133   HG13  VAL  20          3HG1      VAL  20  -1.968   1.662   1.112
  134   HG21  VAL  20          3HG2      VAL  20  -2.907  -1.626  -0.219
  135   HG22  VAL  20          2HG2      VAL  20  -1.697  -1.415   1.048
  136   HG23  VAL  20          1HG2      VAL  20  -1.747  -0.301  -0.317
  137    H    TYR  21           H        TYR  21  -6.204   0.530   1.686
  138    HA   TYR  21           HA       TYR  21  -5.993   2.413   3.767
  139    HB2  TYR  21           HB2      TYR  21  -7.321   2.653   1.610
  140    HB3  TYR  21           HB3      TYR  21  -8.545   1.634   2.360
  141    HD1  TYR  21           HD2      TYR  21  -6.645   4.789   2.939
  142    HD2  TYR  21           HD1      TYR  21 -10.205   2.570   3.657
  143    HE1  TYR  21           HE2      TYR  21  -7.631   6.742   4.047
  144    HE2  TYR  21           HE1      TYR  21 -11.206   4.516   4.765
  145    HH   TYR  21           HH       TYR  21  -9.938   7.616   4.521
  146    H    ASP  22           H        ASP  22  -7.851  -0.573   3.455
  147    HA   ASP  22           HA       ASP  22  -9.277  -0.342   5.879
  148    HB2  ASP  22           HB2      ASP  22 -10.034  -1.879   4.192
  149    HB3  ASP  22           HB3      ASP  22  -8.508  -2.755   4.228
  150    H    LYS  23           H        LYS  23  -6.175  -1.829   5.085
  151    HA   LYS  23           HA       LYS  23  -5.755  -3.072   7.583
  152    HB2  LYS  23           HB2      LYS  23  -3.936  -2.303   5.323
  153    HB3  LYS  23           HB3      LYS  23  -3.308  -3.045   6.789
  154    HG2  LYS  23           HG2      LYS  23  -5.529  -4.295   5.213
  155    HG3  LYS  23           HG3      LYS  23  -3.831  -4.576   4.825
  156    HD2  LYS  23           HD2      LYS  23  -5.059  -5.075   7.535
  157    HD3  LYS  23           HD3      LYS  23  -4.829  -6.318   6.301
  158    HE2  LYS  23           HE2      LYS  23  -2.421  -5.868   6.312
  159    HE3  LYS  23           HE3      LYS  23  -2.658  -4.642   7.553
  160    HZ1  LYS  23           HZ1      LYS  23  -1.885  -6.812   8.400
  161    HZ2  LYS  23           HZ2      LYS  23  -3.352  -7.506   7.899
  162    HZ3  LYS  23           HZ3      LYS  23  -3.347  -6.299   9.090
  163    H    VAL  24           H        VAL  24  -4.934   0.156   6.403
  164    HA   VAL  24           HA       VAL  24  -3.372   0.740   8.763
  165    HB   VAL  24           HB       VAL  24  -3.175   3.020   7.898
  166   HG11  VAL  24          2HG1      VAL  24  -1.599   1.365   7.118
  167   HG12  VAL  24          1HG1      VAL  24  -1.975   2.493   5.815
  168   HG13  VAL  24          3HG1      VAL  24  -2.700   0.885   5.826
  169   HG21  VAL  24          3HG2      VAL  24  -5.370   3.310   6.923
  170   HG22  VAL  24          2HG2      VAL  24  -5.024   2.081   5.706
  171   HG23  VAL  24          1HG2      VAL  24  -4.132   3.603   5.703
  172    H    GLY  25           H        GLY  25  -6.530   0.305   8.433
  173    HA2  GLY  25           HA1      GLY  25  -8.262   0.773   9.882
  174    HA3  GLY  25           HA2      GLY  25  -7.149   1.758  10.823
  175    H    GLY  26           H        GLY  26  -7.314   2.496   7.498
  176    HA2  GLY  26           HA1      GLY  26  -8.218   4.246   6.329
  177    HA3  GLY  26           HA2      GLY  26  -9.514   4.272   7.513
  178    H    GLU  27           H        GLU  27  -6.128   4.710   8.348
  179    HA   GLU  27           HA       GLU  27  -6.753   7.260   9.525
  180    HB2  GLU  27           HB2      GLU  27  -5.188   5.687  10.623
  181    HB3  GLU  27           HB3      GLU  27  -4.075   5.874   9.279
  182    HG2  GLU  27           HG2      GLU  27  -3.715   8.173   9.816
  183    HG3  GLU  27           HG3      GLU  27  -4.981   8.133  11.042
  184    H    ILE  28           H        ILE  28  -4.740   6.118   6.839
  185    HA   ILE  28           HA       ILE  28  -4.412   8.928   6.026
  186    HB   ILE  28           HB       ILE  28  -2.224   8.670   5.615
  187   HG12  ILE  28          2HG1      ILE  28  -2.827   7.081   3.681
  188   HG13  ILE  28          3HG1      ILE  28  -1.191   6.985   4.330
  189   HG21  ILE  28          2HG2      ILE  28  -1.068   7.017   6.984
  190   HG22  ILE  28          1HG2      ILE  28  -2.581   6.136   7.199
  191   HG23  ILE  28          3HG2      ILE  28  -2.408   7.762   7.858
  192   HD11  ILE  28          3HD1      ILE  28  -1.958   4.777   3.932
  193   HD12  ILE  28          2HD1      ILE  28  -3.474   5.080   4.787
  194   HD13  ILE  28          1HD1      ILE  28  -1.952   5.019   5.680
  195    H    GLY  29           H        GLY  29  -4.784   9.484   3.904
  196    HA2  GLY  29           HA1      GLY  29  -4.470   8.803   1.594
  197    HA3  GLY  29           HA2      GLY  29  -5.150   7.246   2.025
  198    H    SER  30           H        SER  30  -7.077   6.907   1.322
  199    HA   SER  30           HA       SER  30  -9.142   7.159   0.439
  200    HB2  SER  30           HB2      SER  30  -9.298   9.931   1.612
  201    HB3  SER  30           HB3      SER  30 -10.615   8.822   1.261
  202    HG   SER  30           HG       SER  30  -9.044   9.030   3.485
  203    H    THR  31           H        THR  31  -7.745  10.433   0.338
  204    HA   THR  31           HA       THR  31  -8.611  10.693  -2.431
  205    HB   THR  31           HB       THR  31  -9.167  12.498  -0.841
  206    HG1  THR  31           HG1      THR  31  -7.387  13.103  -2.974
  207   HG21  THR  31          3HG2      THR  31  -6.174  12.894  -0.669
  208   HG22  THR  31          1HG2      THR  31  -7.231  12.342   0.632
  209   HG23  THR  31          2HG2      THR  31  -7.391  13.980   0.001
  210    H    TRP  32           H        TRP  32  -6.137   9.126  -1.398
  211    HA   TRP  32           HA       TRP  32  -3.923  10.552  -2.516
  212    HB2  TRP  32           HB2      TRP  32  -2.644   8.477  -2.228
  213    HB3  TRP  32           HB3      TRP  32  -3.516   8.918  -0.765
  214    HD1  TRP  32           HD1      TRP  32  -5.181   7.087  -3.679
  215    HE1  TRP  32           HE1      TRP  32  -5.891   4.776  -2.886
  216    HE3  TRP  32           HE3      TRP  32  -2.991   7.137   0.916
  217    HZ2  TRP  32           HZ2      TRP  32  -5.586   3.147  -0.572
  218    HZ3  TRP  32           HZ3      TRP  32  -3.245   5.156   2.367
  219    HH2  TRP  32           HH2      TRP  32  -4.513   3.209   1.632
  220    H    GLY  33           H        GLY  33  -6.513   9.039  -3.908
  221    HA2  GLY  33           HA1      GLY  33  -6.935   8.819  -6.196
  222    HA3  GLY  33           HA2      GLY  33  -5.223   9.096  -6.482
  223    H    ASN  34           H        ASN  34  -4.167   7.503  -7.271
  224    HA   ASN  34           HA       ASN  34  -4.893   4.778  -6.469
  225    HB2  ASN  34           HB2      ASN  34  -4.015   5.703  -9.215
  226    HB3  ASN  34           HB3      ASN  34  -4.114   4.019  -8.713
  227   HD21  ASN  34          1HD2      ASN  34  -5.901   6.863  -9.557
  228   HD22  ASN  34          2HD2      ASN  34  -7.449   6.103  -9.696
  229    H    ALA  35           H        ALA  35  -2.840   3.376  -7.445
  230    HA   ALA  35           HA       ALA  35  -0.987   3.861  -5.381
  231    HB1  ALA  35           HB1      ALA  35  -1.610   1.641  -6.170
  232    HB2  ALA  35           HB2      ALA  35  -0.785   1.958  -7.697
  233    HB3  ALA  35           HB3      ALA  35   0.137   1.884  -6.196
  234    H    ASN  36           H        ASN  36  -0.901   4.643  -8.806
  235    HA   ASN  36           HA       ASN  36   1.936   5.255  -8.726
  236    HB2  ASN  36           HB2      ASN  36   1.723   5.787 -11.082
  237    HB3  ASN  36           HB3      ASN  36   0.920   4.258 -10.751
  238   HD21  ASN  36          1HD2      ASN  36   0.546   6.100 -12.952
  239   HD22  ASN  36          2HD2      ASN  36  -1.122   6.543 -12.933
  240    H    ASN  37           H        ASN  37  -0.840   6.816  -7.835
  241    HA   ASN  37           HA       ASN  37   0.276   9.492  -8.360
  242    HB2  ASN  37           HB2      ASN  37  -2.010   9.002  -9.252
  243    HB3  ASN  37           HB3      ASN  37  -2.559   8.711  -7.608
  244   HD21  ASN  37          1HD2      ASN  37  -3.043  10.415  -6.302
  245   HD22  ASN  37          2HD2      ASN  37  -3.023  12.062  -6.836
  246    H    TRP  38           H        TRP  38   0.489   7.237  -6.181
  247    HA   TRP  38           HA       TRP  38  -0.659   8.079  -3.809
  248    HB2  TRP  38           HB2      TRP  38   1.205   6.057  -4.632
  249    HB3  TRP  38           HB3      TRP  38   1.718   6.778  -3.100
  250    HD1  TRP  38           HD1      TRP  38  -1.846   5.924  -4.356
  251    HE1  TRP  38           HE1      TRP  38  -2.970   4.504  -2.566
  252    HE3  TRP  38           HE3      TRP  38   2.074   5.512  -1.128
  253    HZ2  TRP  38           HZ2      TRP  38  -2.266   3.361  -0.019
  254    HZ3  TRP  38           HZ3      TRP  38   1.775   4.248   0.947
  255    HH2  TRP  38           HH2      TRP  38  -0.341   3.191   1.478
  256    H    ALA  39           H        ALA  39   2.835   8.349  -4.536
  257    HA   ALA  39           HA       ALA  39   3.487   9.737  -2.234
  258    HB1  ALA  39           HB1      ALA  39   5.167   8.709  -3.642
  259    HB2  ALA  39           HB2      ALA  39   4.848   9.880  -4.923
  260    HB3  ALA  39           HB3      ALA  39   5.547  10.414  -3.395
  261    H    ALA  40           H        ALA  40   2.319  10.998  -5.307
  262    HA   ALA  40           HA       ALA  40   2.799  13.735  -4.720
  263    HB1  ALA  40           HB1      ALA  40   0.836  12.539  -6.670
  264    HB2  ALA  40           HB2      ALA  40   1.413  14.205  -6.654
  265    HB3  ALA  40           HB3      ALA  40   2.530  12.887  -7.013
  266    H    ALA  41           H        ALA  41  -0.171  11.753  -4.648
  267    HA   ALA  41           HA       ALA  41  -1.803  13.835  -3.617
  268    HB1  ALA  41           HB1      ALA  41  -2.294  10.857  -3.477
  269    HB2  ALA  41           HB2      ALA  41  -3.493  12.140  -3.322
  270    HB3  ALA  41           HB3      ALA  41  -2.676  11.882  -4.861
  271    H    ALA  42           H        ALA  42   0.103  11.293  -2.160
  272    HA   ALA  42           HA       ALA  42  -0.797  11.447   0.489
  273    HB1  ALA  42           HB1      ALA  42   1.477  10.579   1.052
  274    HB2  ALA  42           HB2      ALA  42   0.645   9.661  -0.206
  275    HB3  ALA  42           HB3      ALA  42   1.925  10.797  -0.639
  276    H    GLN  43           H        GLN  43   1.897  13.168  -1.125
  277    HA   GLN  43           HA       GLN  43   2.473  14.808   1.122
  278    HB2  GLN  43           HB2      GLN  43   3.166  15.097  -1.799
  279    HB3  GLN  43           HB3      GLN  43   3.715  16.223  -0.564
  280    HG2  GLN  43           HG2      GLN  43   4.736  14.256   0.621
  281    HG3  GLN  43           HG3      GLN  43   4.371  13.301  -0.819
  282   HE21  GLN  43          1HE2      GLN  43   6.924  14.093   0.461
  283   HE22  GLN  43          2HE2      GLN  43   7.845  14.863  -0.791
  284    H    GLY  44           H        GLY  44   0.293  15.096  -1.604
  285    HA2  GLY  44           HA1      GLY  44  -0.495  17.768  -1.247
  286    HA3  GLY  44           HA2      GLY  44  -1.500  16.493  -1.923
  287    H    ALA  45           H        ALA  45  -1.407  14.834   0.439
  288    HA   ALA  45           HA       ALA  45  -3.397  16.170   2.055
  289    HB1  ALA  45           HB1      ALA  45  -2.177  13.427   2.369
  290    HB2  ALA  45           HB2      ALA  45  -3.601  14.039   3.211
  291    HB3  ALA  45           HB3      ALA  45  -3.644  13.799   1.464
  292    H    GLY  46           H        GLY  46  -0.064  15.088   2.351
  293    HA2  GLY  46           HA1      GLY  46   1.335  16.706   3.629
  294    HA3  GLY  46           HA2      GLY  46   0.112  16.600   4.884
  295    H    PHE  47           H        PHE  47   1.153  13.770   3.090
  296    HA   PHE  47           HA       PHE  47   2.067  12.583   5.577
  297    HB2  PHE  47           HB2      PHE  47   2.062  11.358   2.808
  298    HB3  PHE  47           HB3      PHE  47   2.292  10.504   4.327
  299    HD1  PHE  47           HD1      PHE  47  -0.077  12.422   5.519
  300    HD2  PHE  47           HD2      PHE  47   0.361   9.637   2.336
  301    HE1  PHE  47           HE1      PHE  47  -2.498  11.968   5.576
  302    HE2  PHE  47           HE2      PHE  47  -2.047   9.163   2.382
  303    HZ   PHE  47           HZ       PHE  47  -3.483  10.345   4.005
  304    H    THR  48           H        THR  48   4.128  11.610   5.836
  305    HA   THR  48           HA       THR  48   6.285  12.981   4.410
  306    HB   THR  48           HB       THR  48   6.673  11.014   6.659
  307    HG1  THR  48           HG1      THR  48   5.221  12.360   7.637
  308   HG21  THR  48          3HG2      THR  48   8.653  11.880   5.541
  309   HG22  THR  48          1HG2      THR  48   8.557  12.517   7.183
  310   HG23  THR  48          2HG2      THR  48   8.111  13.536   5.813
  311    H    VAL  49           H        VAL  49   7.388  11.930   2.781
  312    HA   VAL  49           HA       VAL  49   7.301   9.013   2.766
  313    HB   VAL  49           HB       VAL  49   5.462   9.249   1.438
  314   HG11  VAL  49          2HG1      VAL  49   6.725  11.680   0.200
  315   HG12  VAL  49          1HG1      VAL  49   5.416  11.646   1.384
  316   HG13  VAL  49          3HG1      VAL  49   5.153  11.008  -0.240
  317   HG21  VAL  49          3HG2      VAL  49   7.716   9.422  -0.565
  318   HG22  VAL  49          2HG2      VAL  49   6.081   8.849  -0.896
  319   HG23  VAL  49          1HG2      VAL  49   7.125   7.952   0.208
  320    H    ASN  50           H        ASN  50   9.207   8.219   2.484
  321    HA   ASN  50           HA       ASN  50  10.902   9.304   0.360
  322    HB2  ASN  50           HB2      ASN  50  12.883   8.523   1.588
  323    HB3  ASN  50           HB3      ASN  50  11.993   9.690   2.554
  324   HD21  ASN  50          1HD2      ASN  50  10.864   8.953   4.392
  325   HD22  ASN  50          2HD2      ASN  50  11.242   7.423   5.124
  326    H    HIS  51           H        HIS  51  12.560   6.719   0.893
  327    HA   HIS  51           HA       HIS  51  10.542   4.820   0.025
  328    HB2  HIS  51           HB2      HIS  51  12.017   4.014  -1.865
  329    HB3  HIS  51           HB3      HIS  51  11.245   5.571  -2.108
  330    HD1  HIS  51           HD1      HIS  51  12.769   7.634  -2.292
  331    HD2  HIS  51           HD2      HIS  51  14.812   4.061  -1.699
  332    HE1  HIS  51           HE1      HIS  51  15.181   8.129  -2.829
  333    HE2  HIS  51           HE2      HIS  51  16.360   5.911  -2.637
  334    H    THR  52           H        THR  52  10.997   4.141   2.195
  335    HA   THR  52           HA       THR  52  12.576   1.724   1.955
  336    HB   THR  52           HB       THR  52  12.986   3.559   4.335
  337    HG1  THR  52           HG1      THR  52  14.151   3.603   1.969
  338   HG21  THR  52          3HG2      THR  52  13.072   1.177   4.916
  339   HG22  THR  52          1HG2      THR  52  14.669   1.916   5.029
  340   HG23  THR  52          2HG2      THR  52  14.259   0.906   3.643
  341    HA   PRO  53           HA       PRO  53   8.487   0.638   3.583
  342    HB2  PRO  53           HB2      PRO  53   9.101  -2.057   3.834
  343    HB3  PRO  53           HB3      PRO  53   8.465  -1.290   2.376
  344    HG2  PRO  53           HG2      PRO  53  11.297  -1.952   3.086
  345    HG3  PRO  53           HG3      PRO  53  10.458  -2.142   1.535
  346    HD2  PRO  53           HD2      PRO  53  12.123  -0.104   1.919
  347    HD3  PRO  53           HD3      PRO  53  10.591   0.126   1.041
  348    H    SER  54           H        SER  54   7.647  -0.365   5.534
  349    HA   SER  54           HA       SER  54   9.349  -0.895   7.747
  350    HB2  SER  54           HB2      SER  54   8.027   1.826   7.574
  351    HB3  SER  54           HB3      SER  54   8.641   1.132   9.073
  352    HG   SER  54           HG       SER  54  10.389   1.175   6.901
  353    H    LYS  55           H        LYS  55   8.183  -1.614   9.539
  354    HA   LYS  55           HA       LYS  55   5.695  -2.797   9.037
  355    HB2  LYS  55           HB2      LYS  55   7.244  -3.625  10.739
  356    HB3  LYS  55           HB3      LYS  55   7.027  -2.155  11.677
  357    HG2  LYS  55           HG2      LYS  55   4.700  -2.717  12.063
  358    HG3  LYS  55           HG3      LYS  55   4.871  -4.165  11.069
  359    HD2  LYS  55           HD2      LYS  55   6.503  -5.067  12.622
  360    HD3  LYS  55           HD3      LYS  55   6.420  -3.599  13.594
  361    HE2  LYS  55           HE2      LYS  55   4.082  -4.052  14.102
  362    HE3  LYS  55           HE3      LYS  55   4.129  -5.494  13.089
  363    HZ1  LYS  55           HZ1      LYS  55   5.688  -6.504  14.572
  364    HZ2  LYS  55           HZ2      LYS  55   4.379  -5.948  15.493
  365    HZ3  LYS  55           HZ3      LYS  55   5.837  -5.082  15.484
  366    H    GLY  56           H        GLY  56   3.801  -1.811   8.769
  367    HA2  GLY  56           HA1      GLY  56   1.960  -0.657   9.806
  368    HA3  GLY  56           HA2      GLY  56   3.120   0.398  10.597
  369    H    ALA  57           H        ALA  57   4.331   0.120   7.610
  370    HA   ALA  57           HA       ALA  57   2.852   2.487   6.667
  371    HB1  ALA  57           HB1      ALA  57   5.659   1.632   5.971
  372    HB2  ALA  57           HB2      ALA  57   4.841   3.096   5.418
  373    HB3  ALA  57           HB3      ALA  57   5.223   2.891   7.129
  374    H    ILE  58           H        ILE  58   3.573   2.550   4.027
  375    HA   ILE  58           HA       ILE  58   2.605  -0.018   2.975
  376    HB   ILE  58           HB       ILE  58   1.650   2.652   1.948
  377   HG12  ILE  58          2HG1      ILE  58  -0.609   1.698   2.874
  378   HG13  ILE  58          3HG1      ILE  58   0.430   0.770   3.945
  379   HG21  ILE  58          2HG2      ILE  58   1.693   0.916   0.269
  380   HG22  ILE  58          1HG2      ILE  58   0.024   1.275   0.710
  381   HG23  ILE  58          3HG2      ILE  58   0.807  -0.178   1.333
  382   HD11  ILE  58          3HD1      ILE  58  -0.351   2.804   5.013
  383   HD12  ILE  58          2HD1      ILE  58   0.357   3.770   3.721
  384   HD13  ILE  58          1HD1      ILE  58   1.399   2.843   4.800
  385    H    LEU  59           H        LEU  59   3.483  -0.693   1.143
  386    HA   LEU  59           HA       LEU  59   5.876   0.614   0.162
  387    HB2  LEU  59           HB2      LEU  59   5.535  -1.858   0.642
  388    HB3  LEU  59           HB3      LEU  59   4.525  -1.912  -0.785
  389    HG   LEU  59           HG       LEU  59   6.676  -0.913  -1.925
  390   HD11  LEU  59          2HD1      LEU  59   7.939  -0.687   0.147
  391   HD12  LEU  59          1HD1      LEU  59   8.712  -1.828  -0.952
  392   HD13  LEU  59          3HD1      LEU  59   7.791  -2.421   0.429
  393   HD21  LEU  59          3HD2      LEU  59   5.557  -2.993  -2.511
  394   HD22  LEU  59          2HD2      LEU  59   6.350  -3.807  -1.161
  395   HD23  LEU  59          1HD2      LEU  59   7.310  -3.195  -2.509
  396    H    GLN  60           H        GLN  60   6.053   1.647  -1.846
  397    HA   GLN  60           HA       GLN  60   3.706   1.544  -3.614
  398    HB2  GLN  60           HB2      GLN  60   3.507   3.509  -2.108
  399    HB3  GLN  60           HB3      GLN  60   5.051   4.101  -2.699
  400    HG2  GLN  60           HG2      GLN  60   2.928   3.575  -4.699
  401    HG3  GLN  60           HG3      GLN  60   2.722   4.962  -3.636
  402   HE21  GLN  60          1HE2      GLN  60   3.118   4.904  -6.492
  403   HE22  GLN  60          2HE2      GLN  60   4.560   5.802  -6.813
  404    H    SER  61           H        SER  61   4.134   1.449  -5.701
  405    HA   SER  61           HA       SER  61   6.820   2.199  -6.650
  406    HB2  SER  61           HB2      SER  61   6.427  -0.243  -6.803
  407    HB3  SER  61           HB3      SER  61   4.988   0.055  -7.774
  408    HG   SER  61           HG       SER  61   6.244   0.136  -9.439
  409    H    SER  62           H        SER  62   6.927   3.344  -8.574
  410    HA   SER  62           HA       SER  62   4.606   4.983  -9.089
  411    HB2  SER  62           HB2      SER  62   6.990   5.839  -8.911
  412    HB3  SER  62           HB3      SER  62   7.301   5.075 -10.468
  413    HG   SER  62           HG       SER  62   6.562   7.442 -10.253
  414    H    GLU  63           H        GLU  63   6.464   2.481 -10.685
  415    HA   GLU  63           HA       GLU  63   4.937   2.694 -13.138
  416    HB2  GLU  63           HB2      GLU  63   6.311   0.738 -13.851
  417    HB3  GLU  63           HB3      GLU  63   7.263   2.134 -13.371
  418    HG2  GLU  63           HG2      GLU  63   7.737   1.112 -11.230
  419    HG3  GLU  63           HG3      GLU  63   6.716  -0.265 -11.639
  420    H    GLY  64           H        GLY  64   3.901   0.734 -14.047
  421    HA2  GLY  64           HA1      GLY  64   2.992  -1.518 -13.341
  422    HA3  GLY  64           HA2      GLY  64   2.393  -0.660 -11.927
  423    HA   PRO  65           HA       PRO  65  -0.847  -0.665 -15.354
  424    HB2  PRO  65           HB2      PRO  65  -2.613  -1.604 -13.209
  425    HB3  PRO  65           HB3      PRO  65  -2.344  -2.290 -14.813
  426    HG2  PRO  65           HG2      PRO  65  -1.465  -3.478 -12.549
  427    HG3  PRO  65           HG3      PRO  65  -0.620  -3.619 -14.099
  428    HD2  PRO  65           HD2      PRO  65   0.033  -1.930 -11.727
  429    HD3  PRO  65           HD3      PRO  65   1.122  -2.776 -12.844
  430    H    PHE  66           H        PHE  66  -1.211  -0.005 -11.917
  431    HA   PHE  66           HA       PHE  66  -2.141   2.702 -12.508
  432    HB2  PHE  66           HB2      PHE  66  -3.959   2.557 -10.921
  433    HB3  PHE  66           HB3      PHE  66  -4.145   1.247 -12.083
  434    HD1  PHE  66           HD1      PHE  66  -2.834  -0.983 -11.303
  435    HD2  PHE  66           HD2      PHE  66  -4.367   2.042  -8.736
  436    HE1  PHE  66           HE1      PHE  66  -2.919  -2.602  -9.452
  437    HE2  PHE  66           HE2      PHE  66  -4.453   0.428  -6.879
  438    HZ   PHE  66           HZ       PHE  66  -3.728  -1.897  -7.240
  439    H    GLY  67           H        GLY  67   0.281   1.265 -11.566
  440    HA2  GLY  67           HA1      GLY  67   1.958   2.053 -10.080
  441    HA3  GLY  67           HA2      GLY  67   0.689   2.655  -9.018
  442    H    HIS  68           H        HIS  68   2.166   1.438  -7.458
  443    HA   HIS  68           HA       HIS  68   0.990  -1.215  -7.047
  444    HB2  HIS  68           HB2      HIS  68   3.244  -1.412  -8.244
  445    HB3  HIS  68           HB3      HIS  68   3.967  -0.754  -6.772
  446    HD1  HIS  68           HD1      HIS  68   4.372  -3.678  -8.065
  447    HD2  HIS  68           HD2      HIS  68   2.105  -2.711  -4.712
  448    HE1  HIS  68           HE1      HIS  68   4.231  -5.789  -6.702
  449    HE2  HIS  68           HE2      HIS  68   2.686  -5.237  -4.787
  450    H    VAL  69           H        VAL  69  -0.118  -0.476  -5.134
  451    HA   VAL  69           HA       VAL  69   1.780   0.232  -3.012
  452    HB   VAL  69           HB       VAL  69  -0.130   1.213  -1.780
  453   HG11  VAL  69          2HG1      VAL  69  -0.236   3.231  -3.172
  454   HG12  VAL  69          1HG1      VAL  69   0.446   2.322  -4.521
  455   HG13  VAL  69          3HG1      VAL  69   1.400   2.582  -3.061
  456   HG21  VAL  69          3HG2      VAL  69  -1.601   0.786  -4.381
  457   HG22  VAL  69          2HG2      VAL  69  -2.179   1.749  -3.022
  458   HG23  VAL  69          1HG2      VAL  69  -1.963   0.009  -2.840
  459    H    ALA  70           H        ALA  70   2.269  -1.317  -1.764
  460    HA   ALA  70           HA       ALA  70   0.243  -3.340  -1.060
  461    HB1  ALA  70           HB1      ALA  70   2.010  -4.333  -2.398
  462    HB2  ALA  70           HB2      ALA  70   3.236  -3.661  -1.323
  463    HB3  ALA  70           HB3      ALA  70   2.132  -4.900  -0.733
  464    H    TYR  71           H        TYR  71  -0.272  -3.342   1.065
  465    HA   TYR  71           HA       TYR  71   0.972  -1.444   2.780
  466    HB2  TYR  71           HB2      TYR  71  -1.323  -1.774   3.171
  467    HB3  TYR  71           HB3      TYR  71  -1.160  -3.532   3.166
  468    HD1  TYR  71           HD2      TYR  71  -0.346  -4.720   5.124
  469    HD2  TYR  71           HD1      TYR  71  -0.810  -0.486   5.161
  470    HE1  TYR  71           HE2      TYR  71  -0.173  -4.720   7.581
  471    HE2  TYR  71           HE1      TYR  71  -0.643  -0.480   7.615
  472    HH   TYR  71           HH       TYR  71   0.460  -3.134   9.397
  473    H    VAL  72           H        VAL  72   2.521  -1.693   4.265
  474    HA   VAL  72           HA       VAL  72   4.047  -4.162   4.115
  475    HB   VAL  72           HB       VAL  72   4.753  -1.639   5.613
  476   HG11  VAL  72          2HG1      VAL  72   7.048  -2.476   5.390
  477   HG12  VAL  72          1HG1      VAL  72   6.431  -3.925   4.595
  478   HG13  VAL  72          3HG1      VAL  72   6.019  -3.600   6.279
  479   HG21  VAL  72          3HG2      VAL  72   6.093  -1.015   3.654
  480   HG22  VAL  72          2HG2      VAL  72   4.369  -1.083   3.274
  481   HG23  VAL  72          1HG2      VAL  72   5.438  -2.396   2.776
  482    H    GLU  73           H        GLU  73   3.412  -5.712   5.429
  483    HA   GLU  73           HA       GLU  73   2.026  -5.285   7.871
  484    HB2  GLU  73           HB2      GLU  73   3.368  -7.753   6.744
  485    HB3  GLU  73           HB3      GLU  73   2.332  -7.745   8.164
  486    HG2  GLU  73           HG2      GLU  73   1.313  -6.681   5.571
  487    HG3  GLU  73           HG3      GLU  73   1.373  -8.417   5.854
  488    H    SER  74           H        SER  74   5.372  -5.875   6.991
  489    HA   SER  74           HA       SER  74   6.532  -4.885   9.300
  490    HB2  SER  74           HB2      SER  74   5.376  -6.850  10.381
  491    HB3  SER  74           HB3      SER  74   6.368  -7.913   9.385
  492    HG   SER  74           HG       SER  74   6.998  -7.039  11.713
  493    H    VAL  75           H        VAL  75   8.794  -4.928   9.149
  494    HA   VAL  75           HA       VAL  75   9.885  -6.263   6.771
  495    HB   VAL  75           HB       VAL  75  11.205  -4.203   8.556
  496   HG11  VAL  75          2HG1      VAL  75  12.805  -5.661   7.426
  497   HG12  VAL  75          1HG1      VAL  75  12.864  -4.030   6.762
  498   HG13  VAL  75          3HG1      VAL  75  12.040  -5.311   5.874
  499   HG21  VAL  75          3HG2      VAL  75   9.937  -3.864   5.843
  500   HG22  VAL  75          2HG2      VAL  75  10.819  -2.624   6.735
  501   HG23  VAL  75          1HG2      VAL  75   9.299  -3.255   7.370
  502    H    ASN  76           H        ASN  76  11.236  -7.971   6.972
  503    HA   ASN  76           HA       ASN  76  11.250  -9.299   9.488
  504    HB2  ASN  76           HB2      ASN  76  12.550  -9.982   6.850
  505    HB3  ASN  76           HB3      ASN  76  12.607 -11.034   8.259
  506   HD21  ASN  76          1HD2      ASN  76  11.420 -11.480   5.631
  507   HD22  ASN  76          2HD2      ASN  76   9.752 -11.837   5.911
  508    H    SER  77           H        SER  77  13.395 -10.401  10.196
  509    HA   SER  77           HA       SER  77  15.022  -8.266  11.160
  510    HB2  SER  77           HB2      SER  77  15.493 -11.243  11.414
  511    HB3  SER  77           HB3      SER  77  16.139  -9.972  12.452
  512    HG   SER  77           HG       SER  77  14.416 -10.654  13.561
  513    H    ASP  78           H        ASP  78  15.250 -10.523   8.545
  514    HA   ASP  78           HA       ASP  78  18.105 -10.246   8.234
  515    HB2  ASP  78           HB2      ASP  78  17.782 -11.629   6.214
  516    HB3  ASP  78           HB3      ASP  78  17.051 -12.356   7.641
  517    H    GLY  79           H        GLY  79  15.256  -8.676   7.030
  518    HA2  GLY  79           HA1      GLY  79  15.854  -6.395   6.115
  519    HA3  GLY  79           HA2      GLY  79  16.900  -7.278   5.014
  520    H    SER  80           H        SER  80  14.813  -9.459   4.845
  521    HA   SER  80           HA       SER  80  13.394  -8.470   2.604
  522    HB2  SER  80           HB2      SER  80  12.786 -10.925   4.268
  523    HB3  SER  80           HB3      SER  80  12.244 -10.616   2.617
  524    HG   SER  80           HG       SER  80  14.813 -11.248   3.582
  525    H    VAL  81           H        VAL  81  11.230  -7.917   2.382
  526    HA   VAL  81           HA       VAL  81   9.963  -7.061   4.896
  527    HB   VAL  81           HB       VAL  81   9.642  -5.905   2.120
  528   HG11  VAL  81          2HG1      VAL  81   7.628  -5.670   3.497
  529   HG12  VAL  81          1HG1      VAL  81   8.411  -4.114   3.218
  530   HG13  VAL  81          3HG1      VAL  81   8.590  -4.925   4.774
  531   HG21  VAL  81          3HG2      VAL  81  11.844  -5.445   3.024
  532   HG22  VAL  81          2HG2      VAL  81  11.133  -4.879   4.535
  533   HG23  VAL  81          1HG2      VAL  81  10.869  -3.975   3.043
  534    H    THR  82           H        THR  82   8.065  -7.872   5.435
  535    HA   THR  82           HA       THR  82   6.616  -9.565   3.551
  536    HB   THR  82           HB       THR  82   6.009  -9.059   6.475
  537    HG1  THR  82           HG1      THR  82   7.463 -11.262   5.374
  538   HG21  THR  82          3HG2      THR  82   5.215 -11.301   4.607
  539   HG22  THR  82          1HG2      THR  82   4.157 -10.017   5.191
  540   HG23  THR  82          2HG2      THR  82   4.812 -11.202   6.320
  541    H    ILE  83           H        ILE  83   5.174  -8.550   2.296
  542    HA   ILE  83           HA       ILE  83   3.622  -6.345   3.476
  543    HB   ILE  83           HB       ILE  83   3.269  -5.511   1.166
  544   HG12  ILE  83          2HG1      ILE  83   5.098  -6.394  -0.499
  545   HG13  ILE  83          3HG1      ILE  83   5.031  -7.845   0.491
  546   HG21  ILE  83          2HG2      ILE  83   6.142  -5.755   2.030
  547   HG22  ILE  83          1HG2      ILE  83   4.988  -4.521   2.538
  548   HG23  ILE  83          3HG2      ILE  83   5.526  -4.589   0.859
  549   HD11  ILE  83          3HD1      ILE  83   2.624  -8.016   0.032
  550   HD12  ILE  83          2HD1      ILE  83   3.598  -8.069  -1.434
  551   HD13  ILE  83          1HD1      ILE  83   2.740  -6.594  -1.005
  552    H    SER  84           H        SER  84   1.431  -6.085   2.446
  553    HA   SER  84           HA       SER  84   0.309  -8.585   1.432
  554    HB2  SER  84           HB2      SER  84  -0.038  -8.441   3.940
  555    HB3  SER  84           HB3      SER  84  -1.040  -7.022   3.641
  556    HG   SER  84           HG       SER  84  -2.522  -8.551   3.540
  557    H    GLU  85           H        GLU  85  -0.634  -8.108  -0.401
  558    HA   GLU  85           HA       GLU  85  -2.074  -5.567  -0.693
  559    HB2  GLU  85           HB2      GLU  85  -1.220  -5.433  -3.038
  560    HB3  GLU  85           HB3      GLU  85   0.027  -5.237  -1.814
  561    HG2  GLU  85           HG2      GLU  85   0.718  -7.554  -2.142
  562    HG3  GLU  85           HG3      GLU  85  -0.536  -7.755  -3.366
  563    H    MET  86           H        MET  86  -4.137  -6.067  -1.000
  564    HA   MET  86           HA       MET  86  -4.911  -8.630  -2.043
  565    HB2  MET  86           HB2      MET  86  -6.140  -7.631  -0.184
  566    HB3  MET  86           HB3      MET  86  -6.571  -6.257  -1.191
  567    HG2  MET  86           HG2      MET  86  -7.922  -7.626  -2.599
  568    HG3  MET  86           HG3      MET  86  -7.376  -9.087  -1.779
  569    HE1  MET  86           HE1      MET  86  -7.439  -8.504   1.228
  570    HE2  MET  86           HE2      MET  86  -9.099  -8.895   1.673
  571    HE3  MET  86           HE3      MET  86  -8.229  -9.914   0.525
  572    H    ASN  87           H        ASN  87  -5.352  -9.110  -4.048
  573    HA   ASN  87           HA       ASN  87  -6.210  -9.055  -6.131
  574    HB2  ASN  87           HB2      ASN  87  -8.058  -7.684  -5.338
  575    HB3  ASN  87           HB3      ASN  87  -7.073  -6.232  -5.501
  576   HD21  ASN  87          1HD2      ASN  87  -8.591  -5.354  -6.942
  577   HD22  ASN  87          2HD2      ASN  87  -8.710  -5.896  -8.575
  578    H    TYR  88           H        TYR  88  -4.909  -5.745  -5.631
  579    HA   TYR  88           HA       TYR  88  -3.413  -4.528  -6.868
  580    HB2  TYR  88           HB2      TYR  88  -1.891  -6.342  -6.114
  581    HB3  TYR  88           HB3      TYR  88  -2.287  -7.260  -7.557
  582    HD1  TYR  88           HD1      TYR  88  -1.361  -3.662  -7.048
  583    HD2  TYR  88           HD2      TYR  88  -0.415  -7.379  -8.892
  584    HE1  TYR  88           HE1      TYR  88   0.514  -2.596  -8.229
  585    HE2  TYR  88           HE2      TYR  88   1.459  -6.321 -10.080
  586    HH   TYR  88           HH       TYR  88   2.219  -4.154 -10.783
  587    H    SER  89           H        SER  89  -5.913  -5.409  -8.061
  588    HA   SER  89           HA       SER  89  -7.061  -5.287 -10.003
  589    HB2  SER  89           HB2      SER  89  -4.491  -4.071 -11.038
  590    HB3  SER  89           HB3      SER  89  -6.038  -4.042 -11.886
  591    HG   SER  89           HG       SER  89  -6.385  -3.168  -9.378
  592    H    GLY  90           H        GLY  90  -6.036  -7.750  -9.421
  593    HA2  GLY  90           HA1      GLY  90  -5.497  -8.797 -12.126
  594    HA3  GLY  90           HA2      GLY  90  -4.695  -9.455 -10.706
  595    H    GLY  91           H        GLY  91  -6.422  -9.903  -8.889
  596    HA2  GLY  91           HA1      GLY  91  -8.893 -11.002 -10.014
  597    HA3  GLY  91           HA2      GLY  91  -7.843 -12.076  -9.092
  598    HA   PRO  92           HA       PRO  92 -10.302  -8.404  -6.629
  599    HB2  PRO  92           HB2      PRO  92 -12.618 -10.266  -7.031
  600    HB3  PRO  92           HB3      PRO  92 -12.614  -8.515  -6.767
  601    HG2  PRO  92           HG2      PRO  92 -12.927  -9.483  -9.214
  602    HG3  PRO  92           HG3      PRO  92 -11.906  -8.056  -8.937
  603    HD2  PRO  92           HD2      PRO  92 -11.117 -10.859  -9.557
  604    HD3  PRO  92           HD3      PRO  92 -10.306  -9.338  -9.974
  605    H    PHE  93           H        PHE  93  -9.484  -8.736  -4.735
  606    HA   PHE  93           HA       PHE  93  -9.372  -9.360  -2.584
  607    HB2  PHE  93           HB2      PHE  93 -11.360 -11.494  -3.325
  608    HB3  PHE  93           HB3      PHE  93 -10.682 -11.287  -1.711
  609    HD1  PHE  93           HD1      PHE  93 -12.819  -9.749  -4.287
  610    HD2  PHE  93           HD2      PHE  93 -11.444  -9.563  -0.263
  611    HE1  PHE  93           HE1      PHE  93 -14.570  -8.103  -3.768
  612    HE2  PHE  93           HE2      PHE  93 -13.192  -7.914   0.261
  613    HZ   PHE  93           HZ       PHE  93 -14.761  -7.181  -1.492
  614    H    SER  94           H        SER  94  -8.035 -11.004  -5.078
  615    HA   SER  94           HA       SER  94  -6.879 -13.147  -3.568
  616    HB2  SER  94           HB2      SER  94  -5.075 -13.157  -5.329
  617    HB3  SER  94           HB3      SER  94  -6.714 -13.353  -5.967
  618    HG   SER  94           HG       SER  94  -6.687 -11.177  -6.577
  619    H    VAL  95           H        VAL  95  -6.251 -12.256  -1.616
  620    HA   VAL  95           HA       VAL  95  -4.594 -10.008  -1.410
  621    HB   VAL  95           HB       VAL  95  -5.744 -10.690   0.552
  622   HG11  VAL  95          2HG1      VAL  95  -4.244 -13.295   0.409
  623   HG12  VAL  95          1HG1      VAL  95  -5.964 -13.055   0.101
  624   HG13  VAL  95          3HG1      VAL  95  -5.314 -12.794   1.718
  625   HG21  VAL  95          3HG2      VAL  95  -3.598  -9.634   0.950
  626   HG22  VAL  95          2HG2      VAL  95  -2.800 -11.208   0.929
  627   HG23  VAL  95          1HG2      VAL  95  -3.950 -10.818   2.209
  628    H    SER  96           H        SER  96  -2.793  -9.936  -2.591
  629    HA   SER  96           HA       SER  96  -1.421 -12.350  -3.323
  630    HB2  SER  96           HB2      SER  96  -0.798  -9.488  -4.069
  631    HB3  SER  96           HB3      SER  96  -0.214 -10.941  -4.883
  632    HG   SER  96           HG       SER  96  -2.964 -10.735  -4.610
  633    H    SER  97           H        SER  97   0.595 -12.949  -2.830
  634    HA   SER  97           HA       SER  97   1.831 -11.526  -0.566
  635    HB2  SER  97           HB2      SER  97   2.984 -13.742  -0.170
  636    HB3  SER  97           HB3      SER  97   1.232 -13.757   0.036
  637    HG   SER  97           HG       SER  97   2.806 -14.846  -2.030
  638    H    ARG  98           H        ARG  98   3.646 -10.451  -0.896
  639    HA   ARG  98           HA       ARG  98   5.563 -11.459  -2.884
  640    HB2  ARG  98           HB2      ARG  98   4.384  -8.747  -2.680
  641    HB3  ARG  98           HB3      ARG  98   6.109  -8.822  -2.979
  642    HG2  ARG  98           HG2      ARG  98   4.021 -10.190  -4.656
  643    HG3  ARG  98           HG3      ARG  98   4.745  -8.625  -5.029
  644    HD2  ARG  98           HD2      ARG  98   6.991  -9.930  -4.803
  645    HD3  ARG  98           HD3      ARG  98   5.975 -11.349  -5.060
  646    HE   ARG  98           HE       ARG  98   6.101  -9.105  -6.975
  647   HH11  ARG  98          2HH1      ARG  98   6.001 -12.554  -6.291
  648   HH12  ARG  98          1HH1      ARG  98   6.124 -13.002  -7.968
  649   HH21  ARG  98          2HH2      ARG  98   6.255  -9.705  -9.159
  650   HH22  ARG  98          1HH2      ARG  98   6.238 -11.392  -9.594
  651    H    THR  99           H        THR  99   7.562 -11.659  -2.131
  652    HA   THR  99           HA       THR  99   8.147 -10.609   0.541
  653    HB   THR  99           HB       THR  99   9.746 -12.602  -1.087
  654    HG1  THR  99           HG1      THR  99   7.987 -13.756  -0.587
  655   HG21  THR  99          3HG2      THR  99   9.845 -11.872   1.846
  656   HG22  THR  99          1HG2      THR  99  11.053 -11.446   0.632
  657   HG23  THR  99          2HG2      THR  99  10.797 -13.136   1.066
  658    H    ILE 100           H        ILE 100   8.744  -8.522   0.260
  659    HA   ILE 100           HA       ILE 100  10.311  -7.649  -1.976
  660    HB   ILE 100           HB       ILE 100   9.708  -6.147   0.580
  661   HG12  ILE 100          2HG1      ILE 100   7.615  -6.793  -0.467
  662   HG13  ILE 100          3HG1      ILE 100   7.888  -5.068  -0.715
  663   HG21  ILE 100          2HG2      ILE 100  10.130  -4.144  -0.769
  664   HG22  ILE 100          1HG2      ILE 100  10.567  -5.166  -2.137
  665   HG23  ILE 100          3HG2      ILE 100  11.547  -5.189  -0.672
  666   HD11  ILE 100          3HD1      ILE 100   7.006  -6.146  -2.713
  667   HD12  ILE 100          2HD1      ILE 100   8.394  -7.232  -2.747
  668   HD13  ILE 100          1HD1      ILE 100   8.625  -5.500  -2.991
  669    H    SER 101           H        SER 101  12.413  -8.262  -2.093
  670    HA   SER 101           HA       SER 101  14.042  -8.458   0.277
  671    HB2  SER 101           HB2      SER 101  14.528  -9.912  -1.620
  672    HB3  SER 101           HB3      SER 101  14.775  -8.513  -2.665
  673    HG   SER 101           HG       SER 101  16.618  -9.739  -1.357
  674    H    ALA 102           H        ALA 102  16.002  -7.108   0.565
  675    HA   ALA 102           HA       ALA 102  15.479  -4.401   0.683
  676    HB1  ALA 102           HB1      ALA 102  17.242  -5.521   1.963
  677    HB2  ALA 102           HB2      ALA 102  18.195  -5.694   0.489
  678    HB3  ALA 102           HB3      ALA 102  17.846  -4.088   1.130
  679    H    SER 103           H        SER 103  16.820  -6.266  -1.952
  680    HA   SER 103           HA       SER 103  17.862  -4.233  -3.551
  681    HB2  SER 103           HB2      SER 103  16.432  -6.711  -4.540
  682    HB3  SER 103           HB3      SER 103  17.698  -5.804  -5.369
  683    HG   SER 103           HG       SER 103  19.126  -6.422  -3.663
  684    H    GLU 104           H        GLU 104  14.558  -5.515  -3.313
  685    HA   GLU 104           HA       GLU 104  13.589  -3.571  -5.236
  686    HB2  GLU 104           HB2      GLU 104  12.007  -5.510  -3.541
  687    HB3  GLU 104           HB3      GLU 104  11.399  -4.572  -4.893
  688    HG2  GLU 104           HG2      GLU 104  11.707  -6.538  -5.950
  689    HG3  GLU 104           HG3      GLU 104  13.318  -5.859  -6.173
  690    H    ALA 105           H        ALA 105  13.827  -3.980  -1.803
  691    HA   ALA 105           HA       ALA 105  11.818  -2.261  -0.920
  692    HB1  ALA 105           HB1      ALA 105  13.083  -2.082   1.149
  693    HB2  ALA 105           HB2      ALA 105  13.087  -3.743   0.558
  694    HB3  ALA 105           HB3      ALA 105  14.513  -2.731   0.346
  695    H    GLY 106           H        GLY 106  15.114  -1.557  -1.969
  696    HA2  GLY 106           HA1      GLY 106  14.962   1.241  -1.385
  697    HA3  GLY 106           HA2      GLY 106  16.166   0.449  -2.392
  698    H    ASN 107           H        ASN 107  13.482  -0.605  -3.753
  699    HA   ASN 107           HA       ASN 107  13.551   1.423  -5.841
  700    HB2  ASN 107           HB2      ASN 107  13.671  -0.847  -6.603
  701    HB3  ASN 107           HB3      ASN 107  12.267  -1.307  -5.646
  702   HD21  ASN 107          1HD2      ASN 107  10.210  -0.890  -6.438
  703   HD22  ASN 107          2HD2      ASN 107   9.931  -0.336  -8.048
  704    H    TYR 108           H        TYR 108  11.361   0.141  -3.429
  705    HA   TYR 108           HA       TYR 108   9.107   1.595  -4.548
  706    HB2  TYR 108           HB2      TYR 108   9.314  -0.205  -2.136
  707    HB3  TYR 108           HB3      TYR 108   7.826   0.532  -2.712
  708    HD1  TYR 108           HD2      TYR 108   6.917  -0.156  -4.948
  709    HD2  TYR 108           HD1      TYR 108  10.134  -2.210  -3.076
  710    HE1  TYR 108           HE2      TYR 108   6.503  -2.108  -6.386
  711    HE2  TYR 108           HE1      TYR 108   9.723  -4.166  -4.502
  712    HH   TYR 108           HH       TYR 108   8.032  -5.160  -5.827
  713    H    ASN 109           H        ASN 109   8.151   3.326  -3.679
  714    HA   ASN 109           HA       ASN 109   9.480   4.781  -1.540
  715    HB2  ASN 109           HB2      ASN 109   6.987   5.417  -3.150
  716    HB3  ASN 109           HB3      ASN 109   7.751   6.513  -2.007
  717   HD21  ASN 109          1HD2      ASN 109   7.212   6.711  -4.893
  718   HD22  ASN 109          2HD2      ASN 109   8.739   7.083  -5.620
  719    H    TYR 110           H        TYR 110   7.935   5.709   0.213
  720    HA   TYR 110           HA       TYR 110   5.531   4.176   0.649
  721    HB2  TYR 110           HB2      TYR 110   6.064   3.184   2.711
  722    HB3  TYR 110           HB3      TYR 110   7.450   2.838   1.687
  723    HD1  TYR 110           HD2      TYR 110   9.232   4.980   1.848
  724    HD2  TYR 110           HD1      TYR 110   6.612   3.580   4.877
  725    HE1  TYR 110           HE2      TYR 110  10.691   5.954   3.559
  726    HE2  TYR 110           HE1      TYR 110   8.062   4.554   6.600
  727    HH   TYR 110           HH       TYR 110  10.400   5.252   6.870
  728    H    ILE 111           H        ILE 111   3.996   5.378   1.669
  729    HA   ILE 111           HA       ILE 111   4.875   8.015   2.579
  730    HB   ILE 111           HB       ILE 111   2.603   8.781   2.277
  731   HG12  ILE 111          2HG1      ILE 111   1.920   5.968   1.405
  732   HG13  ILE 111          3HG1      ILE 111   1.487   6.656   2.959
  733   HG21  ILE 111          2HG2      ILE 111   3.523   7.139  -0.082
  734   HG22  ILE 111          1HG2      ILE 111   4.050   8.775   0.317
  735   HG23  ILE 111          3HG2      ILE 111   2.375   8.476  -0.146
  736   HD11  ILE 111          3HD1      ILE 111  -0.394   6.688   1.427
  737   HD12  ILE 111          2HD1      ILE 111   0.548   7.630   0.270
  738   HD13  ILE 111          1HD1      ILE 111   0.111   8.332   1.827
  739    H    HIS 112           H        HIS 112   4.830   8.509   4.656
  740    HA   HIS 112           HA       HIS 112   3.175   6.846   6.424
  741    HB2  HIS 112           HB2      HIS 112   4.969   6.720   8.090
  742    HB3  HIS 112           HB3      HIS 112   5.447   5.955   6.583
  743    HD1  HIS 112           HD1      HIS 112   6.296   8.722   8.892
  744    HD2  HIS 112           HD2      HIS 112   7.563   7.277   5.182
  745    HE1  HIS 112           HE1      HIS 112   8.476   9.880   8.420
  746    HE2  HIS 112           HE2      HIS 112   9.165   9.090   6.134
  747    H    ILE 113           H        ILE 113   2.643   7.866   8.447
  748    HA   ILE 113           HA       ILE 113   1.840  10.553   7.933
  749    HB   ILE 113           HB       ILE 113   1.593   9.168  10.605
  750   HG12  ILE 113          2HG1      ILE 113  -0.754   8.537   9.603
  751   HG13  ILE 113          3HG1      ILE 113   0.088   8.646   8.063
  752   HG21  ILE 113          2HG2      ILE 113  -0.511  10.467  10.706
  753   HG22  ILE 113          1HG2      ILE 113  -0.077  11.228   9.175
  754   HG23  ILE 113          3HG2      ILE 113   0.932  11.476  10.601
  755   HD11  ILE 113          3HD1      ILE 113   1.660   6.937   8.795
  756   HD12  ILE 113          2HD1      ILE 113  -0.005   6.360   8.879
  757   HD13  ILE 113          1HD1      ILE 113   0.837   6.841  10.352
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1 -21.686   1.209   5.996
    2    H2   GLY   1           H2       GLY   1 -21.420   2.103   7.406
    3    H3   GLY   1           H3       GLY   1 -21.043   2.775   5.894
    4    HA2  GLY   1           HA2      GLY   1 -23.083   3.731   6.686
    5    HA3  GLY   1           HA1      GLY   1 -23.399   2.725   5.280
    6    H    SER   2           H        SER   2 -24.865   3.578   7.892
    7    HA   SER   2           HA       SER   2 -25.297   1.196   9.377
    8    HB2  SER   2           HB2      SER   2 -27.243   2.533  10.328
    9    HB3  SER   2           HB3      SER   2 -25.645   3.260  10.496
   10    HG   SER   2           HG       SER   2 -26.110   4.698   8.911
   11    H    SER   3           H        SER   3 -26.715   2.441   6.471
   12    HA   SER   3           HA       SER   3 -29.119   0.878   6.636
   13    HB2  SER   3           HB2      SER   3 -29.309   1.509   4.178
   14    HB3  SER   3           HB3      SER   3 -29.248   2.855   5.316
   15    HG   SER   3           HG       SER   3 -27.772   2.651   3.266
   16    H    ILE   4           H        ILE   4 -25.971   0.075   6.178
   17    HA   ILE   4           HA       ILE   4 -24.821  -1.702   5.398
   18    HB   ILE   4           HB       ILE   4 -27.436  -3.197   5.592
   19   HG12  ILE   4          2HG1      ILE   4 -26.969  -1.991   7.689
   20   HG13  ILE   4          3HG1      ILE   4 -26.801  -3.731   7.897
   21   HG21  ILE   4          2HG2      ILE   4 -25.990  -5.134   6.023
   22   HG22  ILE   4          1HG2      ILE   4 -24.571  -4.118   5.777
   23   HG23  ILE   4          3HG2      ILE   4 -25.681  -4.418   4.440
   24   HD11  ILE   4          3HD1      ILE   4 -24.567  -1.735   7.592
   25   HD12  ILE   4          2HD1      ILE   4 -24.360  -3.483   7.722
   26   HD13  ILE   4          1HD1      ILE   4 -25.045  -2.574   9.068
   27    H    SER   5           H        SER   5 -24.693  -0.505   3.388
   28    HA   SER   5           HA       SER   5 -25.843  -2.078   1.178
   29    HB2  SER   5           HB2      SER   5 -24.967   0.827   1.067
   30    HB3  SER   5           HB3      SER   5 -25.751  -0.091  -0.221
   31    HG   SER   5           HG       SER   5 -27.527  -0.363   1.361
   32    H    HIS   6           H        HIS   6 -23.144   0.014   2.110
   33    HA   HIS   6           HA       HIS   6 -21.308  -2.064   1.165
   34    HB2  HIS   6           HB2      HIS   6 -21.294  -0.160  -0.454
   35    HB3  HIS   6           HB3      HIS   6 -20.844   0.919   0.863
   36    HD1  HIS   6           HD1      HIS   6 -18.410   0.759   1.764
   37    HD2  HIS   6           HD2      HIS   6 -19.234  -1.776  -1.433
   38    HE1  HIS   6           HE1      HIS   6 -16.180  -0.081   0.963
   39    HE2  HIS   6           HE2      HIS   6 -16.691  -1.486  -1.059
   40    H    SER   7           H        SER   7 -19.915  -2.658   2.705
   41    HA   SER   7           HA       SER   7 -19.764  -0.975   5.115
   42    HB2  SER   7           HB2      SER   7 -19.278  -3.955   4.905
   43    HB3  SER   7           HB3      SER   7 -19.421  -3.002   6.382
   44    HG   SER   7           HG       SER   7 -21.348  -4.198   5.719
   45    H    GLY   8           H        GLY   8 -17.780  -0.442   5.946
   46    HA2  GLY   8           HA1      GLY   8 -15.432  -1.186   6.238
   47    HA3  GLY   8           HA2      GLY   8 -15.420  -1.505   4.510
   48    H    ASN   9           H        ASN   9 -14.558   0.014   3.265
   49    HA   ASN   9           HA       ASN   9 -14.374   2.738   4.369
   50    HB2  ASN   9           HB2      ASN   9 -12.233   3.014   3.238
   51    HB3  ASN   9           HB3      ASN   9 -12.177   1.637   4.328
   52   HD21  ASN   9          1HD2      ASN   9 -11.885  -0.389   3.514
   53   HD22  ASN   9          2HD2      ASN   9 -11.510  -0.704   1.857
   54    H    LEU  10           H        LEU  10 -13.227   3.784   1.891
   55    HA   LEU  10           HA       LEU  10 -15.767   4.413   0.694
   56    HB2  LEU  10           HB2      LEU  10 -13.000   5.388   0.016
   57    HB3  LEU  10           HB3      LEU  10 -14.499   6.069  -0.584
   58    HG   LEU  10           HG       LEU  10 -13.602   6.076   2.303
   59   HD11  LEU  10          2HD1      LEU  10 -13.351   8.485   1.972
   60   HD12  LEU  10          1HD1      LEU  10 -13.754   8.293   0.266
   61   HD13  LEU  10          3HD1      LEU  10 -12.280   7.570   0.912
   62   HD21  LEU  10          3HD2      LEU  10 -16.000   7.366   0.998
   63   HD22  LEU  10          2HD2      LEU  10 -15.525   7.514   2.690
   64   HD23  LEU  10          1HD2      LEU  10 -16.044   5.954   2.054
   65    H    TYR  11           H        TYR  11 -13.055   2.384  -0.126
   66    HA   TYR  11           HA       TYR  11 -13.510   2.619  -2.971
   67    HB2  TYR  11           HB2      TYR  11 -11.280   2.091  -1.499
   68    HB3  TYR  11           HB3      TYR  11 -11.726   0.472  -2.029
   69    HD1  TYR  11           HD2      TYR  11 -10.884   3.876  -3.220
   70    HD2  TYR  11           HD1      TYR  11 -11.357  -0.218  -4.272
   71    HE1  TYR  11           HE2      TYR  11  -9.877   4.328  -5.416
   72    HE2  TYR  11           HE1      TYR  11 -10.350   0.224  -6.468
   73    HH   TYR  11           HH       TYR  11 -10.020   2.139  -7.992
   74    H    THR  12           H        THR  12 -13.061   0.091  -3.913
   75    HA   THR  12           HA       THR  12 -15.737  -0.852  -3.923
   76    HB   THR  12           HB       THR  12 -13.326  -2.235  -5.104
   77    HG1  THR  12           HG1      THR  12 -14.935  -0.356  -6.494
   78   HG21  THR  12          3HG2      THR  12 -14.916  -3.037  -6.775
   79   HG22  THR  12          1HG2      THR  12 -16.223  -2.178  -5.959
   80   HG23  THR  12          2HG2      THR  12 -15.413  -3.523  -5.154
   81    H    ALA  13           H        ALA  13 -13.267  -3.269  -3.900
   82    HA   ALA  13           HA       ALA  13 -13.398  -4.251  -1.310
   83    HB1  ALA  13           HB1      ALA  13 -15.343  -5.635  -3.169
   84    HB2  ALA  13           HB2      ALA  13 -14.921  -6.148  -1.536
   85    HB3  ALA  13           HB3      ALA  13 -15.793  -4.636  -1.788
   86    H    GLY  14           H        GLY  14 -11.623  -5.468  -1.193
   87    HA2  GLY  14           HA1      GLY  14  -9.860  -6.792  -1.843
   88    HA3  GLY  14           HA2      GLY  14 -10.915  -7.444  -3.092
   89    H    GLN  15           H        GLN  15  -9.630  -4.193  -2.488
   90    HA   GLN  15           HA       GLN  15  -8.456  -4.281  -5.191
   91    HB2  GLN  15           HB2      GLN  15  -9.576  -1.903  -3.693
   92    HB3  GLN  15           HB3      GLN  15  -8.733  -1.804  -5.233
   93    HG2  GLN  15           HG2      GLN  15 -11.247  -3.401  -4.815
   94    HG3  GLN  15           HG3      GLN  15 -11.225  -1.728  -5.371
   95   HE21  GLN  15          1HE2      GLN  15 -10.242  -4.990  -6.128
   96   HE22  GLN  15          2HE2      GLN  15 -10.146  -4.770  -7.848
   97    H    CYS  16           H        CYS  16  -6.506  -2.997  -5.481
   98    HA   CYS  16           HA       CYS  16  -4.540  -3.621  -3.597
   99    HB2  CYS  16           HB2      CYS  16  -3.152  -1.956  -4.960
  100    HB3  CYS  16           HB3      CYS  16  -3.831  -3.334  -5.821
  101    HG   CYS  16           HG       CYS  16  -3.907  -0.820  -7.280
  102    H    THR  17           H        THR  17  -6.334  -0.623  -4.145
  103    HA   THR  17           HA       THR  17  -4.830   0.668  -1.980
  104    HB   THR  17           HB       THR  17  -6.021   2.734  -2.669
  105    HG1  THR  17           HG1      THR  17  -7.832   2.361  -3.726
  106   HG21  THR  17          3HG2      THR  17  -4.673   1.244  -4.921
  107   HG22  THR  17          1HG2      THR  17  -3.867   2.202  -3.678
  108   HG23  THR  17          2HG2      THR  17  -4.923   2.988  -4.852
  109    H    TRP  18           H        TRP  18  -7.421  -1.275  -2.248
  110    HA   TRP  18           HA       TRP  18  -9.181   0.054  -0.364
  111    HB2  TRP  18           HB2      TRP  18 -10.185  -1.174  -2.198
  112    HB3  TRP  18           HB3      TRP  18  -9.302  -2.627  -1.754
  113    HD1  TRP  18           HD1      TRP  18 -12.354  -0.563  -0.801
  114    HE1  TRP  18           HE1      TRP  18 -13.824  -1.962   0.780
  115    HE3  TRP  18           HE3      TRP  18  -9.191  -4.495   0.036
  116    HZ2  TRP  18           HZ2      TRP  18 -13.682  -4.380   2.187
  117    HZ3  TRP  18           HZ3      TRP  18  -9.945  -6.307   1.516
  118    HH2  TRP  18           HH2      TRP  18 -12.140  -6.251   2.569
  119    H    TYR  19           H        TYR  19  -7.277  -2.961  -0.525
  120    HA   TYR  19           HA       TYR  19  -7.795  -3.812   2.101
  121    HB2  TYR  19           HB2      TYR  19  -6.866  -5.317   0.429
  122    HB3  TYR  19           HB3      TYR  19  -5.407  -4.343   0.316
  123    HD1  TYR  19           HD2      TYR  19  -7.306  -6.659   2.482
  124    HD2  TYR  19           HD1      TYR  19  -3.626  -4.610   1.885
  125    HE1  TYR  19           HE2      TYR  19  -6.258  -8.040   4.228
  126    HE2  TYR  19           HE1      TYR  19  -2.570  -5.985   3.623
  127    HH   TYR  19           HH       TYR  19  -3.366  -7.292   5.678
  128    H    VAL  20           H        VAL  20  -5.196  -1.856   0.754
  129    HA   VAL  20           HA       VAL  20  -3.652  -1.470   3.029
  130    HB   VAL  20           HB       VAL  20  -4.197   0.476   0.780
  131   HG11  VAL  20          2HG1      VAL  20  -3.319   1.639   2.722
  132   HG12  VAL  20          1HG1      VAL  20  -2.095   1.550   1.455
  133   HG13  VAL  20          3HG1      VAL  20  -2.003   0.473   2.848
  134   HG21  VAL  20          3HG2      VAL  20  -3.257  -1.617   0.001
  135   HG22  VAL  20          2HG2      VAL  20  -1.976  -1.519   1.208
  136   HG23  VAL  20          1HG2      VAL  20  -2.047  -0.338  -0.099
  137    H    TYR  21           H        TYR  21  -6.355   0.529   1.837
  138    HA   TYR  21           HA       TYR  21  -6.176   2.428   3.922
  139    HB2  TYR  21           HB2      TYR  21  -7.297   2.739   1.658
  140    HB3  TYR  21           HB3      TYR  21  -8.657   1.835   2.310
  141    HD1  TYR  21           HD1      TYR  21  -6.513   4.764   3.169
  142    HD2  TYR  21           HD2      TYR  21 -10.376   2.996   3.292
  143    HE1  TYR  21           HE1      TYR  21  -7.406   6.817   4.172
  144    HE2  TYR  21           HE2      TYR  21 -11.292   5.043   4.283
  145    HH   TYR  21           HH       TYR  21  -9.505   7.976   4.463
  146    H    ASP  22           H        ASP  22  -7.965  -0.553   3.545
  147    HA   ASP  22           HA       ASP  22  -9.663  -0.191   5.796
  148    HB2  ASP  22           HB2      ASP  22 -10.133  -1.770   3.932
  149    HB3  ASP  22           HB3      ASP  22  -8.792  -2.771   4.476
  150    H    LYS  23           H        LYS  23  -6.559  -1.811   5.297
  151    HA   LYS  23           HA       LYS  23  -6.321  -2.855   7.914
  152    HB2  LYS  23           HB2      LYS  23  -4.435  -2.415   5.646
  153    HB3  LYS  23           HB3      LYS  23  -3.773  -2.793   7.230
  154    HG2  LYS  23           HG2      LYS  23  -5.838  -4.477   5.832
  155    HG3  LYS  23           HG3      LYS  23  -4.098  -4.754   5.732
  156    HD2  LYS  23           HD2      LYS  23  -5.739  -4.757   8.268
  157    HD3  LYS  23           HD3      LYS  23  -5.144  -6.189   7.424
  158    HE2  LYS  23           HE2      LYS  23  -2.826  -5.364   7.766
  159    HE3  LYS  23           HE3      LYS  23  -3.476  -4.023   8.706
  160    HZ1  LYS  23           HZ1      LYS  23  -2.702  -5.803  10.131
  161    HZ2  LYS  23           HZ2      LYS  23  -3.742  -6.906   9.372
  162    HZ3  LYS  23           HZ3      LYS  23  -4.384  -5.624  10.281
  163    H    VAL  24           H        VAL  24  -5.441   0.270   6.532
  164    HA   VAL  24           HA       VAL  24  -3.994   1.019   8.925
  165    HB   VAL  24           HB       VAL  24  -3.671   3.205   7.899
  166   HG11  VAL  24          2HG1      VAL  24  -2.357   2.513   5.965
  167   HG12  VAL  24          1HG1      VAL  24  -3.179   0.953   5.955
  168   HG13  VAL  24          3HG1      VAL  24  -2.144   1.394   7.313
  169   HG21  VAL  24          3HG2      VAL  24  -4.500   3.683   5.641
  170   HG22  VAL  24          2HG2      VAL  24  -5.820   3.470   6.793
  171   HG23  VAL  24          1HG2      VAL  24  -5.416   2.177   5.663
  172    H    GLY  25           H        GLY  25  -7.201   0.768   8.202
  173    HA2  GLY  25           HA1      GLY  25  -9.016   1.323   9.522
  174    HA3  GLY  25           HA2      GLY  25  -7.923   2.189  10.589
  175    H    GLY  26           H        GLY  26  -7.360   3.294   7.541
  176    HA2  GLY  26           HA1      GLY  26  -8.302   4.998   6.249
  177    HA3  GLY  26           HA2      GLY  26  -9.559   5.190   7.461
  178    H    GLU  27           H        GLU  27  -6.658   5.137   9.090
  179    HA   GLU  27           HA       GLU  27  -6.857   7.899   9.701
  180    HB2  GLU  27           HB2      GLU  27  -5.007   7.561  11.178
  181    HB3  GLU  27           HB3      GLU  27  -6.053   6.160  11.295
  182    HG2  GLU  27           HG2      GLU  27  -4.521   4.934   9.810
  183    HG3  GLU  27           HG3      GLU  27  -3.451   6.338   9.793
  184    H    ILE  28           H        ILE  28  -5.129   6.126   7.317
  185    HA   ILE  28           HA       ILE  28  -3.920   8.638   6.409
  186    HB   ILE  28           HB       ILE  28  -1.869   7.810   6.676
  187   HG12  ILE  28          2HG1      ILE  28  -2.553   7.032   4.210
  188   HG13  ILE  28          3HG1      ILE  28  -0.954   6.690   4.887
  189   HG21  ILE  28          2HG2      ILE  28  -3.055   5.081   7.140
  190   HG22  ILE  28          1HG2      ILE  28  -2.683   6.287   8.371
  191   HG23  ILE  28          3HG2      ILE  28  -1.380   5.542   7.445
  192   HD11  ILE  28          3HD1      ILE  28  -3.306   4.803   4.784
  193   HD12  ILE  28          2HD1      ILE  28  -1.735   4.444   5.504
  194   HD13  ILE  28          1HD1      ILE  28  -1.863   4.745   3.771
  195    H    GLY  29           H        GLY  29  -4.345   9.162   4.338
  196    HA2  GLY  29           HA1      GLY  29  -4.232   8.456   2.031
  197    HA3  GLY  29           HA2      GLY  29  -5.007   6.957   2.508
  198    H    SER  30           H        SER  30  -6.720   6.940   1.283
  199    HA   SER  30           HA       SER  30  -8.804   7.274   0.534
  200    HB2  SER  30           HB2      SER  30 -10.397   8.580   1.668
  201    HB3  SER  30           HB3      SER  30  -9.280   8.050   2.921
  202    HG   SER  30           HG       SER  30  -8.251  10.123   2.715
  203    H    THR  31           H        THR  31  -6.875  10.223   0.810
  204    HA   THR  31           HA       THR  31  -8.103  11.221  -1.655
  205    HB   THR  31           HB       THR  31  -6.780  13.304  -1.119
  206    HG1  THR  31           HG1      THR  31  -5.691  13.420   0.767
  207   HG21  THR  31          3HG2      THR  31  -8.256  14.011   0.712
  208   HG22  THR  31          1HG2      THR  31  -8.715  12.330   0.988
  209   HG23  THR  31          2HG2      THR  31  -9.143  13.124  -0.527
  210    H    TRP  32           H        TRP  32  -5.888   9.054  -1.181
  211    HA   TRP  32           HA       TRP  32  -3.601  10.262  -2.473
  212    HB2  TRP  32           HB2      TRP  32  -2.493   8.117  -2.134
  213    HB3  TRP  32           HB3      TRP  32  -3.244   8.673  -0.645
  214    HD1  TRP  32           HD1      TRP  32  -5.254   6.912  -3.375
  215    HE1  TRP  32           HE1      TRP  32  -6.075   4.681  -2.486
  216    HE3  TRP  32           HE3      TRP  32  -2.739   6.863   1.058
  217    HZ2  TRP  32           HZ2      TRP  32  -5.724   3.068  -0.178
  218    HZ3  TRP  32           HZ3      TRP  32  -3.039   4.929   2.553
  219    HH2  TRP  32           HH2      TRP  32  -4.501   3.074   1.950
  220    H    GLY  33           H        GLY  33  -6.433   9.140  -3.666
  221    HA2  GLY  33           HA1      GLY  33  -7.075   8.642  -5.824
  222    HA3  GLY  33           HA2      GLY  33  -5.409   8.901  -6.315
  223    H    ASN  34           H        ASN  34  -4.458   7.214  -7.165
  224    HA   ASN  34           HA       ASN  34  -5.137   4.548  -6.126
  225    HB2  ASN  34           HB2      ASN  34  -4.525   5.266  -9.005
  226    HB3  ASN  34           HB3      ASN  34  -4.721   3.635  -8.376
  227   HD21  ASN  34          1HD2      ASN  34  -6.889   4.313  -6.607
  228   HD22  ASN  34          2HD2      ASN  34  -8.280   4.532  -7.605
  229    H    ALA  35           H        ALA  35  -3.288   2.987  -7.133
  230    HA   ALA  35           HA       ALA  35  -1.202   3.487  -5.348
  231    HB1  ALA  35           HB1      ALA  35  -1.923   1.257  -5.986
  232    HB2  ALA  35           HB2      ALA  35  -1.295   1.511  -7.615
  233    HB3  ALA  35           HB3      ALA  35  -0.191   1.462  -6.243
  234    H    ASN  36           H        ASN  36  -1.463   4.327  -8.714
  235    HA   ASN  36           HA       ASN  36   1.379   4.566  -9.102
  236    HB2  ASN  36           HB2      ASN  36   0.745   5.584 -11.305
  237    HB3  ASN  36           HB3      ASN  36   0.123   3.961 -11.032
  238   HD21  ASN  36          1HD2      ASN  36  -0.768   6.092 -12.825
  239   HD22  ASN  36          2HD2      ASN  36  -2.436   6.351 -12.439
  240    H    ASN  37           H        ASN  37  -1.292   6.789  -8.495
  241    HA   ASN  37           HA       ASN  37   0.537   9.042  -8.644
  242    HB2  ASN  37           HB2      ASN  37  -1.432  10.406  -8.584
  243    HB3  ASN  37           HB3      ASN  37  -1.677   9.133  -9.757
  244   HD21  ASN  37          1HD2      ASN  37  -2.686  10.531  -6.797
  245   HD22  ASN  37          2HD2      ASN  37  -4.074   9.537  -6.548
  246    H    TRP  38           H        TRP  38   0.138   6.883  -6.438
  247    HA   TRP  38           HA       TRP  38  -0.859   7.902  -4.107
  248    HB2  TRP  38           HB2      TRP  38   1.032   5.823  -4.819
  249    HB3  TRP  38           HB3      TRP  38   1.429   6.589  -3.275
  250    HD1  TRP  38           HD1      TRP  38  -2.097   5.729  -4.652
  251    HE1  TRP  38           HE1      TRP  38  -3.213   4.214  -2.890
  252    HE3  TRP  38           HE3      TRP  38   1.799   5.264  -1.402
  253    HZ2  TRP  38           HZ2      TRP  38  -2.518   3.034  -0.361
  254    HZ3  TRP  38           HZ3      TRP  38   1.504   3.955   0.640
  255    HH2  TRP  38           HH2      TRP  38  -0.601   2.861   1.135
  256    H    ALA  39           H        ALA  39   2.613   7.994  -4.933
  257    HA   ALA  39           HA       ALA  39   3.465   9.401  -2.734
  258    HB1  ALA  39           HB1      ALA  39   5.434  10.040  -4.054
  259    HB2  ALA  39           HB2      ALA  39   5.000   8.348  -4.297
  260    HB3  ALA  39           HB3      ALA  39   4.599   9.548  -5.528
  261    H    ALA  40           H        ALA  40   2.244  10.704  -5.791
  262    HA   ALA  40           HA       ALA  40   2.753  13.430  -5.178
  263    HB1  ALA  40           HB1      ALA  40   0.797  12.245  -7.144
  264    HB2  ALA  40           HB2      ALA  40   1.339  13.922  -7.106
  265    HB3  ALA  40           HB3      ALA  40   2.487  12.633  -7.473
  266    H    ALA  41           H        ALA  41  -0.162  11.402  -4.937
  267    HA   ALA  41           HA       ALA  41  -1.823  13.530  -3.996
  268    HB1  ALA  41           HB1      ALA  41  -2.716  11.558  -5.170
  269    HB2  ALA  41           HB2      ALA  41  -2.271  10.548  -3.794
  270    HB3  ALA  41           HB3      ALA  41  -3.490  11.811  -3.608
  271    H    ALA  42           H        ALA  42  -0.042  10.912  -2.472
  272    HA   ALA  42           HA       ALA  42  -0.846  11.225   0.183
  273    HB1  ALA  42           HB1      ALA  42   1.379  10.224   0.714
  274    HB2  ALA  42           HB2      ALA  42   0.464   9.331  -0.502
  275    HB3  ALA  42           HB3      ALA  42   1.802  10.372  -0.990
  276    H    GLN  43           H        GLN  43   1.858  12.749  -1.580
  277    HA   GLN  43           HA       GLN  43   2.724  14.365   0.574
  278    HB2  GLN  43           HB2      GLN  43   3.098  14.626  -2.409
  279    HB3  GLN  43           HB3      GLN  43   3.854  15.706  -1.246
  280    HG2  GLN  43           HG2      GLN  43   5.062  13.870  -0.256
  281    HG3  GLN  43           HG3      GLN  43   4.227  12.720  -1.302
  282   HE21  GLN  43          1HE2      GLN  43   7.088  13.330  -0.983
  283   HE22  GLN  43          2HE2      GLN  43   7.650  13.714  -2.581
  284    H    GLY  44           H        GLY  44   0.232  14.756  -1.832
  285    HA2  GLY  44           HA1      GLY  44  -0.286  17.512  -1.426
  286    HA3  GLY  44           HA2      GLY  44  -1.431  16.329  -2.046
  287    H    ALA  45           H        ALA  45  -1.391  14.595   0.213
  288    HA   ALA  45           HA       ALA  45  -3.166  15.986   1.980
  289    HB1  ALA  45           HB1      ALA  45  -3.295  13.854   3.188
  290    HB2  ALA  45           HB2      ALA  45  -3.526  13.634   1.452
  291    HB3  ALA  45           HB3      ALA  45  -1.982  13.217   2.195
  292    H    GLY  46           H        GLY  46   0.207  15.177   1.939
  293    HA2  GLY  46           HA1      GLY  46   1.522  16.815   3.303
  294    HA3  GLY  46           HA2      GLY  46   0.478  16.349   4.635
  295    H    PHE  47           H        PHE  47   1.137  13.680   2.716
  296    HA   PHE  47           HA       PHE  47   2.650  12.442   4.790
  297    HB2  PHE  47           HB2      PHE  47   2.197  11.479   1.959
  298    HB3  PHE  47           HB3      PHE  47   2.796  10.508   3.290
  299    HD1  PHE  47           HD1      PHE  47   0.268  12.605   4.568
  300    HD2  PHE  47           HD2      PHE  47   0.855   9.115   2.206
  301    HE1  PHE  47           HE1      PHE  47  -2.049  11.903   5.020
  302    HE2  PHE  47           HE2      PHE  47  -1.454   8.401   2.648
  303    HZ   PHE  47           HZ       PHE  47  -2.910   9.812   4.052
  304    H    THR  48           H        THR  48   4.775  11.620   4.661
  305    HA   THR  48           HA       THR  48   6.532  13.001   2.735
  306    HB   THR  48           HB       THR  48   7.354  11.794   5.387
  307    HG1  THR  48           HG1      THR  48   5.882  13.604   5.624
  308   HG21  THR  48          3HG2      THR  48   9.346  13.226   5.077
  309   HG22  THR  48          1HG2      THR  48   8.734  13.699   3.491
  310   HG23  THR  48          2HG2      THR  48   9.179  12.019   3.801
  311    H    VAL  49           H        VAL  49   7.398  11.684   1.195
  312    HA   VAL  49           HA       VAL  49   6.828   8.840   1.525
  313    HB   VAL  49           HB       VAL  49   6.966   8.608  -0.828
  314   HG11  VAL  49          2HG1      VAL  49   4.922   9.649   0.031
  315   HG12  VAL  49          1HG1      VAL  49   5.298  10.189  -1.606
  316   HG13  VAL  49          3HG1      VAL  49   5.632  11.242  -0.231
  317   HG21  VAL  49          3HG2      VAL  49   8.961   9.909  -1.250
  318   HG22  VAL  49          2HG2      VAL  49   8.090  11.402  -0.902
  319   HG23  VAL  49          1HG2      VAL  49   7.657  10.436  -2.313
  320    H    ASN  50           H        ASN  50   8.316   7.308   0.442
  321    HA   ASN  50           HA       ASN  50  10.272   6.678  -0.626
  322    HB2  ASN  50           HB2      ASN  50  11.839   8.144  -1.121
  323    HB3  ASN  50           HB3      ASN  50  10.959   9.351  -0.192
  324   HD21  ASN  50          1HD2      ASN  50  11.437   8.700   2.392
  325   HD22  ASN  50          2HD2      ASN  50  13.133   8.586   2.746
  326    H    HIS  51           H        HIS  51   9.527   6.879   2.603
  327    HA   HIS  51           HA       HIS  51  11.938   6.562   3.903
  328    HB2  HIS  51           HB2      HIS  51   9.914   7.125   5.109
  329    HB3  HIS  51           HB3      HIS  51   9.244   5.531   4.779
  330    HD1  HIS  51           HD1      HIS  51   9.900   3.641   6.341
  331    HD2  HIS  51           HD2      HIS  51  12.091   7.106   7.013
  332    HE1  HIS  51           HE1      HIS  51  11.148   3.243   8.482
  333    HE2  HIS  51           HE2      HIS  51  12.624   5.268   8.756
  334    H    THR  52           H        THR  52  10.747   4.313   1.775
  335    HA   THR  52           HA       THR  52  11.200   2.120   1.381
  336    HB   THR  52           HB       THR  52  13.319   3.019   3.201
  337    HG1  THR  52           HG1      THR  52  13.072   1.658   0.741
  338   HG21  THR  52          3HG2      THR  52  14.240   0.735   3.597
  339   HG22  THR  52          1HG2      THR  52  12.733   0.043   2.996
  340   HG23  THR  52          2HG2      THR  52  12.732   1.019   4.465
  341    HA   PRO  53           HA       PRO  53   7.988   0.230   3.614
  342    HB2  PRO  53           HB2      PRO  53   9.444  -2.320   3.132
  343    HB3  PRO  53           HB3      PRO  53   7.766  -1.895   2.780
  344    HG2  PRO  53           HG2      PRO  53   9.564  -1.990   0.830
  345    HG3  PRO  53           HG3      PRO  53   8.332  -0.714   0.861
  346    HD2  PRO  53           HD2      PRO  53  11.229  -0.574   1.547
  347    HD3  PRO  53           HD3      PRO  53  10.196   0.638   0.762
  348    H    SER  54           H        SER  54   7.409  -0.626   5.578
  349    HA   SER  54           HA       SER  54   9.224  -1.867   7.379
  350    HB2  SER  54           HB2      SER  54   9.983   0.549   7.456
  351    HB3  SER  54           HB3      SER  54   8.388   0.963   8.082
  352    HG   SER  54           HG       SER  54  10.543  -0.141   9.352
  353    H    LYS  55           H        LYS  55   8.114  -2.142   9.557
  354    HA   LYS  55           HA       LYS  55   5.594  -3.271   9.127
  355    HB2  LYS  55           HB2      LYS  55   6.886  -4.137  10.901
  356    HB3  LYS  55           HB3      LYS  55   7.107  -2.552  11.625
  357    HG2  LYS  55           HG2      LYS  55   4.790  -2.501  12.318
  358    HG3  LYS  55           HG3      LYS  55   4.487  -4.034  11.496
  359    HD2  LYS  55           HD2      LYS  55   5.868  -5.223  13.012
  360    HD3  LYS  55           HD3      LYS  55   6.525  -3.732  13.690
  361    HE2  LYS  55           HE2      LYS  55   4.868  -4.795  15.173
  362    HE3  LYS  55           HE3      LYS  55   4.381  -3.181  14.659
  363    HZ1  LYS  55           HZ1      LYS  55   3.401  -5.724  13.464
  364    HZ2  LYS  55           HZ2      LYS  55   2.900  -4.157  13.043
  365    HZ3  LYS  55           HZ3      LYS  55   2.549  -4.770  14.580
  366    H    GLY  56           H        GLY  56   3.598  -2.508   9.113
  367    HA2  GLY  56           HA1      GLY  56   1.762  -1.232   9.710
  368    HA3  GLY  56           HA2      GLY  56   2.792  -0.315  10.799
  369    H    ALA  57           H        ALA  57   3.049  -0.859   7.312
  370    HA   ALA  57           HA       ALA  57   2.515   1.954   6.787
  371    HB1  ALA  57           HB1      ALA  57   4.642   2.251   5.591
  372    HB2  ALA  57           HB2      ALA  57   4.878   1.953   7.313
  373    HB3  ALA  57           HB3      ALA  57   5.158   0.659   6.149
  374    H    ILE  58           H        ILE  58   3.556   1.999   4.182
  375    HA   ILE  58           HA       ILE  58   2.277  -0.260   2.839
  376    HB   ILE  58           HB       ILE  58   1.780   2.482   1.744
  377   HG12  ILE  58          2HG1      ILE  58  -0.583   2.180   2.805
  378   HG13  ILE  58          3HG1      ILE  58   0.246   1.157   3.968
  379   HG21  ILE  58          2HG2      ILE  58   0.336  -0.155   1.538
  380   HG22  ILE  58          1HG2      ILE  58   1.401   0.562   0.327
  381   HG23  ILE  58          3HG2      ILE  58  -0.133   1.336   0.720
  382   HD11  ILE  58          3HD1      ILE  58   0.887   4.044   3.406
  383   HD12  ILE  58          2HD1      ILE  58   1.667   3.020   4.612
  384   HD13  ILE  58          1HD1      ILE  58  -0.038   3.439   4.781
  385    H    LEU  59           H        LEU  59   2.886  -0.534   0.677
  386    HA   LEU  59           HA       LEU  59   5.553   0.424  -0.014
  387    HB2  LEU  59           HB2      LEU  59   4.578  -1.997  -0.193
  388    HB3  LEU  59           HB3      LEU  59   3.775  -1.402  -1.628
  389    HG   LEU  59           HG       LEU  59   6.242  -0.702  -2.289
  390   HD11  LEU  59          2HD1      LEU  59   7.855  -2.359  -1.518
  391   HD12  LEU  59          1HD1      LEU  59   6.638  -3.051  -0.445
  392   HD13  LEU  59          3HD1      LEU  59   7.220  -1.410  -0.175
  393   HD21  LEU  59          3HD2      LEU  59   4.801  -2.163  -3.589
  394   HD22  LEU  59          2HD2      LEU  59   5.127  -3.500  -2.484
  395   HD23  LEU  59          1HD2      LEU  59   6.424  -2.846  -3.484
  396    H    GLN  60           H        GLN  60   5.914   1.259  -2.266
  397    HA   GLN  60           HA       GLN  60   3.662   1.994  -3.855
  398    HB2  GLN  60           HB2      GLN  60   3.768   3.747  -1.984
  399    HB3  GLN  60           HB3      GLN  60   5.230   4.327  -2.767
  400    HG2  GLN  60           HG2      GLN  60   2.645   4.059  -4.261
  401    HG3  GLN  60           HG3      GLN  60   3.009   5.482  -3.296
  402   HE21  GLN  60          1HE2      GLN  60   2.586   5.145  -6.186
  403   HE22  GLN  60          2HE2      GLN  60   4.000   5.801  -6.944
  404    H    SER  61           H        SER  61   4.173   2.255  -5.873
  405    HA   SER  61           HA       SER  61   6.729   3.243  -6.744
  406    HB2  SER  61           HB2      SER  61   7.400   0.955  -6.565
  407    HB3  SER  61           HB3      SER  61   5.878   0.381  -7.247
  408    HG   SER  61           HG       SER  61   8.142   0.970  -8.522
  409    H    SER  62           H        SER  62   6.529   4.236  -8.717
  410    HA   SER  62           HA       SER  62   3.819   4.280  -9.824
  411    HB2  SER  62           HB2      SER  62   6.169   6.083 -10.459
  412    HB3  SER  62           HB3      SER  62   4.484   6.344 -10.916
  413    HG   SER  62           HG       SER  62   5.715   6.557  -8.387
  414    H    GLU  63           H        GLU  63   6.292   2.370 -10.214
  415    HA   GLU  63           HA       GLU  63   6.777   2.493 -13.048
  416    HB2  GLU  63           HB2      GLU  63   7.462   0.266 -11.130
  417    HB3  GLU  63           HB3      GLU  63   8.213   0.602 -12.684
  418    HG2  GLU  63           HG2      GLU  63   9.210   2.609 -11.833
  419    HG3  GLU  63           HG3      GLU  63   8.335   2.448 -10.310
  420    H    GLY  64           H        GLY  64   4.164   2.333 -13.052
  421    HA2  GLY  64           HA1      GLY  64   3.571  -0.075 -14.394
  422    HA3  GLY  64           HA2      GLY  64   2.928  -0.160 -12.759
  423    HA   PRO  65           HA       PRO  65   0.089   2.126 -15.851
  424    HB2  PRO  65           HB2      PRO  65  -1.966   0.302 -15.712
  425    HB3  PRO  65           HB3      PRO  65  -0.726   0.309 -16.971
  426    HG2  PRO  65           HG2      PRO  65  -0.919  -1.364 -14.502
  427    HG3  PRO  65           HG3      PRO  65  -0.398  -1.827 -16.135
  428    HD2  PRO  65           HD2      PRO  65   1.356  -1.366 -14.142
  429    HD3  PRO  65           HD3      PRO  65   1.727  -0.970 -15.834
  430    H    PHE  66           H        PHE  66  -0.684   0.248 -12.942
  431    HA   PHE  66           HA       PHE  66  -2.333   2.508 -12.031
  432    HB2  PHE  66           HB2      PHE  66  -2.673  -0.444 -11.509
  433    HB3  PHE  66           HB3      PHE  66  -3.543   0.804 -10.624
  434    HD1  PHE  66           HD2      PHE  66  -5.075   2.339 -11.877
  435    HD2  PHE  66           HD1      PHE  66  -3.400  -1.162 -13.629
  436    HE1  PHE  66           HE2      PHE  66  -6.797   2.397 -13.637
  437    HE2  PHE  66           HE1      PHE  66  -5.115  -1.109 -15.391
  438    HZ   PHE  66           HZ       PHE  66  -6.817   0.676 -15.395
  439    H    GLY  67           H        GLY  67   0.602   1.650 -11.687
  440    HA2  GLY  67           HA1      GLY  67   2.137   2.177 -10.041
  441    HA3  GLY  67           HA2      GLY  67   0.798   2.563  -8.972
  442    H    HIS  68           H        HIS  68   2.343   1.506  -7.429
  443    HA   HIS  68           HA       HIS  68   1.674  -1.344  -7.185
  444    HB2  HIS  68           HB2      HIS  68   4.493  -0.235  -6.954
  445    HB3  HIS  68           HB3      HIS  68   4.011  -1.850  -6.459
  446    HD1  HIS  68           HD1      HIS  68   4.161  -3.653  -8.186
  447    HD2  HIS  68           HD2      HIS  68   4.335   0.159  -9.839
  448    HE1  HIS  68           HE1      HIS  68   4.742  -3.991 -10.602
  449    HE2  HIS  68           HE2      HIS  68   5.050  -1.668 -11.526
  450    H    VAL  69           H        VAL  69   0.239  -0.407  -5.411
  451    HA   VAL  69           HA       VAL  69   1.953   0.032  -3.070
  452    HB   VAL  69           HB       VAL  69   0.217   1.245  -1.981
  453   HG11  VAL  69          2HG1      VAL  69   0.606   2.167  -4.816
  454   HG12  VAL  69          1HG1      VAL  69   1.664   2.491  -3.442
  455   HG13  VAL  69          3HG1      VAL  69   0.039   3.176  -3.485
  456   HG21  VAL  69          3HG2      VAL  69  -1.729   0.017  -2.818
  457   HG22  VAL  69          2HG2      VAL  69  -1.509   0.749  -4.408
  458   HG23  VAL  69          1HG2      VAL  69  -1.928   1.758  -3.022
  459    H    ALA  70           H        ALA  70   1.946  -1.351  -1.534
  460    HA   ALA  70           HA       ALA  70  -0.344  -3.113  -1.105
  461    HB1  ALA  70           HB1      ALA  70   2.519  -4.061  -1.264
  462    HB2  ALA  70           HB2      ALA  70   1.121  -5.049  -0.843
  463    HB3  ALA  70           HB3      ALA  70   1.269  -4.377  -2.467
  464    H    TYR  71           H        TYR  71  -0.709  -3.470   1.048
  465    HA   TYR  71           HA       TYR  71   0.504  -1.576   2.790
  466    HB2  TYR  71           HB2      TYR  71  -1.795  -1.961   3.121
  467    HB3  TYR  71           HB3      TYR  71  -1.586  -3.713   3.146
  468    HD1  TYR  71           HD1      TYR  71  -1.234  -0.618   5.086
  469    HD2  TYR  71           HD2      TYR  71  -0.886  -4.859   5.135
  470    HE1  TYR  71           HE1      TYR  71  -1.098  -0.568   7.543
  471    HE2  TYR  71           HE2      TYR  71  -0.748  -4.819   7.588
  472    HH   TYR  71           HH       TYR  71  -0.163  -3.294   9.376
  473    H    VAL  72           H        VAL  72   2.182  -1.804   4.070
  474    HA   VAL  72           HA       VAL  72   3.628  -4.322   4.012
  475    HB   VAL  72           HB       VAL  72   4.441  -1.703   5.280
  476   HG11  VAL  72          2HG1      VAL  72   6.719  -2.656   5.116
  477   HG12  VAL  72          1HG1      VAL  72   6.008  -4.178   4.576
  478   HG13  VAL  72          3HG1      VAL  72   5.656  -3.564   6.194
  479   HG21  VAL  72          3HG2      VAL  72   5.811  -1.345   3.276
  480   HG22  VAL  72          2HG2      VAL  72   4.088  -1.394   2.893
  481   HG23  VAL  72          1HG2      VAL  72   5.110  -2.792   2.546
  482    H    GLU  73           H        GLU  73   3.271  -5.776   5.511
  483    HA   GLU  73           HA       GLU  73   2.052  -5.121   8.022
  484    HB2  GLU  73           HB2      GLU  73   3.099  -7.681   6.818
  485    HB3  GLU  73           HB3      GLU  73   2.473  -7.605   8.461
  486    HG2  GLU  73           HG2      GLU  73   0.829  -6.594   6.180
  487    HG3  GLU  73           HG3      GLU  73   0.910  -8.321   6.523
  488    H    SER  74           H        SER  74   5.266  -6.168   6.938
  489    HA   SER  74           HA       SER  74   6.621  -4.891   9.075
  490    HB2  SER  74           HB2      SER  74   6.295  -7.896   9.262
  491    HB3  SER  74           HB3      SER  74   7.548  -7.002  10.118
  492    HG   SER  74           HG       SER  74   4.966  -6.044  10.421
  493    H    VAL  75           H        VAL  75   8.869  -4.898   8.772
  494    HA   VAL  75           HA       VAL  75   9.841  -6.272   6.375
  495    HB   VAL  75           HB       VAL  75  10.484  -3.933   6.488
  496   HG11  VAL  75          2HG1      VAL  75  11.816  -4.575   9.113
  497   HG12  VAL  75          1HG1      VAL  75  10.357  -3.607   8.900
  498   HG13  VAL  75          3HG1      VAL  75  11.897  -3.035   8.256
  499   HG21  VAL  75          3HG2      VAL  75  12.928  -4.142   6.327
  500   HG22  VAL  75          2HG2      VAL  75  12.086  -5.437   5.474
  501   HG23  VAL  75          1HG2      VAL  75  12.824  -5.750   7.046
  502    H    ASN  76           H        ASN  76  11.211  -7.987   6.496
  503    HA   ASN  76           HA       ASN  76  11.304  -9.280   9.067
  504    HB2  ASN  76           HB2      ASN  76  12.376 -10.227   6.404
  505    HB3  ASN  76           HB3      ASN  76  12.181 -11.210   7.851
  506   HD21  ASN  76          1HD2      ASN  76  10.625  -9.742   5.159
  507   HD22  ASN  76          2HD2      ASN  76   9.062 -10.463   5.392
  508    H    SER  77           H        SER  77  13.299 -10.306   9.867
  509    HA   SER  77           HA       SER  77  15.408  -8.370  10.003
  510    HB2  SER  77           HB2      SER  77  14.698  -9.831  11.924
  511    HB3  SER  77           HB3      SER  77  15.391 -11.209  11.070
  512    HG   SER  77           HG       SER  77  17.374 -10.493  11.456
  513    H    ASP  78           H        ASP  78  14.600 -10.861   7.925
  514    HA   ASP  78           HA       ASP  78  17.153 -11.769   7.104
  515    HB2  ASP  78           HB2      ASP  78  14.534 -11.682   5.591
  516    HB3  ASP  78           HB3      ASP  78  15.960 -12.583   5.091
  517    H    GLY  79           H        GLY  79  15.417  -8.866   6.565
  518    HA2  GLY  79           HA1      GLY  79  16.501  -6.969   5.557
  519    HA3  GLY  79           HA2      GLY  79  17.357  -8.079   4.492
  520    H    SER  80           H        SER  80  14.413  -9.340   4.599
  521    HA   SER  80           HA       SER  80  13.541  -7.879   2.216
  522    HB2  SER  80           HB2      SER  80  12.152  -9.993   1.856
  523    HB3  SER  80           HB3      SER  80  13.900 -10.160   1.684
  524    HG   SER  80           HG       SER  80  13.454 -11.789   3.004
  525    H    VAL  81           H        VAL  81  11.309  -7.407   1.955
  526    HA   VAL  81           HA       VAL  81   9.979  -6.933   4.535
  527    HB   VAL  81           HB       VAL  81   9.530  -5.544   1.891
  528   HG11  VAL  81          2HG1      VAL  81   8.534  -4.910   4.666
  529   HG12  VAL  81          1HG1      VAL  81   7.564  -5.505   3.318
  530   HG13  VAL  81          3HG1      VAL  81   8.297  -3.902   3.239
  531   HG21  VAL  81          3HG2      VAL  81  11.103  -4.693   4.316
  532   HG22  VAL  81          2HG2      VAL  81  10.696  -3.639   2.961
  533   HG23  VAL  81          1HG2      VAL  81  11.739  -5.039   2.708
  534    H    THR  82           H        THR  82   7.990  -7.719   4.945
  535    HA   THR  82           HA       THR  82   6.704  -9.344   2.872
  536    HB   THR  82           HB       THR  82   6.193  -9.250   5.857
  537    HG1  THR  82           HG1      THR  82   7.150 -11.406   5.702
  538   HG21  THR  82          3HG2      THR  82   5.091 -11.087   3.724
  539   HG22  THR  82          1HG2      THR  82   4.182  -9.882   4.633
  540   HG23  THR  82          2HG2      THR  82   4.857 -11.287   5.460
  541    H    ILE  83           H        ILE  83   5.289  -8.230   1.702
  542    HA   ILE  83           HA       ILE  83   3.613  -6.215   3.034
  543    HB   ILE  83           HB       ILE  83   3.072  -5.378   0.792
  544   HG12  ILE  83          2HG1      ILE  83   5.090  -7.406  -0.196
  545   HG13  ILE  83          3HG1      ILE  83   3.348  -7.531  -0.412
  546   HG21  ILE  83          2HG2      ILE  83   6.031  -5.605   1.314
  547   HG22  ILE  83          1HG2      ILE  83   4.940  -4.393   1.986
  548   HG23  ILE  83          3HG2      ILE  83   5.264  -4.424   0.253
  549   HD11  ILE  83          3HD1      ILE  83   5.150  -5.415  -1.563
  550   HD12  ILE  83          2HD1      ILE  83   3.395  -5.453  -1.729
  551   HD13  ILE  83          1HD1      ILE  83   4.375  -6.738  -2.434
  552    H    SER  84           H        SER  84   1.363  -6.190   2.630
  553    HA   SER  84           HA       SER  84   0.281  -8.715   1.583
  554    HB2  SER  84           HB2      SER  84   0.052  -8.477   4.073
  555    HB3  SER  84           HB3      SER  84  -0.941  -7.047   3.796
  556    HG   SER  84           HG       SER  84  -2.398  -8.648   3.927
  557    H    GLU  85           H        GLU  85  -0.874  -8.439  -0.163
  558    HA   GLU  85           HA       GLU  85  -2.350  -5.934  -0.551
  559    HB2  GLU  85           HB2      GLU  85  -1.694  -6.035  -2.994
  560    HB3  GLU  85           HB3      GLU  85  -0.407  -5.592  -1.880
  561    HG2  GLU  85           HG2      GLU  85   0.537  -7.789  -2.003
  562    HG3  GLU  85           HG3      GLU  85  -0.824  -8.368  -2.962
  563    H    MET  86           H        MET  86  -4.415  -6.422  -0.772
  564    HA   MET  86           HA       MET  86  -5.239  -9.047  -1.613
  565    HB2  MET  86           HB2      MET  86  -6.407  -7.783   0.203
  566    HB3  MET  86           HB3      MET  86  -6.953  -6.635  -1.011
  567    HG2  MET  86           HG2      MET  86  -8.231  -8.304  -2.131
  568    HG3  MET  86           HG3      MET  86  -7.565  -9.571  -1.103
  569    HE1  MET  86           HE1      MET  86  -9.249  -8.956   2.314
  570    HE2  MET  86           HE2      MET  86  -8.257 -10.035   1.334
  571    HE3  MET  86           HE3      MET  86  -7.641  -8.448   1.799
  572    H    ASN  87           H        ASN  87  -5.305  -9.571  -3.649
  573    HA   ASN  87           HA       ASN  87  -5.994  -9.659  -5.801
  574    HB2  ASN  87           HB2      ASN  87  -8.108  -8.700  -5.257
  575    HB3  ASN  87           HB3      ASN  87  -7.415  -7.092  -5.099
  576   HD21  ASN  87          1HD2      ASN  87  -8.823  -6.222  -6.587
  577   HD22  ASN  87          2HD2      ASN  87  -8.721  -6.545  -8.287
  578    H    TYR  88           H        TYR  88  -5.467  -6.159  -5.354
  579    HA   TYR  88           HA       TYR  88  -4.287  -4.677  -6.605
  580    HB2  TYR  88           HB2      TYR  88  -2.451  -5.480  -5.298
  581    HB3  TYR  88           HB3      TYR  88  -2.268  -6.909  -6.307
  582    HD1  TYR  88           HD1      TYR  88  -2.561  -3.272  -7.163
  583    HD2  TYR  88           HD2      TYR  88  -0.206  -6.812  -7.327
  584    HE1  TYR  88           HE1      TYR  88  -0.906  -2.101  -8.552
  585    HE2  TYR  88           HE2      TYR  88   1.455  -5.650  -8.714
  586    HH   TYR  88           HH       TYR  88   1.245  -2.203  -9.331
  587    H    SER  89           H        SER  89  -5.994  -5.300  -8.273
  588    HA   SER  89           HA       SER  89  -6.530  -5.362 -10.478
  589    HB2  SER  89           HB2      SER  89  -4.729  -3.653 -10.555
  590    HB3  SER  89           HB3      SER  89  -3.559  -4.928 -10.885
  591    HG   SER  89           HG       SER  89  -4.946  -5.416 -12.762
  592    H    GLY  90           H        GLY  90  -5.968  -7.900  -9.202
  593    HA2  GLY  90           HA1      GLY  90  -5.237  -9.427 -11.606
  594    HA3  GLY  90           HA2      GLY  90  -4.480  -9.814 -10.068
  595    H    GLY  91           H        GLY  91  -5.430 -11.266  -8.805
  596    HA2  GLY  91           HA1      GLY  91  -7.998 -12.343  -9.684
  597    HA3  GLY  91           HA2      GLY  91  -6.894 -13.084  -8.534
  598    HA   PRO  92           HA       PRO  92 -10.464 -10.158  -6.739
  599    HB2  PRO  92           HB2      PRO  92 -11.987 -12.719  -6.656
  600    HB3  PRO  92           HB3      PRO  92 -12.565 -11.072  -6.933
  601    HG2  PRO  92           HG2      PRO  92 -12.337 -12.778  -8.957
  602    HG3  PRO  92           HG3      PRO  92 -11.901 -11.069  -9.154
  603    HD2  PRO  92           HD2      PRO  92 -10.130 -13.456  -8.846
  604    HD3  PRO  92           HD3      PRO  92  -9.900 -11.998  -9.832
  605    H    PHE  93           H        PHE  93  -9.775  -9.844  -4.764
  606    HA   PHE  93           HA       PHE  93  -9.328 -10.091  -2.574
  607    HB2  PHE  93           HB2      PHE  93 -11.074 -12.512  -2.947
  608    HB3  PHE  93           HB3      PHE  93 -10.414 -12.039  -1.382
  609    HD1  PHE  93           HD1      PHE  93 -12.689 -11.037  -4.106
  610    HD2  PHE  93           HD2      PHE  93 -11.334 -10.233  -0.154
  611    HE1  PHE  93           HE1      PHE  93 -14.585  -9.505  -3.770
  612    HE2  PHE  93           HE2      PHE  93 -13.226  -8.700   0.189
  613    HZ   PHE  93           HZ       PHE  93 -14.855  -8.334  -1.623
  614    H    SER  94           H        SER  94  -7.498 -11.460  -4.609
  615    HA   SER  94           HA       SER  94  -6.294 -13.525  -3.036
  616    HB2  SER  94           HB2      SER  94  -4.251 -13.083  -4.501
  617    HB3  SER  94           HB3      SER  94  -5.725 -13.579  -5.355
  618    HG   SER  94           HG       SER  94  -4.875 -11.821  -6.437
  619    H    VAL  95           H        VAL  95  -6.323 -12.425  -0.955
  620    HA   VAL  95           HA       VAL  95  -4.646 -10.211  -0.476
  621    HB   VAL  95           HB       VAL  95  -6.222 -10.763   1.223
  622   HG11  VAL  95          2HG1      VAL  95  -6.107 -12.829   2.543
  623   HG12  VAL  95          1HG1      VAL  95  -4.843 -13.426   1.466
  624   HG13  VAL  95          3HG1      VAL  95  -6.466 -13.127   0.844
  625   HG21  VAL  95          3HG2      VAL  95  -4.220  -9.740   2.064
  626   HG22  VAL  95          2HG2      VAL  95  -3.417 -11.307   2.180
  627   HG23  VAL  95          1HG2      VAL  95  -4.780 -10.935   3.235
  628    H    SER  96           H        SER  96  -2.800 -10.493  -1.623
  629    HA   SER  96           HA       SER  96  -1.293 -12.958  -1.331
  630    HB2  SER  96           HB2      SER  96  -0.841 -10.605  -3.185
  631    HB3  SER  96           HB3      SER  96  -0.039 -12.174  -3.275
  632    HG   SER  96           HG       SER  96  -2.784 -11.590  -3.705
  633    H    SER  97           H        SER  97   1.087 -12.735  -1.273
  634    HA   SER  97           HA       SER  97   1.997 -10.475   0.343
  635    HB2  SER  97           HB2      SER  97   2.339 -13.367   1.163
  636    HB3  SER  97           HB3      SER  97   3.069 -11.984   1.979
  637    HG   SER  97           HG       SER  97   0.624 -11.311   1.919
  638    H    ARG  98           H        ARG  98   3.497  -9.670  -0.934
  639    HA   ARG  98           HA       ARG  98   5.353 -11.460  -2.320
  640    HB2  ARG  98           HB2      ARG  98   4.169  -9.610  -3.554
  641    HB3  ARG  98           HB3      ARG  98   5.070  -8.460  -2.578
  642    HG2  ARG  98           HG2      ARG  98   7.166  -9.345  -3.492
  643    HG3  ARG  98           HG3      ARG  98   6.238 -10.469  -4.489
  644    HD2  ARG  98           HD2      ARG  98   6.016  -7.459  -4.607
  645    HD3  ARG  98           HD3      ARG  98   6.963  -8.443  -5.723
  646    HE   ARG  98           HE       ARG  98   4.953  -9.306  -6.633
  647   HH11  ARG  98          2HH1      ARG  98   4.437  -6.786  -4.263
  648   HH12  ARG  98          1HH1      ARG  98   2.765  -6.539  -4.681
  649   HH21  ARG  98          2HH2      ARG  98   2.783  -8.938  -7.251
  650   HH22  ARG  98          1HH2      ARG  98   1.830  -7.758  -6.388
  651    H    THR  99           H        THR  99   7.613 -11.272  -2.031
  652    HA   THR  99           HA       THR  99   8.341 -10.013   0.527
  653    HB   THR  99           HB       THR  99   9.812 -12.255  -0.870
  654    HG1  THR  99           HG1      THR  99   7.434 -12.349   0.305
  655   HG21  THR  99          3HG2      THR  99   9.853 -11.271   1.990
  656   HG22  THR  99          1HG2      THR  99  11.108 -10.977   0.785
  657   HG23  THR  99          2HG2      THR  99  10.791 -12.618   1.346
  658    H    ILE 100           H        ILE 100   9.300  -8.116   0.179
  659    HA   ILE 100           HA       ILE 100  10.767  -7.656  -2.296
  660    HB   ILE 100           HB       ILE 100   9.964  -5.771  -0.076
  661   HG12  ILE 100          2HG1      ILE 100   8.715  -4.719  -2.084
  662   HG13  ILE 100          3HG1      ILE 100   8.958  -6.284  -2.859
  663   HG21  ILE 100          2HG2      ILE 100  11.438  -5.143  -2.623
  664   HG22  ILE 100          1HG2      ILE 100  12.097  -5.068  -0.990
  665   HG23  ILE 100          3HG2      ILE 100  10.814  -3.959  -1.474
  666   HD11  ILE 100          3HD1      ILE 100   6.780  -6.141  -1.826
  667   HD12  ILE 100          2HD1      ILE 100   7.525  -5.803  -0.266
  668   HD13  ILE 100          1HD1      ILE 100   7.769  -7.370  -1.038
  669    H    SER 101           H        SER 101  12.838  -8.206  -2.326
  670    HA   SER 101           HA       SER 101  14.498  -8.371  -0.027
  671    HB2  SER 101           HB2      SER 101  15.258  -8.157  -2.951
  672    HB3  SER 101           HB3      SER 101  16.332  -8.658  -1.648
  673    HG   SER 101           HG       SER 101  15.037 -10.474  -1.317
  674    H    ALA 102           H        ALA 102  16.399  -7.028   0.389
  675    HA   ALA 102           HA       ALA 102  15.716  -4.409   0.897
  676    HB1  ALA 102           HB1      ALA 102  18.509  -5.495   0.619
  677    HB2  ALA 102           HB2      ALA 102  18.025  -4.055   1.514
  678    HB3  ALA 102           HB3      ALA 102  17.485  -5.646   2.047
  679    H    SER 103           H        SER 103  17.495  -5.659  -1.899
  680    HA   SER 103           HA       SER 103  18.373  -3.230  -2.962
  681    HB2  SER 103           HB2      SER 103  19.003  -5.564  -3.728
  682    HB3  SER 103           HB3      SER 103  17.470  -5.609  -4.596
  683    HG   SER 103           HG       SER 103  19.810  -4.299  -5.200
  684    H    GLU 104           H        GLU 104  15.268  -4.892  -3.299
  685    HA   GLU 104           HA       GLU 104  14.242  -2.824  -5.054
  686    HB2  GLU 104           HB2      GLU 104  12.881  -5.231  -3.827
  687    HB3  GLU 104           HB3      GLU 104  12.116  -4.118  -4.948
  688    HG2  GLU 104           HG2      GLU 104  12.727  -5.941  -6.257
  689    HG3  GLU 104           HG3      GLU 104  13.971  -4.737  -6.575
  690    H    ALA 105           H        ALA 105  14.311  -3.592  -1.699
  691    HA   ALA 105           HA       ALA 105  12.050  -2.173  -0.819
  692    HB1  ALA 105           HB1      ALA 105  14.651  -2.588   0.658
  693    HB2  ALA 105           HB2      ALA 105  13.098  -2.151   1.370
  694    HB3  ALA 105           HB3      ALA 105  13.306  -3.729   0.612
  695    H    GLY 106           H        GLY 106  15.325  -1.178  -1.607
  696    HA2  GLY 106           HA1      GLY 106  14.842   1.582  -0.856
  697    HA3  GLY 106           HA2      GLY 106  16.276   0.948  -1.652
  698    H    ASN 107           H        ASN 107  13.153   0.220  -2.947
  699    HA   ASN 107           HA       ASN 107  13.517   2.256  -5.049
  700    HB2  ASN 107           HB2      ASN 107  14.006   0.075  -5.984
  701    HB3  ASN 107           HB3      ASN 107  12.526  -0.595  -5.308
  702   HD21  ASN 107          1HD2      ASN 107  10.616  -0.332  -6.396
  703   HD22  ASN 107          2HD2      ASN 107  10.498   0.402  -7.964
  704    H    TYR 108           H        TYR 108  11.501   0.950  -2.651
  705    HA   TYR 108           HA       TYR 108   9.074   1.973  -3.932
  706    HB2  TYR 108           HB2      TYR 108   9.430   0.094  -1.594
  707    HB3  TYR 108           HB3      TYR 108   7.872   0.664  -2.185
  708    HD1  TYR 108           HD1      TYR 108   7.663   0.351  -4.881
  709    HD2  TYR 108           HD2      TYR 108  10.036  -2.023  -2.273
  710    HE1  TYR 108           HE1      TYR 108   7.586  -1.494  -6.501
  711    HE2  TYR 108           HE2      TYR 108   9.966  -3.877  -3.886
  712    HH   TYR 108           HH       TYR 108   8.657  -4.661  -5.734
  713    H    ASN 109           H        ASN 109   7.734   3.436  -2.959
  714    HA   ASN 109           HA       ASN 109   9.084   5.171  -1.041
  715    HB2  ASN 109           HB2      ASN 109   6.625   5.611  -2.750
  716    HB3  ASN 109           HB3      ASN 109   7.318   6.820  -1.674
  717   HD21  ASN 109          1HD2      ASN 109   9.199   7.849  -2.246
  718   HD22  ASN 109          2HD2      ASN 109   9.881   7.754  -3.833
  719    H    TYR 110           H        TYR 110   8.690   4.900   1.032
  720    HA   TYR 110           HA       TYR 110   6.146   3.877   2.029
  721    HB2  TYR 110           HB2      TYR 110   8.195   3.139   3.112
  722    HB3  TYR 110           HB3      TYR 110   8.761   4.785   3.290
  723    HD1  TYR 110           HD2      TYR 110   6.497   6.126   4.629
  724    HD2  TYR 110           HD1      TYR 110   8.088   2.225   5.203
  725    HE1  TYR 110           HE2      TYR 110   5.739   6.172   6.963
  726    HE2  TYR 110           HE1      TYR 110   7.354   2.270   7.548
  727    HH   TYR 110           HH       TYR 110   5.161   4.488   8.751
  728    H    ILE 111           H        ILE 111   4.469   5.301   2.372
  729    HA   ILE 111           HA       ILE 111   5.155   8.132   2.394
  730    HB   ILE 111           HB       ILE 111   2.697   8.531   2.186
  731   HG12  ILE 111          2HG1      ILE 111   2.544   5.569   1.637
  732   HG13  ILE 111          3HG1      ILE 111   2.021   6.294   3.150
  733   HG21  ILE 111          2HG2      ILE 111   4.157   8.549   0.251
  734   HG22  ILE 111          1HG2      ILE 111   2.597   7.844  -0.173
  735   HG23  ILE 111          3HG2      ILE 111   3.996   6.800   0.086
  736   HD11  ILE 111          3HD1      ILE 111   0.386   7.651   1.884
  737   HD12  ILE 111          2HD1      ILE 111   0.119   5.915   1.708
  738   HD13  ILE 111          1HD1      ILE 111   0.889   6.825   0.403
  739    H    HIS 112           H        HIS 112   5.600   8.983   4.218
  740    HA   HIS 112           HA       HIS 112   4.891   7.987   6.768
  741    HB2  HIS 112           HB2      HIS 112   5.988  10.610   5.795
  742    HB3  HIS 112           HB3      HIS 112   5.556  10.389   7.484
  743    HD1  HIS 112           HD1      HIS 112   7.225   9.328   8.951
  744    HD2  HIS 112           HD2      HIS 112   8.148   8.810   4.920
  745    HE1  HIS 112           HE1      HIS 112   9.581   8.464   8.901
  746    HE2  HIS 112           HE2      HIS 112  10.213   8.512   6.468
  747    H    ILE 113           H        ILE 113   3.757   9.432   8.415
  748    HA   ILE 113           HA       ILE 113   1.251  10.430   7.233
  749    HB   ILE 113           HB       ILE 113   1.666   9.429  10.059
  750   HG12  ILE 113          2HG1      ILE 113   0.348   8.004   7.730
  751   HG13  ILE 113          3HG1      ILE 113   1.961   7.640   8.335
  752   HG21  ILE 113          2HG2      ILE 113  -0.816  10.125   8.489
  753   HG22  ILE 113          1HG2      ILE 113  -0.167  10.995   9.880
  754   HG23  ILE 113          3HG2      ILE 113  -0.817   9.366  10.081
  755   HD11  ILE 113          3HD1      ILE 113   0.288   6.061   9.145
  756   HD12  ILE 113          2HD1      ILE 113  -0.589   7.385   9.910
  757   HD13  ILE 113          1HD1      ILE 113   1.030   6.960  10.467
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1 -15.470  -8.966   4.634
    2    H2   GLY   1           H2       GLY   1 -14.911  -8.541   6.174
    3    H3   GLY   1           H3       GLY   1 -16.525  -8.246   5.744
    4    HA2  GLY   1           HA2      GLY   1 -16.877 -10.662   5.521
    5    HA3  GLY   1           HA1      GLY   1 -15.241 -10.889   6.126
    6    H    SER   2           H        SER   2 -17.665 -11.857   7.292
    7    HA   SER   2           HA       SER   2 -18.789 -12.015   9.241
    8    HB2  SER   2           HB2      SER   2 -16.493 -12.411  10.060
    9    HB3  SER   2           HB3      SER   2 -16.321 -10.686  10.380
   10    HG   SER   2           HG       SER   2 -18.554 -11.875  11.510
   11    H    SER   3           H        SER   3 -17.316  -9.228  10.688
   12    HA   SER   3           HA       SER   3 -19.938  -7.940  10.712
   13    HB2  SER   3           HB2      SER   3 -17.455  -7.163  12.253
   14    HB3  SER   3           HB3      SER   3 -19.121  -6.676  12.582
   15    HG   SER   3           HG       SER   3 -19.412  -9.133  12.722
   16    H    ILE   4           H        ILE   4 -16.905  -7.720   9.188
   17    HA   ILE   4           HA       ILE   4 -16.862  -4.888   8.783
   18    HB   ILE   4           HB       ILE   4 -15.350  -7.036   7.285
   19   HG12  ILE   4          2HG1      ILE   4 -14.864  -7.101   9.681
   20   HG13  ILE   4          3HG1      ILE   4 -13.480  -6.474   8.791
   21   HG21  ILE   4          2HG2      ILE   4 -15.426  -4.946   6.051
   22   HG22  ILE   4          1HG2      ILE   4 -13.805  -5.216   6.693
   23   HG23  ILE   4          3HG2      ILE   4 -14.885  -4.063   7.477
   24   HD11  ILE   4          3HD1      ILE   4 -15.477  -4.851  10.350
   25   HD12  ILE   4          2HD1      ILE   4 -14.119  -4.200   9.433
   26   HD13  ILE   4          1HD1      ILE   4 -13.823  -5.230  10.832
   27    H    SER   5           H        SER   5 -18.801  -4.328   7.920
   28    HA   SER   5           HA       SER   5 -18.941  -4.609   5.035
   29    HB2  SER   5           HB2      SER   5 -21.311  -5.286   6.807
   30    HB3  SER   5           HB3      SER   5 -21.341  -5.177   5.046
   31    HG   SER   5           HG       SER   5 -19.350  -6.808   5.772
   32    H    HIS   6           H        HIS   6 -20.603  -3.315   7.906
   33    HA   HIS   6           HA       HIS   6 -21.201  -0.805   6.657
   34    HB2  HIS   6           HB2      HIS   6 -21.912  -0.070   8.883
   35    HB3  HIS   6           HB3      HIS   6 -22.573  -1.657   8.520
   36    HD1  HIS   6           HD1      HIS   6 -20.766   0.172  11.074
   37    HD2  HIS   6           HD2      HIS   6 -21.092  -3.810   9.898
   38    HE1  HIS   6           HE1      HIS   6 -19.940  -1.188  13.026
   39    HE2  HIS   6           HE2      HIS   6 -20.352  -3.589  12.369
   40    H    SER   7           H        SER   7 -18.371  -2.012   7.138
   41    HA   SER   7           HA       SER   7 -17.088   0.342   8.326
   42    HB2  SER   7           HB2      SER   7 -15.781  -2.300   7.653
   43    HB3  SER   7           HB3      SER   7 -15.228  -1.071   8.793
   44    HG   SER   7           HG       SER   7 -16.618  -1.761  10.265
   45    H    GLY   8           H        GLY   8 -18.226   0.296   5.662
   46    HA2  GLY   8           HA1      GLY   8 -16.342  -0.299   3.659
   47    HA3  GLY   8           HA2      GLY   8 -17.757   0.721   3.470
   48    H    ASN   9           H        ASN   9 -14.772   0.792   2.741
   49    HA   ASN   9           HA       ASN   9 -13.892   3.284   3.944
   50    HB2  ASN   9           HB2      ASN   9 -12.663   1.594   1.750
   51    HB3  ASN   9           HB3      ASN   9 -11.911   3.008   2.471
   52   HD21  ASN   9          1HD2      ASN   9 -11.020   0.230   2.340
   53   HD22  ASN   9          2HD2      ASN   9 -10.773  -0.261   3.984
   54    H    LEU  10           H        LEU  10 -12.728   4.692   2.008
   55    HA   LEU  10           HA       LEU  10 -14.871   5.763   0.420
   56    HB2  LEU  10           HB2      LEU  10 -11.910   6.346   0.409
   57    HB3  LEU  10           HB3      LEU  10 -13.119   7.289  -0.442
   58    HG   LEU  10           HG       LEU  10 -12.691   7.083   2.533
   59   HD11  LEU  10          2HD1      LEU  10 -11.306   8.680   1.333
   60   HD12  LEU  10          1HD1      LEU  10 -12.473   9.500   2.370
   61   HD13  LEU  10          3HD1      LEU  10 -12.747   9.415   0.629
   62   HD21  LEU  10          3HD2      LEU  10 -15.089   6.915   2.132
   63   HD22  LEU  10          2HD2      LEU  10 -15.026   8.332   1.084
   64   HD23  LEU  10          1HD2      LEU  10 -14.680   8.493   2.806
   65    H    TYR  11           H        TYR  11 -13.629   2.974   0.026
   66    HA   TYR  11           HA       TYR  11 -12.961   3.221  -2.819
   67    HB2  TYR  11           HB2      TYR  11 -11.448   2.068  -0.632
   68    HB3  TYR  11           HB3      TYR  11 -11.739   0.884  -1.898
   69    HD1  TYR  11           HD1      TYR  11 -11.088   1.495  -4.271
   70    HD2  TYR  11           HD2      TYR  11  -9.804   3.695  -0.867
   71    HE1  TYR  11           HE1      TYR  11  -9.247   2.434  -5.593
   72    HE2  TYR  11           HE2      TYR  11  -7.958   4.655  -2.171
   73    HH   TYR  11           HH       TYR  11  -7.775   4.685  -5.389
   74    H    THR  12           H        THR  12 -12.798   0.612  -3.457
   75    HA   THR  12           HA       THR  12 -15.591  -0.143  -3.549
   76    HB   THR  12           HB       THR  12 -13.474  -1.795  -4.842
   77    HG1  THR  12           HG1      THR  12 -14.108   0.877  -5.658
   78   HG21  THR  12          3HG2      THR  12 -15.031  -1.728  -6.717
   79   HG22  THR  12          1HG2      THR  12 -16.035  -0.555  -5.864
   80   HG23  THR  12          2HG2      THR  12 -15.871  -2.196  -5.241
   81    H    ALA  13           H        ALA  13 -14.959  -3.000  -3.929
   82    HA   ALA  13           HA       ALA  13 -14.250  -3.728  -1.200
   83    HB1  ALA  13           HB1      ALA  13 -16.196  -5.147  -3.006
   84    HB2  ALA  13           HB2      ALA  13 -15.745  -5.647  -1.376
   85    HB3  ALA  13           HB3      ALA  13 -16.623  -4.136  -1.625
   86    H    GLY  14           H        GLY  14 -12.138  -4.240  -1.470
   87    HA2  GLY  14           HA1      GLY  14 -10.545  -5.937  -1.881
   88    HA3  GLY  14           HA2      GLY  14 -11.588  -6.570  -3.148
   89    H    GLN  15           H        GLN  15 -10.089  -3.417  -2.494
   90    HA   GLN  15           HA       GLN  15  -8.916  -3.522  -5.196
   91    HB2  GLN  15           HB2      GLN  15  -9.505  -1.158  -3.401
   92    HB3  GLN  15           HB3      GLN  15  -8.607  -1.043  -4.906
   93    HG2  GLN  15           HG2      GLN  15 -11.413  -2.113  -4.755
   94    HG3  GLN  15           HG3      GLN  15 -11.034  -0.410  -5.014
   95   HE21  GLN  15          1HE2      GLN  15 -10.745  -3.626  -6.332
   96   HE22  GLN  15          2HE2      GLN  15 -10.491  -3.135  -7.970
   97    H    CYS  16           H        CYS  16  -6.705  -2.760  -5.431
   98    HA   CYS  16           HA       CYS  16  -4.910  -3.821  -3.555
   99    HB2  CYS  16           HB2      CYS  16  -3.213  -2.392  -4.863
  100    HB3  CYS  16           HB3      CYS  16  -4.106  -3.621  -5.752
  101    HG   CYS  16           HG       CYS  16  -4.932  -2.024  -7.569
  102    H    THR  17           H        THR  17  -5.944  -0.509  -4.182
  103    HA   THR  17           HA       THR  17  -4.366   0.573  -2.026
  104    HB   THR  17           HB       THR  17  -5.846   2.654  -2.676
  105    HG1  THR  17           HG1      THR  17  -6.762   2.435  -4.724
  106   HG21  THR  17          3HG2      THR  17  -3.878   1.437  -4.618
  107   HG22  THR  17          1HG2      THR  17  -3.466   2.424  -3.216
  108   HG23  THR  17          2HG2      THR  17  -4.360   3.132  -4.559
  109    H    TRP  18           H        TRP  18  -7.497  -0.768  -2.414
  110    HA   TRP  18           HA       TRP  18  -8.835   0.483  -0.237
  111    HB2  TRP  18           HB2      TRP  18 -10.103  -0.627  -1.960
  112    HB3  TRP  18           HB3      TRP  18  -9.292  -2.150  -1.628
  113    HD1  TRP  18           HD1      TRP  18 -11.899   0.232  -0.090
  114    HE1  TRP  18           HE1      TRP  18 -13.339  -1.129   1.553
  115    HE3  TRP  18           HE3      TRP  18  -9.349  -4.212  -0.201
  116    HZ2  TRP  18           HZ2      TRP  18 -13.398  -3.713   2.660
  117    HZ3  TRP  18           HZ3      TRP  18 -10.171  -6.071   1.183
  118    HH2  TRP  18           HH2      TRP  18 -12.152  -5.827   2.584
  119    H    TYR  19           H        TYR  19  -7.176  -2.678  -0.567
  120    HA   TYR  19           HA       TYR  19  -7.545  -3.534   2.078
  121    HB2  TYR  19           HB2      TYR  19  -6.736  -5.081   0.419
  122    HB3  TYR  19           HB3      TYR  19  -5.301  -4.109   0.129
  123    HD1  TYR  19           HD1      TYR  19  -6.927  -6.464   2.474
  124    HD2  TYR  19           HD2      TYR  19  -3.401  -4.234   1.597
  125    HE1  TYR  19           HE1      TYR  19  -5.688  -7.751   4.166
  126    HE2  TYR  19           HE2      TYR  19  -2.162  -5.521   3.280
  127    HH   TYR  19           HH       TYR  19  -3.215  -8.373   4.589
  128    H    VAL  20           H        VAL  20  -4.996  -1.607   0.616
  129    HA   VAL  20           HA       VAL  20  -3.346  -1.211   2.811
  130    HB   VAL  20           HB       VAL  20  -4.048   0.664   0.547
  131   HG11  VAL  20          2HG1      VAL  20  -3.175   1.967   2.388
  132   HG12  VAL  20          1HG1      VAL  20  -1.962   1.846   1.114
  133   HG13  VAL  20          3HG1      VAL  20  -1.818   0.855   2.565
  134   HG21  VAL  20          3HG2      VAL  20  -3.021  -1.422  -0.172
  135   HG22  VAL  20          2HG2      VAL  20  -1.706  -1.193   0.981
  136   HG23  VAL  20          1HG2      VAL  20  -1.891  -0.082  -0.376
  137    H    TYR  21           H        TYR  21  -6.048   0.808   1.693
  138    HA   TYR  21           HA       TYR  21  -5.894   2.712   3.736
  139    HB2  TYR  21           HB2      TYR  21  -7.114   2.885   1.512
  140    HB3  TYR  21           HB3      TYR  21  -8.411   1.960   2.253
  141    HD1  TYR  21           HD1      TYR  21  -6.344   4.974   2.958
  142    HD2  TYR  21           HD2      TYR  21 -10.166   3.130   3.166
  143    HE1  TYR  21           HE1      TYR  21  -7.286   7.060   3.839
  144    HE2  TYR  21           HE2      TYR  21 -11.129   5.207   4.044
  145    HH   TYR  21           HH       TYR  21 -10.292   7.266   5.287
  146    H    ASP  22           H        ASP  22  -7.641  -0.336   3.537
  147    HA   ASP  22           HA       ASP  22  -9.249   0.092   5.846
  148    HB2  ASP  22           HB2      ASP  22  -9.778  -1.562   4.051
  149    HB3  ASP  22           HB3      ASP  22  -8.438  -2.552   4.619
  150    H    LYS  23           H        LYS  23  -6.144  -1.491   5.285
  151    HA   LYS  23           HA       LYS  23  -5.954  -2.551   7.934
  152    HB2  LYS  23           HB2      LYS  23  -3.935  -2.268   5.715
  153    HB3  LYS  23           HB3      LYS  23  -3.561  -3.018   7.260
  154    HG2  LYS  23           HG2      LYS  23  -5.658  -3.942   5.306
  155    HG3  LYS  23           HG3      LYS  23  -4.079  -4.684   5.571
  156    HD2  LYS  23           HD2      LYS  23  -6.217  -4.398   7.679
  157    HD3  LYS  23           HD3      LYS  23  -5.936  -5.858   6.729
  158    HE2  LYS  23           HE2      LYS  23  -3.696  -6.049   7.643
  159    HE3  LYS  23           HE3      LYS  23  -3.908  -4.540   8.531
  160    HZ1  LYS  23           HZ1      LYS  23  -5.582  -6.961   8.937
  161    HZ2  LYS  23           HZ2      LYS  23  -5.597  -5.542   9.867
  162    HZ3  LYS  23           HZ3      LYS  23  -4.237  -6.559   9.895
  163    H    VAL  24           H        VAL  24  -5.040   0.474   6.469
  164    HA   VAL  24           HA       VAL  24  -3.331   1.170   8.721
  165    HB   VAL  24           HB       VAL  24  -3.024   3.334   7.617
  166   HG11  VAL  24          2HG1      VAL  24  -2.707   0.993   5.746
  167   HG12  VAL  24          1HG1      VAL  24  -1.569   1.486   7.000
  168   HG13  VAL  24          3HG1      VAL  24  -1.866   2.536   5.613
  169   HG21  VAL  24          3HG2      VAL  24  -4.935   2.270   5.541
  170   HG22  VAL  24          2HG2      VAL  24  -3.983   3.747   5.392
  171   HG23  VAL  24          1HG2      VAL  24  -5.227   3.621   6.637
  172    H    GLY  25           H        GLY  25  -6.462   0.800   8.576
  173    HA2  GLY  25           HA1      GLY  25  -7.973   1.405  10.242
  174    HA3  GLY  25           HA2      GLY  25  -6.887   2.698  10.724
  175    H    GLY  26           H        GLY  26  -7.048   3.144   7.548
  176    HA2  GLY  26           HA1      GLY  26  -8.311   4.475   6.145
  177    HA3  GLY  26           HA2      GLY  26  -9.627   4.390   7.308
  178    H    GLU  27           H        GLU  27  -6.587   5.352   8.542
  179    HA   GLU  27           HA       GLU  27  -7.620   8.044   8.980
  180    HB2  GLU  27           HB2      GLU  27  -6.650   6.635  10.835
  181    HB3  GLU  27           HB3      GLU  27  -5.083   6.803  10.060
  182    HG2  GLU  27           HG2      GLU  27  -5.300   8.370  11.888
  183    HG3  GLU  27           HG3      GLU  27  -5.198   9.229  10.351
  184    H    ILE  28           H        ILE  28  -5.405   6.385   6.979
  185    HA   ILE  28           HA       ILE  28  -4.274   8.944   6.091
  186    HB   ILE  28           HB       ILE  28  -2.265   8.223   6.742
  187   HG12  ILE  28          2HG1      ILE  28  -2.488   7.520   4.167
  188   HG13  ILE  28          3HG1      ILE  28  -0.999   7.264   5.082
  189   HG21  ILE  28          2HG2      ILE  28  -1.751   5.971   7.513
  190   HG22  ILE  28          1HG2      ILE  28  -3.306   5.404   6.904
  191   HG23  ILE  28          3HG2      ILE  28  -3.250   6.576   8.221
  192   HD11  ILE  28          3HD1      ILE  28  -3.141   5.206   4.543
  193   HD12  ILE  28          2HD1      ILE  28  -1.661   4.932   5.466
  194   HD13  ILE  28          1HD1      ILE  28  -1.568   5.315   3.745
  195    H    GLY  29           H        GLY  29  -4.707   9.419   4.052
  196    HA2  GLY  29           HA1      GLY  29  -4.282   9.012   1.775
  197    HA3  GLY  29           HA2      GLY  29  -4.373   7.292   2.092
  198    H    SER  30           H        SER  30  -6.722   9.889   2.772
  199    HA   SER  30           HA       SER  30  -8.789   8.265   1.555
  200    HB2  SER  30           HB2      SER  30 -10.271  10.195   2.212
  201    HB3  SER  30           HB3      SER  30  -9.408   9.450   3.555
  202    HG   SER  30           HG       SER  30  -8.367  11.256   3.876
  203    H    THR  31           H        THR  31  -6.602  10.669   0.607
  204    HA   THR  31           HA       THR  31  -8.104  11.139  -1.873
  205    HB   THR  31           HB       THR  31  -6.497  13.332  -0.576
  206    HG1  THR  31           HG1      THR  31  -8.319  12.386   0.779
  207   HG21  THR  31          3HG2      THR  31  -7.191  13.594  -2.926
  208   HG22  THR  31          1HG2      THR  31  -7.979  14.772  -1.877
  209   HG23  THR  31          2HG2      THR  31  -8.870  13.361  -2.445
  210    H    TRP  32           H        TRP  32  -5.928   9.265  -1.406
  211    HA   TRP  32           HA       TRP  32  -3.599  10.525  -2.590
  212    HB2  TRP  32           HB2      TRP  32  -2.517   8.335  -2.415
  213    HB3  TRP  32           HB3      TRP  32  -3.208   8.843  -0.881
  214    HD1  TRP  32           HD1      TRP  32  -5.282   7.202  -3.647
  215    HE1  TRP  32           HE1      TRP  32  -6.160   4.968  -2.795
  216    HE3  TRP  32           HE3      TRP  32  -2.740   7.012   0.753
  217    HZ2  TRP  32           HZ2      TRP  32  -5.829   3.302  -0.510
  218    HZ3  TRP  32           HZ3      TRP  32  -3.074   5.064   2.231
  219    HH2  TRP  32           HH2      TRP  32  -4.584   3.250   1.609
  220    H    GLY  33           H        GLY  33  -6.440   9.299  -3.765
  221    HA2  GLY  33           HA1      GLY  33  -7.047   9.139  -6.017
  222    HA3  GLY  33           HA2      GLY  33  -5.339   9.208  -6.430
  223    H    ASN  34           H        ASN  34  -4.411   7.481  -7.107
  224    HA   ASN  34           HA       ASN  34  -5.189   4.898  -5.994
  225    HB2  ASN  34           HB2      ASN  34  -5.342   5.673  -8.836
  226    HB3  ASN  34           HB3      ASN  34  -4.477   4.170  -8.529
  227   HD21  ASN  34          1HD2      ASN  34  -7.535   5.788  -8.434
  228   HD22  ASN  34          2HD2      ASN  34  -8.498   4.383  -8.128
  229    H    ALA  35           H        ALA  35  -3.398   3.274  -7.046
  230    HA   ALA  35           HA       ALA  35  -1.168   3.802  -5.513
  231    HB1  ALA  35           HB1      ALA  35  -1.273   1.947  -7.875
  232    HB2  ALA  35           HB2      ALA  35  -0.178   1.854  -6.495
  233    HB3  ALA  35           HB3      ALA  35  -1.907   1.579  -6.272
  234    H    ASN  36           H        ASN  36  -1.624   4.531  -8.944
  235    HA   ASN  36           HA       ASN  36   1.073   4.962  -9.603
  236    HB2  ASN  36           HB2      ASN  36  -0.764   4.668 -11.250
  237    HB3  ASN  36           HB3      ASN  36  -1.365   6.270 -10.824
  238   HD21  ASN  36          1HD2      ASN  36   1.082   4.474 -12.481
  239   HD22  ASN  36          2HD2      ASN  36   1.795   5.810 -13.316
  240    H    ASN  37           H        ASN  37  -1.346   7.077  -8.197
  241    HA   ASN  37           HA       ASN  37   0.416   9.402  -8.516
  242    HB2  ASN  37           HB2      ASN  37  -1.973   9.493  -9.298
  243    HB3  ASN  37           HB3      ASN  37  -2.479   9.307  -7.626
  244   HD21  ASN  37          1HD2      ASN  37  -3.550  11.243  -7.599
  245   HD22  ASN  37          2HD2      ASN  37  -2.732  12.770  -7.585
  246    H    TRP  38           H        TRP  38   0.393   7.091  -6.441
  247    HA   TRP  38           HA       TRP  38  -0.542   7.944  -3.986
  248    HB2  TRP  38           HB2      TRP  38   1.081   5.794  -4.964
  249    HB3  TRP  38           HB3      TRP  38   1.749   6.421  -3.449
  250    HD1  TRP  38           HD1      TRP  38  -1.930   5.779  -4.548
  251    HE1  TRP  38           HE1      TRP  38  -3.039   4.441  -2.687
  252    HE3  TRP  38           HE3      TRP  38   2.099   5.272  -1.477
  253    HZ2  TRP  38           HZ2      TRP  38  -2.274   3.296  -0.153
  254    HZ3  TRP  38           HZ3      TRP  38   1.843   4.044   0.633
  255    HH2  TRP  38           HH2      TRP  38  -0.293   3.078   1.271
  256    H    ALA  39           H        ALA  39   2.889   8.047  -5.015
  257    HA   ALA  39           HA       ALA  39   3.777   9.211  -2.621
  258    HB1  ALA  39           HB1      ALA  39   5.862   9.649  -3.778
  259    HB2  ALA  39           HB2      ALA  39   5.253   8.050  -4.207
  260    HB3  ALA  39           HB3      ALA  39   5.077   9.393  -5.337
  261    H    ALA  40           H        ALA  40   2.536  10.642  -5.552
  262    HA   ALA  40           HA       ALA  40   3.253  13.334  -4.866
  263    HB1  ALA  40           HB1      ALA  40   1.902  13.957  -6.793
  264    HB2  ALA  40           HB2      ALA  40   2.985  12.623  -7.192
  265    HB3  ALA  40           HB3      ALA  40   1.276  12.312  -6.900
  266    H    ALA  41           H        ALA  41   0.192  11.505  -4.915
  267    HA   ALA  41           HA       ALA  41  -1.405  13.619  -3.944
  268    HB1  ALA  41           HB1      ALA  41  -2.286  11.663  -5.160
  269    HB2  ALA  41           HB2      ALA  41  -1.943  10.654  -3.753
  270    HB3  ALA  41           HB3      ALA  41  -3.131  11.954  -3.641
  271    H    ALA  42           H        ALA  42   0.408  11.084  -2.356
  272    HA   ALA  42           HA       ALA  42  -0.586  11.350   0.256
  273    HB1  ALA  42           HB1      ALA  42   0.820   9.502  -0.360
  274    HB2  ALA  42           HB2      ALA  42   2.161  10.590  -0.736
  275    HB3  ALA  42           HB3      ALA  42   1.611  10.410   0.930
  276    H    GLN  43           H        GLN  43   2.021  13.067  -1.443
  277    HA   GLN  43           HA       GLN  43   2.798  14.649   0.783
  278    HB2  GLN  43           HB2      GLN  43   3.159  15.185  -2.171
  279    HB3  GLN  43           HB3      GLN  43   3.985  16.037  -0.870
  280    HG2  GLN  43           HG2      GLN  43   4.995  13.888  -0.172
  281    HG3  GLN  43           HG3      GLN  43   4.247  13.121  -1.574
  282   HE21  GLN  43          1HE2      GLN  43   6.154  12.554  -2.525
  283   HE22  GLN  43          2HE2      GLN  43   7.261  13.695  -3.210
  284    H    GLY  44           H        GLY  44   0.486  15.062  -1.830
  285    HA2  GLY  44           HA1      GLY  44  -0.260  17.727  -1.208
  286    HA3  GLY  44           HA2      GLY  44  -1.225  16.572  -2.117
  287    H    ALA  45           H        ALA  45  -1.076  14.664   0.186
  288    HA   ALA  45           HA       ALA  45  -3.298  15.749   1.715
  289    HB1  ALA  45           HB1      ALA  45  -3.431  13.451   0.871
  290    HB2  ALA  45           HB2      ALA  45  -2.008  13.022   1.821
  291    HB3  ALA  45           HB3      ALA  45  -3.499  13.497   2.633
  292    H    GLY  46           H        GLY  46   0.084  15.370   1.994
  293    HA2  GLY  46           HA1      GLY  46   1.329  16.574   3.605
  294    HA3  GLY  46           HA2      GLY  46  -0.054  16.510   4.684
  295    H    PHE  47           H        PHE  47   1.379  13.750   2.978
  296    HA   PHE  47           HA       PHE  47   1.955  12.547   5.589
  297    HB2  PHE  47           HB2      PHE  47   2.173  11.279   2.854
  298    HB3  PHE  47           HB3      PHE  47   2.307  10.452   4.396
  299    HD1  PHE  47           HD2      PHE  47  -0.150  12.346   5.407
  300    HD2  PHE  47           HD1      PHE  47   0.523   9.544   2.279
  301    HE1  PHE  47           HE2      PHE  47  -2.565  11.875   5.303
  302    HE2  PHE  47           HE1      PHE  47  -1.881   9.055   2.171
  303    HZ   PHE  47           HZ       PHE  47  -3.425  10.237   3.683
  304    H    THR  48           H        THR  48   3.985  11.726   6.106
  305    HA   THR  48           HA       THR  48   6.227  13.058   4.829
  306    HB   THR  48           HB       THR  48   6.323  11.077   7.115
  307    HG1  THR  48           HG1      THR  48   4.968  13.159   7.321
  308   HG21  THR  48          3HG2      THR  48   8.475  11.532   6.073
  309   HG22  THR  48          1HG2      THR  48   8.408  12.269   7.673
  310   HG23  THR  48          2HG2      THR  48   8.209  13.268   6.234
  311    H    VAL  49           H        VAL  49   6.475  12.058   2.827
  312    HA   VAL  49           HA       VAL  49   6.622   9.147   2.811
  313    HB   VAL  49           HB       VAL  49   5.943   9.154   0.684
  314   HG11  VAL  49          2HG1      VAL  49   4.688  11.118  -0.062
  315   HG12  VAL  49          1HG1      VAL  49   5.432  12.065   1.227
  316   HG13  VAL  49          3HG1      VAL  49   4.372  10.712   1.624
  317   HG21  VAL  49          3HG2      VAL  49   8.037   9.757  -0.286
  318   HG22  VAL  49          2HG2      VAL  49   7.796  11.460   0.123
  319   HG23  VAL  49          1HG2      VAL  49   6.775  10.691  -1.091
  320    H    ASN  50           H        ASN  50   8.416   8.037   2.561
  321    HA   ASN  50           HA       ASN  50  10.760   9.221   1.387
  322    HB2  ASN  50           HB2      ASN  50  12.255   8.560   3.220
  323    HB3  ASN  50           HB3      ASN  50  11.069   9.722   3.795
  324   HD21  ASN  50          1HD2      ASN  50   9.411   8.995   5.178
  325   HD22  ASN  50          2HD2      ASN  50   9.585   7.526   6.078
  326    H    HIS  51           H        HIS  51  12.189   6.733   2.552
  327    HA   HIS  51           HA       HIS  51  10.672   4.658   1.288
  328    HB2  HIS  51           HB2      HIS  51  12.561   4.076  -0.329
  329    HB3  HIS  51           HB3      HIS  51  11.578   5.471  -0.736
  330    HD1  HIS  51           HD1      HIS  51  14.934   4.474  -0.859
  331    HD2  HIS  51           HD2      HIS  51  13.038   7.961   0.383
  332    HE1  HIS  51           HE1      HIS  51  16.690   6.273  -0.942
  333    HE2  HIS  51           HE2      HIS  51  15.465   8.400  -0.386
  334    H    THR  52           H        THR  52  10.849   3.989   3.454
  335    HA   THR  52           HA       THR  52  12.920   1.976   3.671
  336    HB   THR  52           HB       THR  52  12.357   3.817   6.012
  337    HG1  THR  52           HG1      THR  52  14.149   4.004   3.921
  338   HG21  THR  52          3HG2      THR  52  14.413   1.633   5.616
  339   HG22  THR  52          1HG2      THR  52  12.986   1.538   6.646
  340   HG23  THR  52          2HG2      THR  52  14.278   2.672   7.035
  341    HA   PRO  53           HA       PRO  53   8.689   0.329   4.344
  342    HB2  PRO  53           HB2      PRO  53   9.544  -2.296   4.137
  343    HB3  PRO  53           HB3      PRO  53   9.014  -1.292   2.786
  344    HG2  PRO  53           HG2      PRO  53  11.792  -1.864   3.744
  345    HG3  PRO  53           HG3      PRO  53  11.171  -1.797   2.082
  346    HD2  PRO  53           HD2      PRO  53  12.554   0.239   3.087
  347    HD3  PRO  53           HD3      PRO  53  11.128   0.528   2.063
  348    H    SER  54           H        SER  54   7.680  -0.916   5.952
  349    HA   SER  54           HA       SER  54   8.836  -2.242   8.090
  350    HB2  SER  54           HB2      SER  54   9.913  -0.058   8.607
  351    HB3  SER  54           HB3      SER  54   8.320   0.691   8.697
  352    HG   SER  54           HG       SER  54   8.164   0.006  10.661
  353    H    LYS  55           H        LYS  55   7.191  -2.477   9.911
  354    HA   LYS  55           HA       LYS  55   4.637  -2.945   8.848
  355    HB2  LYS  55           HB2      LYS  55   5.539  -4.091  10.856
  356    HB3  LYS  55           HB3      LYS  55   5.374  -2.593  11.762
  357    HG2  LYS  55           HG2      LYS  55   2.947  -2.639  11.355
  358    HG3  LYS  55           HG3      LYS  55   3.138  -4.178  10.518
  359    HD2  LYS  55           HD2      LYS  55   4.080  -5.142  12.594
  360    HD3  LYS  55           HD3      LYS  55   3.757  -3.612  13.413
  361    HE2  LYS  55           HE2      LYS  55   1.711  -5.420  12.132
  362    HE3  LYS  55           HE3      LYS  55   1.981  -5.213  13.863
  363    HZ1  LYS  55           HZ1      LYS  55   1.067  -3.094  11.986
  364    HZ2  LYS  55           HZ2      LYS  55   1.325  -2.893  13.649
  365    HZ3  LYS  55           HZ3      LYS  55   0.091  -3.918  13.101
  366    H    GLY  56           H        GLY  56   2.837  -1.736   8.690
  367    HA2  GLY  56           HA1      GLY  56   1.363   0.021   9.206
  368    HA3  GLY  56           HA2      GLY  56   2.633   0.780  10.158
  369    H    ALA  57           H        ALA  57   3.781  -0.273   7.204
  370    HA   ALA  57           HA       ALA  57   3.426   2.396   6.007
  371    HB1  ALA  57           HB1      ALA  57   5.565   1.963   4.833
  372    HB2  ALA  57           HB2      ALA  57   5.741   2.010   6.589
  373    HB3  ALA  57           HB3      ALA  57   5.725   0.461   5.745
  374    H    ILE  58           H        ILE  58   3.918   2.139   3.480
  375    HA   ILE  58           HA       ILE  58   2.679  -0.307   2.463
  376    HB   ILE  58           HB       ILE  58   1.813   2.413   1.483
  377   HG12  ILE  58          2HG1      ILE  58  -0.449   1.510   2.528
  378   HG13  ILE  58          3HG1      ILE  58   0.646   0.648   3.595
  379   HG21  ILE  58          2HG2      ILE  58   1.707   0.642  -0.168
  380   HG22  ILE  58          1HG2      ILE  58   0.082   1.130   0.313
  381   HG23  ILE  58          3HG2      ILE  58   0.778  -0.364   0.943
  382   HD11  ILE  58          3HD1      ILE  58   1.665   2.781   4.249
  383   HD12  ILE  58          2HD1      ILE  58  -0.062   2.725   4.600
  384   HD13  ILE  58          1HD1      ILE  58   0.523   3.627   3.203
  385    H    LEU  59           H        LEU  59   3.682  -1.057   0.715
  386    HA   LEU  59           HA       LEU  59   6.052   0.373  -0.160
  387    HB2  LEU  59           HB2      LEU  59   5.916  -2.083   0.545
  388    HB3  LEU  59           HB3      LEU  59   5.120  -2.376  -0.987
  389    HG   LEU  59           HG       LEU  59   7.576  -2.912  -0.923
  390   HD11  LEU  59          2HD1      LEU  59   6.411  -2.588  -3.024
  391   HD12  LEU  59          1HD1      LEU  59   8.049  -1.941  -3.107
  392   HD13  LEU  59          3HD1      LEU  59   6.677  -0.847  -2.917
  393   HD21  LEU  59          3HD2      LEU  59   8.267  -1.038   0.477
  394   HD22  LEU  59          2HD2      LEU  59   7.845   0.084  -0.816
  395   HD23  LEU  59          1HD2      LEU  59   9.157  -1.074  -1.046
  396    H    GLN  60           H        GLN  60   6.203   1.468  -2.022
  397    HA   GLN  60           HA       GLN  60   3.998   1.216  -3.968
  398    HB2  GLN  60           HB2      GLN  60   3.815   3.375  -3.150
  399    HB3  GLN  60           HB3      GLN  60   5.548   3.556  -2.939
  400    HG2  GLN  60           HG2      GLN  60   4.938   5.001  -4.698
  401    HG3  GLN  60           HG3      GLN  60   5.756   3.624  -5.446
  402   HE21  GLN  60          1HE2      GLN  60   3.831   5.565  -6.571
  403   HE22  GLN  60          2HE2      GLN  60   2.522   4.623  -7.183
  404    H    SER  61           H        SER  61   4.404   0.720  -5.981
  405    HA   SER  61           HA       SER  61   7.007   1.416  -7.148
  406    HB2  SER  61           HB2      SER  61   6.910  -1.058  -6.791
  407    HB3  SER  61           HB3      SER  61   5.458  -1.114  -7.786
  408    HG   SER  61           HG       SER  61   7.167  -1.580  -9.121
  409    H    SER  62           H        SER  62   6.842   2.226  -9.286
  410    HA   SER  62           HA       SER  62   4.282   3.422  -9.830
  411    HB2  SER  62           HB2      SER  62   6.808   3.576 -11.487
  412    HB3  SER  62           HB3      SER  62   5.449   4.702 -11.499
  413    HG   SER  62           HG       SER  62   6.289   5.673  -9.844
  414    H    GLU  63           H        GLU  63   5.308   0.412 -10.479
  415    HA   GLU  63           HA       GLU  63   4.156   0.353 -13.183
  416    HB2  GLU  63           HB2      GLU  63   5.985  -1.634 -11.831
  417    HB3  GLU  63           HB3      GLU  63   5.297  -1.830 -13.437
  418    HG2  GLU  63           HG2      GLU  63   6.456   0.221 -14.150
  419    HG3  GLU  63           HG3      GLU  63   7.201   0.323 -12.556
  420    H    GLY  64           H        GLY  64   2.471  -0.941 -13.670
  421    HA2  GLY  64           HA1      GLY  64   1.447  -3.166 -12.614
  422    HA3  GLY  64           HA2      GLY  64   0.927  -1.971 -11.431
  423    HA   PRO  65           HA       PRO  65  -2.381  -1.688 -14.562
  424    HB2  PRO  65           HB2      PRO  65  -4.214  -1.178 -12.427
  425    HB3  PRO  65           HB3      PRO  65  -4.099  -2.631 -13.418
  426    HG2  PRO  65           HG2      PRO  65  -3.511  -2.467 -10.706
  427    HG3  PRO  65           HG3      PRO  65  -3.005  -3.771 -11.794
  428    HD2  PRO  65           HD2      PRO  65  -1.460  -1.448 -10.756
  429    HD3  PRO  65           HD3      PRO  65  -0.903  -3.084 -11.174
  430    H    PHE  66           H        PHE  66  -2.423   0.107 -11.524
  431    HA   PHE  66           HA       PHE  66  -2.226   2.637 -13.017
  432    HB2  PHE  66           HB2      PHE  66  -3.004   2.294 -10.107
  433    HB3  PHE  66           HB3      PHE  66  -3.145   3.749 -11.084
  434    HD1  PHE  66           HD2      PHE  66  -4.595   0.468 -10.338
  435    HD2  PHE  66           HD1      PHE  66  -4.985   4.050 -12.608
  436    HE1  PHE  66           HE2      PHE  66  -6.919  -0.130 -10.877
  437    HE2  PHE  66           HE1      PHE  66  -7.311   3.457 -13.147
  438    HZ   PHE  66           HZ       PHE  66  -8.281   1.368 -12.281
  439    H    GLY  67           H        GLY  67  -1.351   1.200  -9.927
  440    HA2  GLY  67           HA1      GLY  67   1.470   1.681 -10.423
  441    HA3  GLY  67           HA2      GLY  67   0.771   2.460  -9.002
  442    H    HIS  68           H        HIS  68   1.964   1.204  -7.523
  443    HA   HIS  68           HA       HIS  68   0.863  -1.468  -7.119
  444    HB2  HIS  68           HB2      HIS  68   2.984  -1.611  -8.558
  445    HB3  HIS  68           HB3      HIS  68   3.850  -1.039  -7.128
  446    HD1  HIS  68           HD1      HIS  68   2.916  -4.052  -8.786
  447    HD2  HIS  68           HD2      HIS  68   3.273  -2.899  -4.814
  448    HE1  HIS  68           HE1      HIS  68   3.148  -6.185  -7.482
  449    HE2  HIS  68           HE2      HIS  68   2.945  -5.451  -5.081
  450    H    VAL  69           H        VAL  69  -0.071  -0.510  -5.167
  451    HA   VAL  69           HA       VAL  69   2.027  -0.062  -3.168
  452    HB   VAL  69           HB       VAL  69   0.365   1.195  -1.848
  453   HG11  VAL  69          2HG1      VAL  69   0.415   3.193  -3.257
  454   HG12  VAL  69          1HG1      VAL  69   0.816   2.197  -4.656
  455   HG13  VAL  69          3HG1      VAL  69   1.951   2.327  -3.310
  456   HG21  VAL  69          3HG2      VAL  69  -1.680   0.204  -2.754
  457   HG22  VAL  69          2HG2      VAL  69  -1.352   0.950  -4.317
  458   HG23  VAL  69          1HG2      VAL  69  -1.698   1.960  -2.915
  459    H    ALA  70           H        ALA  70   2.377  -1.759  -2.049
  460    HA   ALA  70           HA       ALA  70   0.115  -3.448  -1.221
  461    HB1  ALA  70           HB1      ALA  70   1.776  -5.204  -0.832
  462    HB2  ALA  70           HB2      ALA  70   1.806  -4.641  -2.504
  463    HB3  ALA  70           HB3      ALA  70   3.052  -4.114  -1.371
  464    H    TYR  71           H        TYR  71  -0.387  -3.533   0.870
  465    HA   TYR  71           HA       TYR  71   0.826  -1.651   2.626
  466    HB2  TYR  71           HB2      TYR  71  -1.422  -1.855   3.067
  467    HB3  TYR  71           HB3      TYR  71  -1.431  -3.593   2.772
  468    HD1  TYR  71           HD1      TYR  71  -0.528  -0.998   5.267
  469    HD2  TYR  71           HD2      TYR  71  -1.192  -5.136   4.526
  470    HE1  TYR  71           HE1      TYR  71  -0.505  -1.430   7.690
  471    HE2  TYR  71           HE2      TYR  71  -1.172  -5.578   6.944
  472    HH   TYR  71           HH       TYR  71  -0.475  -4.667   8.980
  473    H    VAL  72           H        VAL  72   2.406  -1.909   4.033
  474    HA   VAL  72           HA       VAL  72   3.911  -4.360   3.919
  475    HB   VAL  72           HB       VAL  72   4.498  -1.921   5.597
  476   HG11  VAL  72          2HG1      VAL  72   5.760  -3.826   6.295
  477   HG12  VAL  72          1HG1      VAL  72   6.836  -2.752   5.398
  478   HG13  VAL  72          3HG1      VAL  72   6.201  -4.206   4.628
  479   HG21  VAL  72          3HG2      VAL  72   5.932  -1.148   3.783
  480   HG22  VAL  72          2HG2      VAL  72   4.255  -1.273   3.245
  481   HG23  VAL  72          1HG2      VAL  72   5.426  -2.515   2.786
  482    H    GLU  73           H        GLU  73   3.597  -6.001   5.215
  483    HA   GLU  73           HA       GLU  73   2.038  -5.717   7.630
  484    HB2  GLU  73           HB2      GLU  73   3.392  -8.164   6.475
  485    HB3  GLU  73           HB3      GLU  73   2.196  -8.150   7.763
  486    HG2  GLU  73           HG2      GLU  73   0.540  -7.247   6.194
  487    HG3  GLU  73           HG3      GLU  73   1.738  -7.335   4.905
  488    H    SER  74           H        SER  74   5.350  -6.519   6.691
  489    HA   SER  74           HA       SER  74   6.486  -5.595   9.117
  490    HB2  SER  74           HB2      SER  74   6.315  -8.599   8.745
  491    HB3  SER  74           HB3      SER  74   7.414  -7.813   9.874
  492    HG   SER  74           HG       SER  74   4.822  -6.968  10.140
  493    H    VAL  75           H        VAL  75   8.611  -5.135   8.771
  494    HA   VAL  75           HA       VAL  75   9.907  -6.289   6.416
  495    HB   VAL  75           HB       VAL  75  10.226  -3.892   6.668
  496   HG11  VAL  75          2HG1      VAL  75  11.488  -4.505   9.334
  497   HG12  VAL  75          1HG1      VAL  75   9.945  -3.690   9.077
  498   HG13  VAL  75          3HG1      VAL  75  11.444  -2.927   8.548
  499   HG21  VAL  75          3HG2      VAL  75  12.693  -3.802   6.643
  500   HG22  VAL  75          2HG2      VAL  75  12.047  -5.125   5.669
  501   HG23  VAL  75          1HG2      VAL  75  12.735  -5.454   7.260
  502    H    ASN  76           H        ASN  76  11.258  -7.978   6.583
  503    HA   ASN  76           HA       ASN  76  11.449  -9.211   9.180
  504    HB2  ASN  76           HB2      ASN  76  12.442 -10.156   6.483
  505    HB3  ASN  76           HB3      ASN  76  12.464 -11.114   7.961
  506   HD21  ASN  76          1HD2      ASN  76  10.498  -9.773   5.446
  507   HD22  ASN  76          2HD2      ASN  76   9.045 -10.645   5.827
  508    H    SER  77           H        SER  77  13.440 -10.052  10.065
  509    HA   SER  77           HA       SER  77  15.548  -8.218  10.213
  510    HB2  SER  77           HB2      SER  77  15.723 -11.182  10.789
  511    HB3  SER  77           HB3      SER  77  16.699  -9.898  11.498
  512    HG   SER  77           HG       SER  77  14.553 -10.869  12.522
  513    H    ASP  78           H        ASP  78  14.878 -10.712   7.933
  514    HA   ASP  78           HA       ASP  78  17.447 -11.106   6.828
  515    HB2  ASP  78           HB2      ASP  78  14.678 -11.345   5.643
  516    HB3  ASP  78           HB3      ASP  78  16.136 -11.785   4.765
  517    H    GLY  79           H        GLY  79  15.430  -8.392   6.825
  518    HA2  GLY  79           HA1      GLY  79  15.887  -6.315   5.816
  519    HA3  GLY  79           HA2      GLY  79  16.969  -7.124   4.686
  520    H    SER  80           H        SER  80  14.821  -9.214   4.364
  521    HA   SER  80           HA       SER  80  13.487  -8.034   2.131
  522    HB2  SER  80           HB2      SER  80  12.987 -10.731   3.405
  523    HB3  SER  80           HB3      SER  80  12.562 -10.229   1.767
  524    HG   SER  80           HG       SER  80  14.609 -11.514   2.147
  525    H    VAL  81           H        VAL  81  11.331  -7.565   1.919
  526    HA   VAL  81           HA       VAL  81  10.020  -7.010   4.494
  527    HB   VAL  81           HB       VAL  81   9.627  -5.597   1.855
  528   HG11  VAL  81          2HG1      VAL  81   7.697  -5.450   3.326
  529   HG12  VAL  81          1HG1      VAL  81   8.516  -3.891   3.212
  530   HG13  VAL  81          3HG1      VAL  81   8.728  -4.897   4.646
  531   HG21  VAL  81          3HG2      VAL  81  10.948  -3.789   2.833
  532   HG22  VAL  81          2HG2      VAL  81  11.890  -5.275   2.695
  533   HG23  VAL  81          1HG2      VAL  81  11.247  -4.782   4.263
  534    H    THR  82           H        THR  82   8.172  -7.947   4.946
  535    HA   THR  82           HA       THR  82   6.781  -9.499   2.921
  536    HB   THR  82           HB       THR  82   6.338  -9.250   5.907
  537    HG1  THR  82           HG1      THR  82   7.358 -11.460   4.428
  538   HG21  THR  82          3HG2      THR  82   5.108 -11.178   3.925
  539   HG22  THR  82          1HG2      THR  82   4.264  -9.855   4.731
  540   HG23  THR  82          2HG2      THR  82   4.887 -11.210   5.674
  541    H    ILE  83           H        ILE  83   5.248  -8.564   1.759
  542    HA   ILE  83           HA       ILE  83   3.508  -6.554   3.026
  543    HB   ILE  83           HB       ILE  83   3.427  -5.331   0.863
  544   HG12  ILE  83          2HG1      ILE  83   5.772  -7.100   0.131
  545   HG13  ILE  83          3HG1      ILE  83   4.168  -7.189  -0.585
  546   HG21  ILE  83          2HG2      ILE  83   4.831  -4.497   2.635
  547   HG22  ILE  83          1HG2      ILE  83   5.628  -4.247   1.084
  548   HG23  ILE  83          3HG2      ILE  83   6.145  -5.560   2.142
  549   HD11  ILE  83          3HD1      ILE  83   4.439  -4.939  -1.481
  550   HD12  ILE  83          2HD1      ILE  83   5.717  -6.018  -2.038
  551   HD13  ILE  83          1HD1      ILE  83   6.046  -4.845  -0.763
  552    H    SER  84           H        SER  84   1.376  -6.431   2.151
  553    HA   SER  84           HA       SER  84   0.637  -8.599   0.324
  554    HB2  SER  84           HB2      SER  84  -0.606  -8.050   3.019
  555    HB3  SER  84           HB3      SER  84  -1.415  -8.993   1.769
  556    HG   SER  84           HG       SER  84   0.894  -9.598   3.263
  557    H    GLU  85           H        GLU  85  -0.895  -8.105  -1.117
  558    HA   GLU  85           HA       GLU  85  -2.417  -5.620  -0.832
  559    HB2  GLU  85           HB2      GLU  85  -1.905  -5.105  -3.241
  560    HB3  GLU  85           HB3      GLU  85  -0.533  -4.954  -2.154
  561    HG2  GLU  85           HG2      GLU  85   0.065  -7.331  -2.863
  562    HG3  GLU  85           HG3      GLU  85  -1.098  -7.101  -4.166
  563    H    MET  86           H        MET  86  -4.484  -6.253  -0.903
  564    HA   MET  86           HA       MET  86  -5.325  -8.692  -2.083
  565    HB2  MET  86           HB2      MET  86  -6.480  -6.683  -0.430
  566    HB3  MET  86           HB3      MET  86  -7.561  -6.981  -1.781
  567    HG2  MET  86           HG2      MET  86  -8.283  -8.472  -0.182
  568    HG3  MET  86           HG3      MET  86  -7.247  -9.454  -1.207
  569    HE1  MET  86           HE1      MET  86  -6.894 -10.610   2.648
  570    HE2  MET  86           HE2      MET  86  -8.243  -9.587   2.151
  571    HE3  MET  86           HE3      MET  86  -7.748 -10.946   1.141
  572    H    ASN  87           H        ASN  87  -6.145  -9.141  -3.979
  573    HA   ASN  87           HA       ASN  87  -6.974  -8.998  -6.074
  574    HB2  ASN  87           HB2      ASN  87  -8.703  -7.539  -5.194
  575    HB3  ASN  87           HB3      ASN  87  -7.637  -6.145  -5.327
  576   HD21  ASN  87          1HD2      ASN  87  -8.992  -5.037  -6.695
  577   HD22  ASN  87          2HD2      ASN  87  -9.264  -5.496  -8.339
  578    H    TYR  88           H        TYR  88  -5.412  -5.828  -5.489
  579    HA   TYR  88           HA       TYR  88  -3.902  -4.644  -6.716
  580    HB2  TYR  88           HB2      TYR  88  -2.438  -6.499  -6.055
  581    HB3  TYR  88           HB3      TYR  88  -2.957  -7.431  -7.451
  582    HD1  TYR  88           HD2      TYR  88  -1.774  -3.896  -7.041
  583    HD2  TYR  88           HD1      TYR  88  -1.215  -7.677  -8.916
  584    HE1  TYR  88           HE2      TYR  88   0.079  -2.961  -8.363
  585    HE2  TYR  88           HE1      TYR  88   0.634  -6.754 -10.240
  586    HH   TYR  88           HH       TYR  88   1.415  -4.579 -11.046
  587    H    SER  89           H        SER  89  -6.453  -5.233  -7.854
  588    HA   SER  89           HA       SER  89  -7.655  -5.070  -9.760
  589    HB2  SER  89           HB2      SER  89  -5.090  -3.944 -10.904
  590    HB3  SER  89           HB3      SER  89  -6.709  -3.735 -11.574
  591    HG   SER  89           HG       SER  89  -6.970  -2.136 -10.257
  592    H    GLY  90           H        GLY  90  -7.438  -7.489  -9.582
  593    HA2  GLY  90           HA1      GLY  90  -7.015  -8.580 -12.164
  594    HA3  GLY  90           HA2      GLY  90  -5.692  -9.027 -11.096
  595    H    GLY  91           H        GLY  91  -6.464  -9.891  -8.893
  596    HA2  GLY  91           HA1      GLY  91  -8.752 -11.700  -9.374
  597    HA3  GLY  91           HA2      GLY  91  -7.345 -12.126  -8.408
  598    HA   PRO  92           HA       PRO  92 -10.659  -9.054  -6.269
  599    HB2  PRO  92           HB2      PRO  92 -12.562 -11.352  -6.323
  600    HB3  PRO  92           HB3      PRO  92 -12.888  -9.615  -6.377
  601    HG2  PRO  92           HG2      PRO  92 -13.041 -11.052  -8.593
  602    HG3  PRO  92           HG3      PRO  92 -12.302  -9.438  -8.622
  603    HD2  PRO  92           HD2      PRO  92 -10.992 -12.126  -8.675
  604    HD3  PRO  92           HD3      PRO  92 -10.540 -10.632  -9.525
  605    H    PHE  93           H        PHE  93  -9.719  -9.035  -4.389
  606    HA   PHE  93           HA       PHE  93  -9.218  -9.470  -2.242
  607    HB2  PHE  93           HB2      PHE  93 -11.096 -11.808  -2.555
  608    HB3  PHE  93           HB3      PHE  93 -10.346 -11.309  -1.039
  609    HD1  PHE  93           HD2      PHE  93 -10.843  -8.977  -0.176
  610    HD2  PHE  93           HD1      PHE  93 -13.075 -10.821  -3.297
  611    HE1  PHE  93           HE2      PHE  93 -12.690  -7.399   0.217
  612    HE2  PHE  93           HE1      PHE  93 -14.923  -9.246  -2.911
  613    HZ   PHE  93           HZ       PHE  93 -14.733  -7.533  -1.152
  614    H    SER  94           H        SER  94  -8.054 -11.132  -4.711
  615    HA   SER  94           HA       SER  94  -6.655 -13.213  -3.358
  616    HB2  SER  94           HB2      SER  94  -5.999 -11.736  -5.917
  617    HB3  SER  94           HB3      SER  94  -5.092 -13.129  -5.310
  618    HG   SER  94           HG       SER  94  -7.014 -14.360  -5.485
  619    H    VAL  95           H        VAL  95  -5.799 -12.398  -1.496
  620    HA   VAL  95           HA       VAL  95  -4.299 -10.063  -1.305
  621    HB   VAL  95           HB       VAL  95  -5.054 -11.036   0.722
  622   HG11  VAL  95          2HG1      VAL  95  -3.435 -13.488   0.060
  623   HG12  VAL  95          1HG1      VAL  95  -5.193 -13.356   0.024
  624   HG13  VAL  95          3HG1      VAL  95  -4.330 -13.212   1.555
  625   HG21  VAL  95          3HG2      VAL  95  -2.938  -9.868   0.907
  626   HG22  VAL  95          2HG2      VAL  95  -2.063 -11.365   0.581
  627   HG23  VAL  95          1HG2      VAL  95  -3.013 -11.203   2.058
  628    H    SER  96           H        SER  96  -2.723  -9.729  -2.786
  629    HA   SER  96           HA       SER  96  -0.991 -11.850  -3.656
  630    HB2  SER  96           HB2      SER  96  -0.842  -8.874  -4.202
  631    HB3  SER  96           HB3      SER  96   0.059 -10.127  -5.054
  632    HG   SER  96           HG       SER  96  -2.771 -10.095  -4.919
  633    H    SER  97           H        SER  97   0.085 -12.565  -1.902
  634    HA   SER  97           HA       SER  97   1.506 -10.825  -0.125
  635    HB2  SER  97           HB2      SER  97   1.804 -13.813  -0.525
  636    HB3  SER  97           HB3      SER  97   2.359 -12.884   0.870
  637    HG   SER  97           HG       SER  97   0.131 -12.321   1.228
  638    H    ARG  98           H        ARG  98   3.277  -9.753  -0.668
  639    HA   ARG  98           HA       ARG  98   5.109 -10.959  -2.647
  640    HB2  ARG  98           HB2      ARG  98   4.660  -8.026  -2.050
  641    HB3  ARG  98           HB3      ARG  98   5.808  -8.667  -3.215
  642    HG2  ARG  98           HG2      ARG  98   2.831  -9.055  -3.380
  643    HG3  ARG  98           HG3      ARG  98   3.720  -7.777  -4.207
  644    HD2  ARG  98           HD2      ARG  98   3.439  -9.469  -5.810
  645    HD3  ARG  98           HD3      ARG  98   5.105  -9.628  -5.257
  646    HE   ARG  98           HE       ARG  98   3.737 -11.356  -3.664
  647   HH11  ARG  98          2HH1      ARG  98   4.011 -10.921  -7.134
  648   HH12  ARG  98          1HH1      ARG  98   3.661 -12.592  -7.490
  649   HH21  ARG  98          2HH2      ARG  98   3.315 -13.540  -4.127
  650   HH22  ARG  98          1HH2      ARG  98   3.297 -14.087  -5.778
  651    H    THR  99           H        THR  99   7.385 -10.268  -2.409
  652    HA   THR  99           HA       THR  99   8.138  -9.664   0.356
  653    HB   THR  99           HB       THR  99   9.377 -11.895  -1.278
  654    HG1  THR  99           HG1      THR  99   7.135 -11.896   0.073
  655   HG21  THR  99          3HG2      THR  99  10.964 -10.798   0.243
  656   HG22  THR  99          1HG2      THR  99  10.574 -12.424   0.803
  657   HG23  THR  99          2HG2      THR  99   9.840 -11.024   1.584
  658    H    ILE 100           H        ILE 100   9.239  -7.841   0.215
  659    HA   ILE 100           HA       ILE 100  10.585  -7.099  -2.242
  660    HB   ILE 100           HB       ILE 100  10.340  -5.595   0.366
  661   HG12  ILE 100          2HG1      ILE 100   8.155  -5.916  -0.651
  662   HG13  ILE 100          3HG1      ILE 100   8.659  -4.234  -0.828
  663   HG21  ILE 100          2HG2      ILE 100  11.306  -4.720  -2.342
  664   HG22  ILE 100          1HG2      ILE 100  12.247  -4.818  -0.854
  665   HG23  ILE 100          3HG2      ILE 100  10.954  -3.627  -1.007
  666   HD11  ILE 100          3HD1      ILE 100   9.275  -4.648  -3.139
  667   HD12  ILE 100          2HD1      ILE 100   7.594  -5.096  -2.852
  668   HD13  ILE 100          1HD1      ILE 100   8.834  -6.347  -2.971
  669    H    SER 101           H        SER 101  12.691  -7.354  -2.613
  670    HA   SER 101           HA       SER 101  14.491  -8.228  -0.534
  671    HB2  SER 101           HB2      SER 101  15.002  -7.464  -3.423
  672    HB3  SER 101           HB3      SER 101  16.189  -8.203  -2.344
  673    HG   SER 101           HG       SER 101  14.553  -9.938  -2.101
  674    H    ALA 102           H        ALA 102  16.026  -7.023   0.511
  675    HA   ALA 102           HA       ALA 102  15.513  -4.405   1.121
  676    HB1  ALA 102           HB1      ALA 102  18.209  -5.737   1.235
  677    HB2  ALA 102           HB2      ALA 102  17.702  -4.321   2.158
  678    HB3  ALA 102           HB3      ALA 102  16.937  -5.884   2.446
  679    H    SER 103           H        SER 103  17.734  -5.570  -1.377
  680    HA   SER 103           HA       SER 103  19.016  -3.181  -1.979
  681    HB2  SER 103           HB2      SER 103  19.316  -4.241  -4.280
  682    HB3  SER 103           HB3      SER 103  19.880  -5.187  -2.903
  683    HG   SER 103           HG       SER 103  18.497  -6.238  -4.615
  684    H    GLU 104           H        GLU 104  15.937  -4.434  -3.214
  685    HA   GLU 104           HA       GLU 104  15.573  -1.981  -4.772
  686    HB2  GLU 104           HB2      GLU 104  15.084  -4.437  -5.566
  687    HB3  GLU 104           HB3      GLU 104  13.573  -4.207  -4.697
  688    HG2  GLU 104           HG2      GLU 104  12.882  -2.484  -6.113
  689    HG3  GLU 104           HG3      GLU 104  14.509  -2.229  -6.741
  690    H    ALA 105           H        ALA 105  14.797  -3.310  -1.760
  691    HA   ALA 105           HA       ALA 105  12.346  -2.029  -1.203
  692    HB1  ALA 105           HB1      ALA 105  12.976  -2.268   1.164
  693    HB2  ALA 105           HB2      ALA 105  13.239  -3.758   0.256
  694    HB3  ALA 105           HB3      ALA 105  14.606  -2.726   0.672
  695    H    GLY 106           H        GLY 106  15.694  -0.984  -1.060
  696    HA2  GLY 106           HA1      GLY 106  15.192   1.587   0.047
  697    HA3  GLY 106           HA2      GLY 106  16.622   1.113  -0.860
  698    H    ASN 107           H        ASN 107  14.410   0.299  -2.966
  699    HA   ASN 107           HA       ASN 107  14.642   2.760  -4.476
  700    HB2  ASN 107           HB2      ASN 107  14.999   0.761  -5.725
  701    HB3  ASN 107           HB3      ASN 107  13.522   0.025  -5.108
  702   HD21  ASN 107          1HD2      ASN 107  11.486   0.764  -5.929
  703   HD22  ASN 107          2HD2      ASN 107  11.399   1.569  -7.451
  704    H    TYR 108           H        TYR 108  12.011   0.729  -3.189
  705    HA   TYR 108           HA       TYR 108   9.968   2.277  -4.418
  706    HB2  TYR 108           HB2      TYR 108   9.691   0.419  -2.071
  707    HB3  TYR 108           HB3      TYR 108   8.433   0.907  -3.194
  708    HD1  TYR 108           HD2      TYR 108   8.920   0.225  -5.734
  709    HD2  TYR 108           HD1      TYR 108  10.668  -1.615  -2.322
  710    HE1  TYR 108           HE2      TYR 108   9.313  -1.826  -7.042
  711    HE2  TYR 108           HE1      TYR 108  11.062  -3.658  -3.617
  712    HH   TYR 108           HH       TYR 108  10.993  -3.845  -6.872
  713    H    ASN 109           H        ASN 109   8.638   3.815  -3.577
  714    HA   ASN 109           HA       ASN 109   9.475   5.132  -1.127
  715    HB2  ASN 109           HB2      ASN 109   7.359   5.822  -3.183
  716    HB3  ASN 109           HB3      ASN 109   7.664   6.777  -1.736
  717   HD21  ASN 109          1HD2      ASN 109   9.482   8.002  -1.590
  718   HD22  ASN 109          2HD2      ASN 109  10.492   8.365  -2.948
  719    H    TYR 110           H        TYR 110   7.954   5.614   0.576
  720    HA   TYR 110           HA       TYR 110   5.400   4.215   0.510
  721    HB2  TYR 110           HB2      TYR 110   5.672   2.992   2.471
  722    HB3  TYR 110           HB3      TYR 110   7.232   2.785   1.688
  723    HD1  TYR 110           HD1      TYR 110   9.145   4.281   2.455
  724    HD2  TYR 110           HD2      TYR 110   5.516   3.858   4.618
  725    HE1  TYR 110           HE1      TYR 110  10.254   5.129   4.472
  726    HE2  TYR 110           HE2      TYR 110   6.614   4.714   6.647
  727    HH   TYR 110           HH       TYR 110   9.130   4.764   7.493
  728    H    ILE 111           H        ILE 111   3.881   5.119   2.106
  729    HA   ILE 111           HA       ILE 111   4.711   7.840   2.849
  730    HB   ILE 111           HB       ILE 111   2.479   8.634   2.325
  731   HG12  ILE 111          2HG1      ILE 111   1.910   5.813   1.382
  732   HG13  ILE 111          3HG1      ILE 111   1.255   6.533   2.844
  733   HG21  ILE 111          2HG2      ILE 111   2.545   8.344  -0.118
  734   HG22  ILE 111          1HG2      ILE 111   3.686   7.014   0.081
  735   HG23  ILE 111          3HG2      ILE 111   4.147   8.650   0.555
  736   HD11  ILE 111          3HD1      ILE 111  -0.397   6.574   1.099
  737   HD12  ILE 111          2HD1      ILE 111   0.720   7.403   0.011
  738   HD13  ILE 111          1HD1      ILE 111   0.114   8.224   1.453
  739    H    HIS 112           H        HIS 112   4.150   8.565   4.855
  740    HA   HIS 112           HA       HIS 112   2.306   7.024   6.467
  741    HB2  HIS 112           HB2      HIS 112   3.824   6.465   8.227
  742    HB3  HIS 112           HB3      HIS 112   4.538   5.881   6.731
  743    HD1  HIS 112           HD1      HIS 112   4.985   8.437   9.428
  744    HD2  HIS 112           HD2      HIS 112   7.006   7.058   6.043
  745    HE1  HIS 112           HE1      HIS 112   7.281   9.430   9.561
  746    HE2  HIS 112           HE2      HIS 112   8.555   8.355   7.681
  747    H    ILE 113           H        ILE 113   1.534   8.166   8.262
  748    HA   ILE 113           HA       ILE 113   1.723  10.993   8.126
  749    HB   ILE 113           HB       ILE 113   0.376  10.811  10.292
  750   HG12  ILE 113          2HG1      ILE 113   0.274   7.918   9.443
  751   HG13  ILE 113          3HG1      ILE 113   1.103   8.522  10.873
  752   HG21  ILE 113          2HG2      ILE 113  -0.689   9.567   7.768
  753   HG22  ILE 113          1HG2      ILE 113  -0.625  11.291   8.136
  754   HG23  ILE 113          3HG2      ILE 113  -1.668  10.227   9.078
  755   HD11  ILE 113          3HD1      ILE 113  -1.036   7.530  11.445
  756   HD12  ILE 113          2HD1      ILE 113  -1.863   8.654  10.365
  757   HD13  ILE 113          1HD1      ILE 113  -1.030   9.259  11.797
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -9.858  12.582   9.771
    2    H2   GLY   1           H2       GLY   1  -9.987  13.876  10.856
    3    H3   GLY   1           H3       GLY   1  -8.633  13.752   9.841
    4    HA2  GLY   1           HA2      GLY   1 -10.103  15.435   8.998
    5    HA3  GLY   1           HA1      GLY   1 -10.042  14.067   7.894
    6    H    SER   2           H        SER   2 -12.114  16.227   8.716
    7    HA   SER   2           HA       SER   2 -14.313  14.582   9.670
    8    HB2  SER   2           HB2      SER   2 -14.292  17.499   8.857
    9    HB3  SER   2           HB3      SER   2 -15.562  16.668   9.756
   10    HG   SER   2           HG       SER   2 -13.416  17.868  10.719
   11    H    SER   3           H        SER   3 -12.893  14.833   6.815
   12    HA   SER   3           HA       SER   3 -14.981  15.303   4.978
   13    HB2  SER   3           HB2      SER   3 -13.357  13.840   3.511
   14    HB3  SER   3           HB3      SER   3 -12.862  15.449   4.044
   15    HG   SER   3           HG       SER   3 -11.415  13.462   4.393
   16    H    ILE   4           H        ILE   4 -14.167  12.605   6.962
   17    HA   ILE   4           HA       ILE   4 -16.310  11.056   5.675
   18    HB   ILE   4           HB       ILE   4 -15.130   8.982   6.430
   19   HG12  ILE   4          2HG1      ILE   4 -12.810  10.879   6.870
   20   HG13  ILE   4          3HG1      ILE   4 -13.686  10.026   8.136
   21   HG21  ILE   4          2HG2      ILE   4 -13.616  10.697   4.464
   22   HG22  ILE   4          1HG2      ILE   4 -15.050   9.734   4.107
   23   HG23  ILE   4          3HG2      ILE   4 -13.547   8.939   4.577
   24   HD11  ILE   4          3HD1      ILE   4 -12.924   7.893   7.232
   25   HD12  ILE   4          2HD1      ILE   4 -11.567   8.942   7.644
   26   HD13  ILE   4          1HD1      ILE   4 -12.050   8.744   5.960
   27    H    SER   5           H        SER   5 -17.756  10.046   7.039
   28    HA   SER   5           HA       SER   5 -17.326  10.352   9.928
   29    HB2  SER   5           HB2      SER   5 -18.830  12.145   9.251
   30    HB3  SER   5           HB3      SER   5 -19.869  10.997   8.411
   31    HG   SER   5           HG       SER   5 -19.670  11.586  11.107
   32    H    HIS   6           H        HIS   6 -19.951   9.061   7.900
   33    HA   HIS   6           HA       HIS   6 -19.641   6.474   9.290
   34    HB2  HIS   6           HB2      HIS   6 -22.040   7.531   7.765
   35    HB3  HIS   6           HB3      HIS   6 -21.967   6.027   8.675
   36    HD1  HIS   6           HD1      HIS   6 -23.695   8.880   9.045
   37    HD2  HIS   6           HD2      HIS   6 -20.824   7.147  11.515
   38    HE1  HIS   6           HE1      HIS   6 -24.101   9.831  11.340
   39    HE2  HIS   6           HE2      HIS   6 -22.470   8.643  12.842
   40    H    SER   7           H        SER   7 -18.439   7.832   6.782
   41    HA   SER   7           HA       SER   7 -19.256   6.417   4.499
   42    HB2  SER   7           HB2      SER   7 -16.513   7.579   4.974
   43    HB3  SER   7           HB3      SER   7 -17.378   7.421   3.443
   44    HG   SER   7           HG       SER   7 -18.947   8.917   4.332
   45    H    GLY   8           H        GLY   8 -16.679   5.830   6.858
   46    HA2  GLY   8           HA1      GLY   8 -15.416   3.959   7.283
   47    HA3  GLY   8           HA2      GLY   8 -16.576   3.049   6.322
   48    H    ASN   9           H        ASN   9 -15.603   2.006   4.719
   49    HA   ASN   9           HA       ASN   9 -13.206   3.137   3.501
   50    HB2  ASN   9           HB2      ASN   9 -13.458   0.670   4.138
   51    HB3  ASN   9           HB3      ASN   9 -14.542   0.536   2.758
   52   HD21  ASN   9          1HD2      ASN   9 -11.929  -0.682   3.323
   53   HD22  ASN   9          2HD2      ASN   9 -10.939  -0.284   1.954
   54    H    LEU  10           H        LEU  10 -13.124   3.962   1.487
   55    HA   LEU  10           HA       LEU  10 -15.721   4.669   0.354
   56    HB2  LEU  10           HB2      LEU  10 -12.980   5.840  -0.054
   57    HB3  LEU  10           HB3      LEU  10 -14.443   6.444  -0.813
   58    HG   LEU  10           HG       LEU  10 -13.876   6.425   2.156
   59   HD11  LEU  10          2HD1      LEU  10 -13.978   8.683   0.158
   60   HD12  LEU  10          1HD1      LEU  10 -12.541   8.076   0.983
   61   HD13  LEU  10          3HD1      LEU  10 -13.820   8.868   1.904
   62   HD21  LEU  10          3HD2      LEU  10 -16.221   7.549   0.628
   63   HD22  LEU  10          2HD2      LEU  10 -15.943   7.692   2.363
   64   HD23  LEU  10          1HD2      LEU  10 -16.251   6.110   1.647
   65    H    TYR  11           H        TYR  11 -13.220   2.507  -0.304
   66    HA   TYR  11           HA       TYR  11 -13.384   2.895  -3.187
   67    HB2  TYR  11           HB2      TYR  11 -11.226   2.402  -1.720
   68    HB3  TYR  11           HB3      TYR  11 -11.706   0.731  -2.003
   69    HD1  TYR  11           HD2      TYR  11 -11.238   3.913  -3.910
   70    HD2  TYR  11           HD1      TYR  11 -10.868  -0.324  -3.888
   71    HE1  TYR  11           HE2      TYR  11 -10.209   3.997  -6.140
   72    HE2  TYR  11           HE1      TYR  11  -9.845  -0.250  -6.122
   73    HH   TYR  11           HH       TYR  11  -8.720   2.604  -7.550
   74    H    THR  12           H        THR  12 -12.810   0.124  -3.839
   75    HA   THR  12           HA       THR  12 -15.556  -0.571  -4.269
   76    HB   THR  12           HB       THR  12 -13.212  -2.274  -5.077
   77    HG1  THR  12           HG1      THR  12 -14.133   0.148  -6.295
   78   HG21  THR  12          3HG2      THR  12 -15.837  -1.638  -6.429
   79   HG22  THR  12          1HG2      THR  12 -15.462  -3.121  -5.552
   80   HG23  THR  12          2HG2      THR  12 -14.593  -2.732  -7.036
   81    H    ALA  13           H        ALA  13 -13.320  -3.187  -3.882
   82    HA   ALA  13           HA       ALA  13 -13.911  -3.978  -1.261
   83    HB1  ALA  13           HB1      ALA  13 -15.527  -5.406  -3.374
   84    HB2  ALA  13           HB2      ALA  13 -15.441  -5.831  -1.665
   85    HB3  ALA  13           HB3      ALA  13 -16.178  -4.306  -2.157
   86    H    GLY  14           H        GLY  14 -12.030  -4.929  -0.863
   87    HA2  GLY  14           HA1      GLY  14 -10.275  -6.405  -1.015
   88    HA3  GLY  14           HA2      GLY  14 -11.225  -7.303  -2.188
   89    H    GLN  15           H        GLN  15 -10.120  -3.955  -2.383
   90    HA   GLN  15           HA       GLN  15  -8.682  -4.645  -4.862
   91    HB2  GLN  15           HB2      GLN  15  -9.561  -1.896  -3.969
   92    HB3  GLN  15           HB3      GLN  15  -8.996  -2.371  -5.564
   93    HG2  GLN  15           HG2      GLN  15 -11.508  -3.455  -4.326
   94    HG3  GLN  15           HG3      GLN  15 -11.471  -2.001  -5.320
   95   HE21  GLN  15          1HE2      GLN  15  -9.495  -2.958  -7.161
   96   HE22  GLN  15          2HE2      GLN  15 -10.249  -4.173  -8.133
   97    H    CYS  16           H        CYS  16  -6.789  -3.073  -5.288
   98    HA   CYS  16           HA       CYS  16  -4.798  -3.521  -3.378
   99    HB2  CYS  16           HB2      CYS  16  -3.520  -1.757  -4.716
  100    HB3  CYS  16           HB3      CYS  16  -4.083  -3.181  -5.585
  101    HG   CYS  16           HG       CYS  16  -6.087  -1.966  -6.950
  102    H    THR  17           H        THR  17  -6.240  -0.357  -4.219
  103    HA   THR  17           HA       THR  17  -5.057   0.856  -1.888
  104    HB   THR  17           HB       THR  17  -6.305   2.901  -2.705
  105    HG1  THR  17           HG1      THR  17  -7.190   2.698  -4.839
  106   HG21  THR  17          3HG2      THR  17  -3.977   2.498  -3.308
  107   HG22  THR  17          1HG2      THR  17  -4.850   3.222  -4.658
  108   HG23  THR  17          2HG2      THR  17  -4.489   1.497  -4.667
  109    H    TRP  18           H        TRP  18  -7.504  -1.165  -2.088
  110    HA   TRP  18           HA       TRP  18  -9.364   0.270  -0.343
  111    HB2  TRP  18           HB2      TRP  18 -10.290  -0.982  -2.255
  112    HB3  TRP  18           HB3      TRP  18  -9.550  -2.454  -1.646
  113    HD1  TRP  18           HD1      TRP  18 -12.538  -0.166  -1.131
  114    HE1  TRP  18           HE1      TRP  18 -14.219  -1.335   0.433
  115    HE3  TRP  18           HE3      TRP  18  -9.657  -4.119   0.381
  116    HZ2  TRP  18           HZ2      TRP  18 -14.305  -3.597   2.098
  117    HZ3  TRP  18           HZ3      TRP  18 -10.618  -5.729   1.970
  118    HH2  TRP  18           HH2      TRP  18 -12.893  -5.474   2.813
  119    H    TYR  19           H        TYR  19  -7.568  -2.795  -0.503
  120    HA   TYR  19           HA       TYR  19  -8.106  -3.577   2.162
  121    HB2  TYR  19           HB2      TYR  19  -7.436  -5.205   0.509
  122    HB3  TYR  19           HB3      TYR  19  -5.914  -4.367   0.236
  123    HD1  TYR  19           HD1      TYR  19  -7.825  -6.249   2.811
  124    HD2  TYR  19           HD2      TYR  19  -4.016  -4.923   1.467
  125    HE1  TYR  19           HE1      TYR  19  -6.739  -7.676   4.495
  126    HE2  TYR  19           HE2      TYR  19  -2.920  -6.345   3.140
  127    HH   TYR  19           HH       TYR  19  -4.535  -8.792   4.820
  128    H    VAL  20           H        VAL  20  -5.385  -1.926   0.645
  129    HA   VAL  20           HA       VAL  20  -3.749  -1.611   2.879
  130    HB   VAL  20           HB       VAL  20  -4.131   0.181   0.474
  131   HG11  VAL  20          2HG1      VAL  20  -3.180   1.491   2.282
  132   HG12  VAL  20          1HG1      VAL  20  -1.956   1.164   1.054
  133   HG13  VAL  20          3HG1      VAL  20  -1.958   0.251   2.563
  134   HG21  VAL  20          3HG2      VAL  20  -2.057  -0.865  -0.307
  135   HG22  VAL  20          2HG2      VAL  20  -3.325  -2.062  -0.037
  136   HG23  VAL  20          1HG2      VAL  20  -2.025  -1.873   1.141
  137    H    TYR  21           H        TYR  21  -6.544   0.221   1.800
  138    HA   TYR  21           HA       TYR  21  -6.207   2.385   3.610
  139    HB2  TYR  21           HB2      TYR  21  -7.520   2.462   1.463
  140    HB3  TYR  21           HB3      TYR  21  -8.759   1.501   2.260
  141    HD1  TYR  21           HD1      TYR  21  -6.814   4.633   2.819
  142    HD2  TYR  21           HD2      TYR  21 -10.534   2.606   3.208
  143    HE1  TYR  21           HE1      TYR  21  -7.834   6.688   3.680
  144    HE2  TYR  21           HE2      TYR  21 -11.571   4.661   4.067
  145    HH   TYR  21           HH       TYR  21 -10.821   6.769   5.212
  146    H    ASP  22           H        ASP  22  -7.975  -0.667   3.706
  147    HA   ASP  22           HA       ASP  22  -9.338  -0.110   6.145
  148    HB2  ASP  22           HB2      ASP  22 -10.114  -1.872   4.609
  149    HB3  ASP  22           HB3      ASP  22  -8.644  -2.791   4.923
  150    H    LYS  23           H        LYS  23  -6.256  -1.621   5.345
  151    HA   LYS  23           HA       LYS  23  -5.734  -2.672   7.919
  152    HB2  LYS  23           HB2      LYS  23  -3.926  -2.019   5.601
  153    HB3  LYS  23           HB3      LYS  23  -3.339  -2.758   7.087
  154    HG2  LYS  23           HG2      LYS  23  -5.483  -3.928   5.324
  155    HG3  LYS  23           HG3      LYS  23  -3.778  -4.378   5.277
  156    HD2  LYS  23           HD2      LYS  23  -5.617  -4.658   7.655
  157    HD3  LYS  23           HD3      LYS  23  -5.080  -5.971   6.602
  158    HE2  LYS  23           HE2      LYS  23  -2.740  -5.446   7.239
  159    HE3  LYS  23           HE3      LYS  23  -3.355  -4.250   8.379
  160    HZ1  LYS  23           HZ1      LYS  23  -3.837  -7.181   8.448
  161    HZ2  LYS  23           HZ2      LYS  23  -4.568  -6.067   9.495
  162    HZ3  LYS  23           HZ3      LYS  23  -2.888  -6.282   9.527
  163    H    VAL  24           H        VAL  24  -5.562   0.532   6.735
  164    HA   VAL  24           HA       VAL  24  -3.865   1.317   9.002
  165    HB   VAL  24           HB       VAL  24  -3.711   3.531   7.939
  166   HG11  VAL  24          2HG1      VAL  24  -2.306   2.862   6.048
  167   HG12  VAL  24          1HG1      VAL  24  -2.987   1.238   6.122
  168   HG13  VAL  24          3HG1      VAL  24  -2.020   1.850   7.464
  169   HG21  VAL  24          3HG2      VAL  24  -5.816   3.621   6.770
  170   HG22  VAL  24          2HG2      VAL  24  -5.345   2.265   5.745
  171   HG23  VAL  24          1HG2      VAL  24  -4.498   3.806   5.613
  172    H    GLY  25           H        GLY  25  -6.944   0.675   8.599
  173    HA2  GLY  25           HA1      GLY  25  -8.742   1.127   9.962
  174    HA3  GLY  25           HA2      GLY  25  -7.724   2.244  10.855
  175    H    GLY  26           H        GLY  26  -7.735   2.948   7.549
  176    HA2  GLY  26           HA1      GLY  26  -8.881   4.515   6.284
  177    HA3  GLY  26           HA2      GLY  26 -10.097   4.597   7.549
  178    H    GLU  27           H        GLU  27  -7.064   4.994   8.888
  179    HA   GLU  27           HA       GLU  27  -7.469   7.731   9.516
  180    HB2  GLU  27           HB2      GLU  27  -6.220   6.300  11.021
  181    HB3  GLU  27           HB3      GLU  27  -5.030   5.960   9.773
  182    HG2  GLU  27           HG2      GLU  27  -4.384   8.343   9.793
  183    HG3  GLU  27           HG3      GLU  27  -5.520   8.608  11.116
  184    H    ILE  28           H        ILE  28  -5.522   6.031   7.158
  185    HA   ILE  28           HA       ILE  28  -4.707   8.609   6.019
  186    HB   ILE  28           HB       ILE  28  -2.608   8.025   6.478
  187   HG12  ILE  28          2HG1      ILE  28  -3.049   7.164   3.987
  188   HG13  ILE  28          3HG1      ILE  28  -1.471   7.024   4.762
  189   HG21  ILE  28          2HG2      ILE  28  -3.530   5.199   6.938
  190   HG22  ILE  28          1HG2      ILE  28  -3.285   6.451   8.155
  191   HG23  ILE  28          3HG2      ILE  28  -1.906   5.801   7.267
  192   HD11  ILE  28          3HD1      ILE  28  -3.554   4.868   4.450
  193   HD12  ILE  28          2HD1      ILE  28  -2.070   4.691   5.389
  194   HD13  ILE  28          1HD1      ILE  28  -1.983   4.970   3.649
  195    H    GLY  29           H        GLY  29  -5.150   8.923   3.910
  196    HA2  GLY  29           HA1      GLY  29  -4.731   7.815   1.709
  197    HA3  GLY  29           HA2      GLY  29  -5.755   6.525   2.309
  198    H    SER  30           H        SER  30  -7.367   6.541   0.974
  199    HA   SER  30           HA       SER  30  -9.271   7.022  -0.071
  200    HB2  SER  30           HB2      SER  30 -10.819   8.655   0.814
  201    HB3  SER  30           HB3      SER  30 -10.051   7.798   2.145
  202    HG   SER  30           HG       SER  30  -8.661   9.620   2.385
  203    H    THR  31           H        THR  31  -7.630  10.161   0.421
  204    HA   THR  31           HA       THR  31  -8.454  10.929  -2.271
  205    HB   THR  31           HB       THR  31  -8.815  12.523  -0.427
  206    HG1  THR  31           HG1      THR  31  -6.967  13.269  -2.459
  207   HG21  THR  31          3HG2      THR  31  -6.899  11.966   0.974
  208   HG22  THR  31          1HG2      THR  31  -6.897  13.687   0.585
  209   HG23  THR  31          2HG2      THR  31  -5.800  12.590  -0.254
  210    H    TRP  32           H        TRP  32  -6.117   9.040  -1.395
  211    HA   TRP  32           HA       TRP  32  -3.812  10.380  -2.506
  212    HB2  TRP  32           HB2      TRP  32  -2.663   8.215  -2.168
  213    HB3  TRP  32           HB3      TRP  32  -3.448   8.802  -0.706
  214    HD1  TRP  32           HD1      TRP  32  -5.535   7.088  -3.372
  215    HE1  TRP  32           HE1      TRP  32  -6.350   4.852  -2.480
  216    HE3  TRP  32           HE3      TRP  32  -2.800   6.927   0.921
  217    HZ2  TRP  32           HZ2      TRP  32  -5.905   3.185  -0.226
  218    HZ3  TRP  32           HZ3      TRP  32  -3.049   4.962   2.398
  219    HH2  TRP  32           HH2      TRP  32  -4.567   3.138   1.835
  220    H    GLY  33           H        GLY  33  -6.483   9.058  -3.872
  221    HA2  GLY  33           HA1      GLY  33  -6.917   8.705  -6.134
  222    HA3  GLY  33           HA2      GLY  33  -5.189   8.838  -6.436
  223    H    ASN  34           H        ASN  34  -4.264   7.091  -7.127
  224    HA   ASN  34           HA       ASN  34  -5.040   4.530  -5.941
  225    HB2  ASN  34           HB2      ASN  34  -4.494   4.964  -8.891
  226    HB3  ASN  34           HB3      ASN  34  -4.707   3.399  -8.115
  227   HD21  ASN  34          1HD2      ASN  34  -6.256   6.264  -9.256
  228   HD22  ASN  34          2HD2      ASN  34  -7.887   5.707  -9.084
  229    H    ALA  35           H        ALA  35  -3.169   2.963  -7.239
  230    HA   ALA  35           HA       ALA  35  -1.120   3.342  -5.371
  231    HB1  ALA  35           HB1      ALA  35  -1.150   1.522  -7.766
  232    HB2  ALA  35           HB2      ALA  35  -0.102   1.378  -6.353
  233    HB3  ALA  35           HB3      ALA  35  -1.844   1.162  -6.184
  234    H    ASN  36           H        ASN  36  -1.346   4.483  -8.639
  235    HA   ASN  36           HA       ASN  36   1.519   4.819  -8.947
  236    HB2  ASN  36           HB2      ASN  36   0.019   4.220 -10.859
  237    HB3  ASN  36           HB3      ASN  36  -0.737   5.801 -10.718
  238   HD21  ASN  36          1HD2      ASN  36   0.749   4.498 -12.905
  239   HD22  ASN  36          2HD2      ASN  36   2.019   5.594 -13.324
  240    H    ASN  37           H        ASN  37  -1.311   6.782  -8.319
  241    HA   ASN  37           HA       ASN  37   0.161   9.271  -8.524
  242    HB2  ASN  37           HB2      ASN  37  -2.356   8.697  -9.156
  243    HB3  ASN  37           HB3      ASN  37  -2.636   9.108  -7.471
  244   HD21  ASN  37          1HD2      ASN  37  -0.686  11.172  -7.272
  245   HD22  ASN  37          2HD2      ASN  37  -1.241  12.509  -8.226
  246    H    TRP  38           H        TRP  38  -0.039   6.970  -6.250
  247    HA   TRP  38           HA       TRP  38  -0.863   7.945  -3.858
  248    HB2  TRP  38           HB2      TRP  38   0.915   5.872  -4.744
  249    HB3  TRP  38           HB3      TRP  38   1.518   6.612  -3.258
  250    HD1  TRP  38           HD1      TRP  38  -2.114   5.706  -4.291
  251    HE1  TRP  38           HE1      TRP  38  -3.093   4.281  -2.422
  252    HE3  TRP  38           HE3      TRP  38   1.994   5.424  -1.291
  253    HZ2  TRP  38           HZ2      TRP  38  -2.217   3.186   0.101
  254    HZ3  TRP  38           HZ3      TRP  38   1.849   4.188   0.812
  255    HH2  TRP  38           HH2      TRP  38  -0.203   3.090   1.475
  256    H    ALA  39           H        ALA  39   2.583   8.058  -4.792
  257    HA   ALA  39           HA       ALA  39   3.406   9.456  -2.535
  258    HB1  ALA  39           HB1      ALA  39   4.964   8.251  -3.947
  259    HB2  ALA  39           HB2      ALA  39   4.690   9.394  -5.264
  260    HB3  ALA  39           HB3      ALA  39   5.473   9.930  -3.778
  261    H    ALA  40           H        ALA  40   2.116  10.662  -5.561
  262    HA   ALA  40           HA       ALA  40   2.786  13.404  -5.037
  263    HB1  ALA  40           HB1      ALA  40   2.499  12.543  -7.328
  264    HB2  ALA  40           HB2      ALA  40   0.788  12.276  -6.995
  265    HB3  ALA  40           HB3      ALA  40   1.444  13.915  -6.988
  266    H    ALA  41           H        ALA  41  -0.205  11.471  -4.897
  267    HA   ALA  41           HA       ALA  41  -1.850  13.611  -4.023
  268    HB1  ALA  41           HB1      ALA  41  -2.719  11.600  -5.151
  269    HB2  ALA  41           HB2      ALA  41  -2.327  10.641  -3.724
  270    HB3  ALA  41           HB3      ALA  41  -3.539  11.920  -3.625
  271    H    ALA  42           H        ALA  42  -0.063  11.093  -2.342
  272    HA   ALA  42           HA       ALA  42  -1.031  11.510   0.254
  273    HB1  ALA  42           HB1      ALA  42   1.722  10.646  -0.622
  274    HB2  ALA  42           HB2      ALA  42   1.041  10.449   0.994
  275    HB3  ALA  42           HB3      ALA  42   0.329   9.592  -0.371
  276    H    GLN  43           H        GLN  43   1.814  12.913  -1.397
  277    HA   GLN  43           HA       GLN  43   2.531  14.651   0.718
  278    HB2  GLN  43           HB2      GLN  43   3.168  14.665  -2.227
  279    HB3  GLN  43           HB3      GLN  43   3.789  15.888  -1.126
  280    HG2  GLN  43           HG2      GLN  43   4.872  14.138   0.196
  281    HG3  GLN  43           HG3      GLN  43   4.260  12.921  -0.926
  282   HE21  GLN  43          1HE2      GLN  43   5.180  12.730  -2.950
  283   HE22  GLN  43          2HE2      GLN  43   6.699  13.459  -3.353
  284    H    GLY  44           H        GLY  44   0.426  15.010  -2.086
  285    HA2  GLY  44           HA1      GLY  44  -0.112  17.757  -1.835
  286    HA3  GLY  44           HA2      GLY  44  -1.185  16.571  -2.566
  287    H    ALA  45           H        ALA  45  -1.431  14.966  -0.163
  288    HA   ALA  45           HA       ALA  45  -3.476  16.474   1.189
  289    HB1  ALA  45           HB1      ALA  45  -2.412  13.705   1.753
  290    HB2  ALA  45           HB2      ALA  45  -3.866  14.416   2.455
  291    HB3  ALA  45           HB3      ALA  45  -3.789  14.096   0.721
  292    H    GLY  46           H        GLY  46  -0.203  15.395   1.875
  293    HA2  GLY  46           HA1      GLY  46   1.002  17.071   3.308
  294    HA3  GLY  46           HA2      GLY  46  -0.331  16.875   4.431
  295    H    PHE  47           H        PHE  47   1.062  14.173   2.675
  296    HA   PHE  47           HA       PHE  47   1.971  13.021   5.204
  297    HB2  PHE  47           HB2      PHE  47   1.950  11.819   2.424
  298    HB3  PHE  47           HB3      PHE  47   2.395  10.971   3.890
  299    HD1  PHE  47           HD1      PHE  47  -0.452  13.194   4.184
  300    HD2  PHE  47           HD2      PHE  47   0.789   9.270   3.146
  301    HE1  PHE  47           HE1      PHE  47  -2.789  12.426   4.319
  302    HE2  PHE  47           HE2      PHE  47  -1.535   8.476   3.284
  303    HZ   PHE  47           HZ       PHE  47  -3.330  10.064   3.871
  304    H    THR  48           H        THR  48   4.137  11.952   5.226
  305    HA   THR  48           HA       THR  48   6.103  13.437   3.594
  306    HB   THR  48           HB       THR  48   6.737  11.925   6.127
  307    HG1  THR  48           HG1      THR  48   5.468  13.464   6.986
  308   HG21  THR  48          3HG2      THR  48   8.617  12.480   4.674
  309   HG22  THR  48          1HG2      THR  48   8.685  13.419   6.164
  310   HG23  THR  48          2HG2      THR  48   8.132  14.175   4.670
  311    H    VAL  49           H        VAL  49   6.995  12.232   1.990
  312    HA   VAL  49           HA       VAL  49   6.976   9.318   2.404
  313    HB   VAL  49           HB       VAL  49   6.345   8.900   0.286
  314   HG11  VAL  49          2HG1      VAL  49   4.600  10.331   1.149
  315   HG12  VAL  49          1HG1      VAL  49   4.758  10.525  -0.595
  316   HG13  VAL  49          3HG1      VAL  49   5.411  11.752   0.490
  317   HG21  VAL  49          3HG2      VAL  49   8.277   9.673  -0.860
  318   HG22  VAL  49          2HG2      VAL  49   7.819  11.364  -0.621
  319   HG23  VAL  49          1HG2      VAL  49   6.868  10.333  -1.689
  320    H    ASN  50           H        ASN  50   8.784   8.207   2.253
  321    HA   ASN  50           HA       ASN  50  11.080   9.370   0.848
  322    HB2  ASN  50           HB2      ASN  50  11.393   7.442   3.164
  323    HB3  ASN  50           HB3      ASN  50  12.628   8.430   2.401
  324   HD21  ASN  50          1HD2      ASN  50  10.333   8.189   4.877
  325   HD22  ASN  50          2HD2      ASN  50  10.542   9.760   5.558
  326    H    HIS  51           H        HIS  51  12.355   6.669   1.458
  327    HA   HIS  51           HA       HIS  51  10.424   4.803   0.449
  328    HB2  HIS  51           HB2      HIS  51  11.983   3.996  -1.408
  329    HB3  HIS  51           HB3      HIS  51  11.129   5.502  -1.699
  330    HD1  HIS  51           HD1      HIS  51  12.537   7.645  -1.922
  331    HD2  HIS  51           HD2      HIS  51  14.780   4.218  -1.189
  332    HE1  HIS  51           HE1      HIS  51  14.921   8.277  -2.403
  333    HE2  HIS  51           HE2      HIS  51  16.229   6.147  -2.134
  334    H    THR  52           H        THR  52  10.669   3.808   2.375
  335    HA   THR  52           HA       THR  52  12.825   1.927   2.601
  336    HB   THR  52           HB       THR  52  12.482   4.025   4.776
  337    HG1  THR  52           HG1      THR  52  14.028   3.991   2.579
  338   HG21  THR  52          3HG2      THR  52  14.383   2.881   5.856
  339   HG22  THR  52          1HG2      THR  52  14.345   1.644   4.600
  340   HG23  THR  52          2HG2      THR  52  12.982   1.821   5.705
  341    HA   PRO  53           HA       PRO  53   8.759   0.236   3.914
  342    HB2  PRO  53           HB2      PRO  53   9.773  -2.353   4.023
  343    HB3  PRO  53           HB3      PRO  53   9.001  -1.616   2.616
  344    HG2  PRO  53           HG2      PRO  53  11.911  -1.893   3.251
  345    HG3  PRO  53           HG3      PRO  53  11.080  -2.088   1.696
  346    HD2  PRO  53           HD2      PRO  53  12.448   0.130   2.223
  347    HD3  PRO  53           HD3      PRO  53  10.887   0.203   1.368
  348    H    SER  54           H        SER  54   7.987  -0.505   5.863
  349    HA   SER  54           HA       SER  54   9.692  -1.332   8.001
  350    HB2  SER  54           HB2      SER  54   9.040   0.694   9.436
  351    HB3  SER  54           HB3      SER  54  10.276   0.964   8.208
  352    HG   SER  54           HG       SER  54   8.144   2.369   8.501
  353    H    LYS  55           H        LYS  55   8.487  -1.971   9.853
  354    HA   LYS  55           HA       LYS  55   6.017  -3.144   9.329
  355    HB2  LYS  55           HB2      LYS  55   7.477  -3.934  11.100
  356    HB3  LYS  55           HB3      LYS  55   7.301  -2.418  11.970
  357    HG2  LYS  55           HG2      LYS  55   4.952  -2.892  12.360
  358    HG3  LYS  55           HG3      LYS  55   5.087  -4.386  11.436
  359    HD2  LYS  55           HD2      LYS  55   5.192  -5.005  13.715
  360    HD3  LYS  55           HD3      LYS  55   6.838  -5.121  13.099
  361    HE2  LYS  55           HE2      LYS  55   5.824  -2.670  14.513
  362    HE3  LYS  55           HE3      LYS  55   6.488  -4.042  15.393
  363    HZ1  LYS  55           HZ1      LYS  55   8.192  -2.423  15.060
  364    HZ2  LYS  55           HZ2      LYS  55   7.899  -2.351  13.394
  365    HZ3  LYS  55           HZ3      LYS  55   8.554  -3.762  14.078
  366    H    GLY  56           H        GLY  56   4.192  -2.103   8.843
  367    HA2  GLY  56           HA1      GLY  56   2.258  -1.017   9.816
  368    HA3  GLY  56           HA2      GLY  56   3.353   0.083  10.639
  369    H    ALA  57           H        ALA  57   4.902   0.084   7.947
  370    HA   ALA  57           HA       ALA  57   3.508   2.408   6.907
  371    HB1  ALA  57           HB1      ALA  57   5.949   2.454   7.228
  372    HB2  ALA  57           HB2      ALA  57   6.114   1.180   6.021
  373    HB3  ALA  57           HB3      ALA  57   5.485   2.761   5.554
  374    H    ILE  58           H        ILE  58   3.944   2.440   4.260
  375    HA   ILE  58           HA       ILE  58   2.764  -0.031   3.219
  376    HB   ILE  58           HB       ILE  58   1.805   2.722   2.445
  377   HG12  ILE  58          2HG1      ILE  58   0.437   0.684   4.199
  378   HG13  ILE  58          3HG1      ILE  58   1.279   2.092   4.818
  379   HG21  ILE  58          2HG2      ILE  58  -0.038   1.409   1.416
  380   HG22  ILE  58          1HG2      ILE  58   0.846  -0.067   1.811
  381   HG23  ILE  58          3HG2      ILE  58   1.539   1.111   0.690
  382   HD11  ILE  58          3HD1      ILE  58  -1.157   2.095   3.064
  383   HD12  ILE  58          2HD1      ILE  58  -0.295   3.532   3.614
  384   HD13  ILE  58          1HD1      ILE  58  -1.092   2.477   4.783
  385    H    LEU  59           H        LEU  59   3.539  -0.697   1.363
  386    HA   LEU  59           HA       LEU  59   5.879   0.508   0.238
  387    HB2  LEU  59           HB2      LEU  59   5.143  -1.993   0.529
  388    HB3  LEU  59           HB3      LEU  59   4.322  -1.737  -0.994
  389    HG   LEU  59           HG       LEU  59   6.658  -0.944  -1.808
  390   HD11  LEU  59          2HD1      LEU  59   7.686  -0.929   0.410
  391   HD12  LEU  59          1HD1      LEU  59   8.504  -2.048  -0.681
  392   HD13  LEU  59          3HD1      LEU  59   7.399  -2.664   0.549
  393   HD21  LEU  59          3HD2      LEU  59   5.974  -3.828  -1.255
  394   HD22  LEU  59          2HD2      LEU  59   7.198  -3.275  -2.401
  395   HD23  LEU  59          1HD2      LEU  59   5.499  -2.883  -2.666
  396    H    GLN  60           H        GLN  60   6.065   1.563  -1.749
  397    HA   GLN  60           HA       GLN  60   3.740   1.683  -3.499
  398    HB2  GLN  60           HB2      GLN  60   3.566   3.541  -1.790
  399    HB3  GLN  60           HB3      GLN  60   5.024   4.226  -2.487
  400    HG2  GLN  60           HG2      GLN  60   2.673   3.662  -4.232
  401    HG3  GLN  60           HG3      GLN  60   2.668   5.078  -3.190
  402   HE21  GLN  60          1HE2      GLN  60   2.589   4.987  -6.057
  403   HE22  GLN  60          2HE2      GLN  60   3.991   5.833  -6.627
  404    H    SER  61           H        SER  61   4.200   2.042  -5.578
  405    HA   SER  61           HA       SER  61   6.772   3.131  -6.358
  406    HB2  SER  61           HB2      SER  61   7.118   0.671  -6.324
  407    HB3  SER  61           HB3      SER  61   5.757   0.480  -7.428
  408    HG   SER  61           HG       SER  61   7.848   0.502  -8.458
  409    H    SER  62           H        SER  62   6.458   4.572  -7.948
  410    HA   SER  62           HA       SER  62   3.793   4.830  -9.049
  411    HB2  SER  62           HB2      SER  62   6.226   6.511  -9.682
  412    HB3  SER  62           HB3      SER  62   4.526   6.960  -9.860
  413    HG   SER  62           HG       SER  62   6.108   6.791  -7.554
  414    H    GLU  63           H        GLU  63   6.501   3.097  -9.846
  415    HA   GLU  63           HA       GLU  63   6.237   3.342 -12.721
  416    HB2  GLU  63           HB2      GLU  63   7.967   1.524 -11.037
  417    HB3  GLU  63           HB3      GLU  63   8.026   1.631 -12.792
  418    HG2  GLU  63           HG2      GLU  63   8.629   4.024 -12.576
  419    HG3  GLU  63           HG3      GLU  63   8.704   3.807 -10.827
  420    H    GLY  64           H        GLY  64   4.649   2.341 -13.714
  421    HA2  GLY  64           HA1      GLY  64   4.138  -0.223 -14.098
  422    HA3  GLY  64           HA2      GLY  64   3.413  -0.009 -12.509
  423    HA   PRO  65           HA       PRO  65   0.344   1.118 -15.900
  424    HB2  PRO  65           HB2      PRO  65  -1.633  -0.567 -15.012
  425    HB3  PRO  65           HB3      PRO  65  -0.458  -0.990 -16.262
  426    HG2  PRO  65           HG2      PRO  65  -0.502  -1.722 -13.371
  427    HG3  PRO  65           HG3      PRO  65   0.011  -2.686 -14.766
  428    HD2  PRO  65           HD2      PRO  65   1.752  -1.467 -13.064
  429    HD3  PRO  65           HD3      PRO  65   2.117  -1.776 -14.773
  430    H    PHE  66           H        PHE  66  -0.869   0.020 -12.740
  431    HA   PHE  66           HA       PHE  66  -2.087   2.670 -12.377
  432    HB2  PHE  66           HB2      PHE  66  -2.819  -0.011 -11.174
  433    HB3  PHE  66           HB3      PHE  66  -3.579   1.514 -10.731
  434    HD1  PHE  66           HD2      PHE  66  -5.091   2.639 -12.253
  435    HD2  PHE  66           HD1      PHE  66  -3.276  -1.069 -13.292
  436    HE1  PHE  66           HE2      PHE  66  -6.709   2.362 -14.086
  437    HE2  PHE  66           HE1      PHE  66  -4.889  -1.349 -15.128
  438    HZ   PHE  66           HZ       PHE  66  -6.608   0.370 -15.525
  439    H    GLY  67           H        GLY  67   0.693   1.573 -11.741
  440    HA2  GLY  67           HA1      GLY  67   2.192   2.445 -10.145
  441    HA3  GLY  67           HA2      GLY  67   0.834   2.741  -9.066
  442    H    HIS  68           H        HIS  68   1.839   1.717  -7.300
  443    HA   HIS  68           HA       HIS  68   1.294  -1.082  -7.131
  444    HB2  HIS  68           HB2      HIS  68   3.600  -0.841  -8.337
  445    HB3  HIS  68           HB3      HIS  68   4.206  -0.408  -6.736
  446    HD1  HIS  68           HD1      HIS  68   4.814  -3.034  -8.532
  447    HD2  HIS  68           HD2      HIS  68   2.439  -2.785  -5.121
  448    HE1  HIS  68           HE1      HIS  68   4.745  -5.365  -7.574
  449    HE2  HIS  68           HE2      HIS  68   3.134  -5.226  -5.636
  450    H    VAL  69           H        VAL  69   0.084  -0.422  -5.235
  451    HA   VAL  69           HA       VAL  69   1.877   0.297  -3.027
  452    HB   VAL  69           HB       VAL  69  -0.050   1.167  -1.830
  453   HG11  VAL  69          2HG1      VAL  69   1.237   2.650  -3.235
  454   HG12  VAL  69          1HG1      VAL  69  -0.467   3.106  -3.286
  455   HG13  VAL  69          3HG1      VAL  69   0.250   2.222  -4.633
  456   HG21  VAL  69          3HG2      VAL  69  -1.619   0.467  -4.315
  457   HG22  VAL  69          2HG2      VAL  69  -2.223   1.430  -2.968
  458   HG23  VAL  69          1HG2      VAL  69  -1.806  -0.267  -2.722
  459    H    ALA  70           H        ALA  70   1.967  -0.882  -1.257
  460    HA   ALA  70           HA       ALA  70   0.228  -3.201  -0.928
  461    HB1  ALA  70           HB1      ALA  70   2.070  -3.994  -2.340
  462    HB2  ALA  70           HB2      ALA  70   3.233  -3.419  -1.144
  463    HB3  ALA  70           HB3      ALA  70   2.125  -4.730  -0.737
  464    H    TYR  71           H        TYR  71  -0.282  -3.350   1.186
  465    HA   TYR  71           HA       TYR  71   0.875  -1.493   3.006
  466    HB2  TYR  71           HB2      TYR  71  -1.439  -1.979   3.269
  467    HB3  TYR  71           HB3      TYR  71  -1.135  -3.718   3.338
  468    HD1  TYR  71           HD2      TYR  71  -0.807  -0.545   5.185
  469    HD2  TYR  71           HD1      TYR  71  -0.529  -4.789   5.372
  470    HE1  TYR  71           HE2      TYR  71  -0.683  -0.419   7.636
  471    HE2  TYR  71           HE1      TYR  71  -0.409  -4.670   7.831
  472    HH   TYR  71           HH       TYR  71  -1.066  -1.774   9.570
  473    H    VAL  72           H        VAL  72   2.514  -1.755   4.389
  474    HA   VAL  72           HA       VAL  72   4.016  -4.241   4.228
  475    HB   VAL  72           HB       VAL  72   4.767  -1.669   5.630
  476   HG11  VAL  72          2HG1      VAL  72   6.009  -3.577   6.443
  477   HG12  VAL  72          1HG1      VAL  72   7.061  -2.548   5.470
  478   HG13  VAL  72          3HG1      VAL  72   6.423  -4.047   4.793
  479   HG21  VAL  72          3HG2      VAL  72   6.116  -1.142   3.669
  480   HG22  VAL  72          2HG2      VAL  72   4.408  -1.273   3.245
  481   HG23  VAL  72          1HG2      VAL  72   5.519  -2.591   2.857
  482    H    GLU  73           H        GLU  73   3.646  -5.779   5.659
  483    HA   GLU  73           HA       GLU  73   2.341  -5.224   8.155
  484    HB2  GLU  73           HB2      GLU  73   3.334  -7.732   6.826
  485    HB3  GLU  73           HB3      GLU  73   2.727  -7.745   8.477
  486    HG2  GLU  73           HG2      GLU  73   1.138  -6.695   6.150
  487    HG3  GLU  73           HG3      GLU  73   1.074  -8.371   6.691
  488    H    SER  74           H        SER  74   5.599  -5.958   7.062
  489    HA   SER  74           HA       SER  74   6.894  -4.791   9.207
  490    HB2  SER  74           HB2      SER  74   5.844  -6.714  10.485
  491    HB3  SER  74           HB3      SER  74   6.865  -7.797   9.543
  492    HG   SER  74           HG       SER  74   7.759  -7.183  11.599
  493    H    VAL  75           H        VAL  75   9.227  -5.249   9.233
  494    HA   VAL  75           HA       VAL  75  10.161  -6.439   6.708
  495    HB   VAL  75           HB       VAL  75  11.632  -4.502   8.515
  496   HG11  VAL  75          2HG1      VAL  75  13.134  -6.009   7.303
  497   HG12  VAL  75          1HG1      VAL  75  13.264  -4.359   6.696
  498   HG13  VAL  75          3HG1      VAL  75  12.361  -5.568   5.781
  499   HG21  VAL  75          3HG2      VAL  75  11.283  -2.860   6.735
  500   HG22  VAL  75          2HG2      VAL  75   9.751  -3.425   7.402
  501   HG23  VAL  75          1HG2      VAL  75  10.313  -4.031   5.844
  502    H    ASN  76           H        ASN  76  11.372  -8.239   6.816
  503    HA   ASN  76           HA       ASN  76  11.546  -9.511   9.397
  504    HB2  ASN  76           HB2      ASN  76  12.343 -10.530   6.663
  505    HB3  ASN  76           HB3      ASN  76  12.252 -11.500   8.131
  506   HD21  ASN  76          1HD2      ASN  76  10.465  -9.864   5.662
  507   HD22  ASN  76          2HD2      ASN  76   8.914 -10.556   6.031
  508    H    SER  77           H        SER  77  13.537 -10.689  10.030
  509    HA   SER  77           HA       SER  77  15.717  -8.851  10.167
  510    HB2  SER  77           HB2      SER  77  15.618 -11.761  11.008
  511    HB3  SER  77           HB3      SER  77  16.784 -10.553  11.548
  512    HG   SER  77           HG       SER  77  14.288  -9.643  11.965
  513    H    ASP  78           H        ASP  78  14.803 -11.094   7.857
  514    HA   ASP  78           HA       ASP  78  17.431 -11.859   6.959
  515    HB2  ASP  78           HB2      ASP  78  14.695 -12.143   5.695
  516    HB3  ASP  78           HB3      ASP  78  16.176 -12.763   4.972
  517    H    GLY  79           H        GLY  79  15.691  -9.033   6.784
  518    HA2  GLY  79           HA1      GLY  79  16.288  -7.095   5.596
  519    HA3  GLY  79           HA2      GLY  79  17.232  -8.090   4.488
  520    H    SER  80           H        SER  80  14.564  -9.792   4.696
  521    HA   SER  80           HA       SER  80  13.381  -8.604   2.322
  522    HB2  SER  80           HB2      SER  80  12.712 -11.203   3.726
  523    HB3  SER  80           HB3      SER  80  12.181 -10.708   2.117
  524    HG   SER  80           HG       SER  80  14.794 -10.498   2.113
  525    H    VAL  81           H        VAL  81  11.236  -7.944   2.206
  526    HA   VAL  81           HA       VAL  81  10.085  -7.232   4.820
  527    HB   VAL  81           HB       VAL  81   9.645  -5.960   2.112
  528   HG11  VAL  81          2HG1      VAL  81   7.710  -5.717   3.590
  529   HG12  VAL  81          1HG1      VAL  81   8.528  -4.174   3.340
  530   HG13  VAL  81          3HG1      VAL  81   8.754  -5.057   4.849
  531   HG21  VAL  81          3HG2      VAL  81  11.301  -5.074   4.472
  532   HG22  VAL  81          2HG2      VAL  81  10.969  -4.094   3.041
  533   HG23  VAL  81          1HG2      VAL  81  11.900  -5.585   2.893
  534    H    THR  82           H        THR  82   8.087  -7.867   5.384
  535    HA   THR  82           HA       THR  82   6.596  -9.565   3.521
  536    HB   THR  82           HB       THR  82   6.275  -9.131   6.500
  537    HG1  THR  82           HG1      THR  82   6.828 -11.643   5.876
  538   HG21  THR  82          3HG2      THR  82   4.730 -11.059   6.406
  539   HG22  THR  82          1HG2      THR  82   4.824 -11.025   4.645
  540   HG23  THR  82          2HG2      THR  82   4.119  -9.664   5.517
  541    H    ILE  83           H        ILE  83   4.948  -8.746   2.443
  542    HA   ILE  83           HA       ILE  83   3.515  -6.427   3.571
  543    HB   ILE  83           HB       ILE  83   3.092  -5.665   1.259
  544   HG12  ILE  83          2HG1      ILE  83   5.189  -7.671   0.416
  545   HG13  ILE  83          3HG1      ILE  83   3.461  -7.979   0.270
  546   HG21  ILE  83          2HG2      ILE  83   5.326  -4.758   0.838
  547   HG22  ILE  83          1HG2      ILE  83   6.011  -5.931   1.961
  548   HG23  ILE  83          3HG2      ILE  83   4.912  -4.687   2.552
  549   HD11  ILE  83          3HD1      ILE  83   4.352  -7.246  -1.833
  550   HD12  ILE  83          2HD1      ILE  83   5.020  -5.797  -1.082
  551   HD13  ILE  83          1HD1      ILE  83   3.272  -6.008  -1.188
  552    H    SER  84           H        SER  84   1.313  -6.193   2.777
  553    HA   SER  84           HA       SER  84   0.144  -8.652   1.691
  554    HB2  SER  84           HB2      SER  84  -0.280  -8.425   4.178
  555    HB3  SER  84           HB3      SER  84  -1.193  -6.961   3.815
  556    HG   SER  84           HG       SER  84  -2.688  -8.547   3.826
  557    H    GLU  85           H        GLU  85  -0.053  -7.851  -0.332
  558    HA   GLU  85           HA       GLU  85  -1.652  -5.414  -0.686
  559    HB2  GLU  85           HB2      GLU  85  -0.781  -5.514  -3.082
  560    HB3  GLU  85           HB3      GLU  85   0.389  -5.101  -1.839
  561    HG2  GLU  85           HG2      GLU  85   1.384  -7.235  -1.926
  562    HG3  GLU  85           HG3      GLU  85   0.048  -7.899  -2.861
  563    H    MET  86           H        MET  86  -3.690  -6.325  -0.474
  564    HA   MET  86           HA       MET  86  -4.491  -8.642  -1.890
  565    HB2  MET  86           HB2      MET  86  -5.665  -7.922   0.119
  566    HB3  MET  86           HB3      MET  86  -6.141  -6.426  -0.672
  567    HG2  MET  86           HG2      MET  86  -7.539  -7.611  -2.206
  568    HG3  MET  86           HG3      MET  86  -6.950  -9.161  -1.612
  569    HE1  MET  86           HE1      MET  86  -7.572 -10.206   0.699
  570    HE2  MET  86           HE2      MET  86  -6.881  -8.798   1.504
  571    HE3  MET  86           HE3      MET  86  -8.489  -9.366   1.951
  572    H    ASN  87           H        ASN  87  -5.041  -8.880  -3.918
  573    HA   ASN  87           HA       ASN  87  -5.977  -8.530  -5.952
  574    HB2  ASN  87           HB2      ASN  87  -7.694  -7.158  -4.832
  575    HB3  ASN  87           HB3      ASN  87  -6.649  -5.751  -4.960
  576   HD21  ASN  87          1HD2      ASN  87  -9.328  -6.291  -5.986
  577   HD22  ASN  87          2HD2      ASN  87  -9.252  -6.021  -7.699
  578    H    TYR  88           H        TYR  88  -4.789  -5.250  -5.300
  579    HA   TYR  88           HA       TYR  88  -3.550  -3.863  -6.602
  580    HB2  TYR  88           HB2      TYR  88  -1.726  -4.898  -5.485
  581    HB3  TYR  88           HB3      TYR  88  -1.812  -6.325  -6.510
  582    HD1  TYR  88           HD2      TYR  88  -1.625  -2.648  -7.208
  583    HD2  TYR  88           HD1      TYR  88   0.056  -6.500  -7.844
  584    HE1  TYR  88           HE2      TYR  88   0.015  -1.673  -8.756
  585    HE2  TYR  88           HE1      TYR  88   1.699  -5.537  -9.399
  586    HH   TYR  88           HH       TYR  88   2.006  -2.067  -9.831
  587    H    SER  89           H        SER  89  -5.129  -3.755  -8.270
  588    HA   SER  89           HA       SER  89  -5.697  -3.574 -10.457
  589    HB2  SER  89           HB2      SER  89  -2.749  -4.106 -10.879
  590    HB3  SER  89           HB3      SER  89  -3.844  -3.354 -12.040
  591    HG   SER  89           HG       SER  89  -4.158  -1.664 -10.525
  592    H    GLY  90           H        GLY  90  -5.874  -6.284  -9.290
  593    HA2  GLY  90           HA1      GLY  90  -5.870  -7.757 -11.831
  594    HA3  GLY  90           HA2      GLY  90  -5.071  -8.469 -10.437
  595    H    GLY  91           H        GLY  91  -6.229  -9.778  -9.215
  596    HA2  GLY  91           HA1      GLY  91  -9.112  -9.916  -9.744
  597    HA3  GLY  91           HA2      GLY  91  -8.126 -11.201  -9.065
  598    HA   PRO  92           HA       PRO  92 -10.153  -8.021  -5.850
  599    HB2  PRO  92           HB2      PRO  92 -12.519  -9.806  -6.213
  600    HB3  PRO  92           HB3      PRO  92 -12.458  -8.086  -5.805
  601    HG2  PRO  92           HG2      PRO  92 -13.093  -8.857  -8.262
  602    HG3  PRO  92           HG3      PRO  92 -12.044  -7.448  -8.004
  603    HD2  PRO  92           HD2      PRO  92 -11.331 -10.215  -8.874
  604    HD3  PRO  92           HD3      PRO  92 -10.635  -8.661  -9.375
  605    H    PHE  93           H        PHE  93  -9.515  -8.581  -3.938
  606    HA   PHE  93           HA       PHE  93  -9.149  -9.669  -2.013
  607    HB2  PHE  93           HB2      PHE  93 -11.037 -11.733  -3.126
  608    HB3  PHE  93           HB3      PHE  93 -10.340 -11.785  -1.508
  609    HD1  PHE  93           HD1      PHE  93 -10.957 -10.080   0.157
  610    HD2  PHE  93           HD2      PHE  93 -12.842 -10.274  -3.657
  611    HE1  PHE  93           HE1      PHE  93 -12.793  -8.672   0.995
  612    HE2  PHE  93           HE2      PHE  93 -14.680  -8.868  -2.824
  613    HZ   PHE  93           HZ       PHE  93 -14.658  -8.063  -0.497
  614    H    SER  94           H        SER  94  -7.894 -10.659  -4.866
  615    HA   SER  94           HA       SER  94  -6.503 -12.974  -3.942
  616    HB2  SER  94           HB2      SER  94  -5.731 -10.971  -6.084
  617    HB3  SER  94           HB3      SER  94  -4.857 -12.474  -5.750
  618    HG   SER  94           HG       SER  94  -6.372 -12.685  -7.478
  619    H    VAL  95           H        VAL  95  -5.939 -12.340  -1.800
  620    HA   VAL  95           HA       VAL  95  -4.396 -10.065  -1.259
  621    HB   VAL  95           HB       VAL  95  -5.540 -11.072   0.568
  622   HG11  VAL  95          2HG1      VAL  95  -5.621 -13.365  -0.208
  623   HG12  VAL  95          1HG1      VAL  95  -5.005 -13.295   1.443
  624   HG13  VAL  95          3HG1      VAL  95  -3.894 -13.550   0.097
  625   HG21  VAL  95          3HG2      VAL  95  -3.475  -9.970   1.168
  626   HG22  VAL  95          2HG2      VAL  95  -2.573 -11.463   0.912
  627   HG23  VAL  95          1HG2      VAL  95  -3.748 -11.355   2.224
  628    H    SER  96           H        SER  96  -2.652  -9.795  -2.530
  629    HA   SER  96           HA       SER  96  -1.030 -11.938  -3.430
  630    HB2  SER  96           HB2      SER  96  -1.328  -9.989  -4.825
  631    HB3  SER  96           HB3      SER  96  -0.674  -8.939  -3.572
  632    HG   SER  96           HG       SER  96   1.066  -9.234  -4.736
  633    H    SER  97           H        SER  97   0.061 -13.019  -1.996
  634    HA   SER  97           HA       SER  97   1.429 -11.689   0.188
  635    HB2  SER  97           HB2      SER  97   1.471 -14.615  -0.583
  636    HB3  SER  97           HB3      SER  97   1.967 -13.920   0.963
  637    HG   SER  97           HG       SER  97  -0.550 -13.171   0.273
  638    H    ARG  98           H        ARG  98   3.169 -10.580  -0.413
  639    HA   ARG  98           HA       ARG  98   5.139 -11.912  -2.149
  640    HB2  ARG  98           HB2      ARG  98   4.342  -9.011  -2.018
  641    HB3  ARG  98           HB3      ARG  98   5.854  -9.534  -2.743
  642    HG2  ARG  98           HG2      ARG  98   4.612 -10.895  -4.344
  643    HG3  ARG  98           HG3      ARG  98   3.097 -10.349  -3.623
  644    HD2  ARG  98           HD2      ARG  98   3.603  -9.066  -5.623
  645    HD3  ARG  98           HD3      ARG  98   3.653  -8.039  -4.191
  646    HE   ARG  98           HE       ARG  98   6.104  -9.119  -5.434
  647   HH11  ARG  98          2HH1      ARG  98   4.246  -6.459  -4.100
  648   HH12  ARG  98          1HH1      ARG  98   5.545  -5.317  -4.275
  649   HH21  ARG  98          2HH2      ARG  98   7.793  -7.616  -5.684
  650   HH22  ARG  98          1HH2      ARG  98   7.554  -5.959  -5.201
  651    H    THR  99           H        THR  99   7.360 -11.184  -1.848
  652    HA   THR  99           HA       THR  99   7.934 -10.116   0.829
  653    HB   THR  99           HB       THR  99   9.407 -12.469  -0.383
  654    HG1  THR  99           HG1      THR  99   7.088 -12.328   1.057
  655   HG21  THR  99          3HG2      THR  99   9.524 -11.193   2.355
  656   HG22  THR  99          1HG2      THR  99  10.772 -11.104   1.112
  657   HG23  THR  99          2HG2      THR  99  10.392 -12.650   1.870
  658    H    ILE 100           H        ILE 100   9.085  -8.326   0.563
  659    HA   ILE 100           HA       ILE 100  10.462  -7.850  -1.956
  660    HB   ILE 100           HB       ILE 100   9.944  -6.027   0.400
  661   HG12  ILE 100          2HG1      ILE 100   8.663  -4.757  -1.427
  662   HG13  ILE 100          3HG1      ILE 100   8.760  -6.257  -2.355
  663   HG21  ILE 100          2HG2      ILE 100  12.073  -5.457  -0.633
  664   HG22  ILE 100          1HG2      ILE 100  10.860  -4.217  -0.949
  665   HG23  ILE 100          3HG2      ILE 100  11.291  -5.371  -2.211
  666   HD11  ILE 100          3HD1      ILE 100   7.604  -7.426  -0.549
  667   HD12  ILE 100          2HD1      ILE 100   6.652  -6.096  -1.212
  668   HD13  ILE 100          1HD1      ILE 100   7.480  -5.905   0.334
  669    H    SER 101           H        SER 101  12.492  -8.632  -2.100
  670    HA   SER 101           HA       SER 101  14.287  -8.724   0.082
  671    HB2  SER 101           HB2      SER 101  15.910  -8.810  -2.080
  672    HB3  SER 101           HB3      SER 101  14.997 -10.201  -1.493
  673    HG   SER 101           HG       SER 101  14.270  -8.404  -3.581
  674    H    ALA 102           H        ALA 102  16.194  -7.384   0.357
  675    HA   ALA 102           HA       ALA 102  15.675  -4.700   0.568
  676    HB1  ALA 102           HB1      ALA 102  17.502  -5.909   1.699
  677    HB2  ALA 102           HB2      ALA 102  18.412  -5.901   0.188
  678    HB3  ALA 102           HB3      ALA 102  18.024  -4.379   0.992
  679    H    SER 103           H        SER 103  17.025  -6.373  -2.203
  680    HA   SER 103           HA       SER 103  18.009  -4.265  -3.701
  681    HB2  SER 103           HB2      SER 103  16.515  -6.644  -4.823
  682    HB3  SER 103           HB3      SER 103  17.794  -5.713  -5.605
  683    HG   SER 103           HG       SER 103  18.553  -7.700  -4.706
  684    H    GLU 104           H        GLU 104  14.734  -5.683  -3.902
  685    HA   GLU 104           HA       GLU 104  13.725  -3.598  -5.559
  686    HB2  GLU 104           HB2      GLU 104  12.327  -5.731  -3.941
  687    HB3  GLU 104           HB3      GLU 104  11.485  -4.606  -4.994
  688    HG2  GLU 104           HG2      GLU 104  11.686  -6.421  -6.358
  689    HG3  GLU 104           HG3      GLU 104  13.122  -5.507  -6.805
  690    H    ALA 105           H        ALA 105  13.911  -4.120  -2.119
  691    HA   ALA 105           HA       ALA 105  11.972  -2.332  -1.215
  692    HB1  ALA 105           HB1      ALA 105  13.140  -3.855   0.280
  693    HB2  ALA 105           HB2      ALA 105  14.646  -2.969   0.036
  694    HB3  ALA 105           HB3      ALA 105  13.290  -2.194   0.853
  695    H    GLY 106           H        GLY 106  15.199  -1.798  -2.446
  696    HA2  GLY 106           HA1      GLY 106  15.578   0.868  -1.693
  697    HA3  GLY 106           HA2      GLY 106  16.294   0.105  -3.100
  698    H    ASN 107           H        ASN 107  13.594  -0.411  -4.329
  699    HA   ASN 107           HA       ASN 107  13.358   2.307  -5.415
  700    HB2  ASN 107           HB2      ASN 107  12.426   1.354  -7.421
  701    HB3  ASN 107           HB3      ASN 107  13.892   0.476  -7.017
  702   HD21  ASN 107          1HD2      ASN 107  10.374   0.337  -6.995
  703   HD22  ASN 107          2HD2      ASN 107  10.264  -1.387  -6.978
  704    H    TYR 108           H        TYR 108  11.879   0.811  -3.036
  705    HA   TYR 108           HA       TYR 108   9.155   1.460  -3.929
  706    HB2  TYR 108           HB2      TYR 108  10.188  -0.355  -1.777
  707    HB3  TYR 108           HB3      TYR 108   8.518   0.194  -1.788
  708    HD1  TYR 108           HD1      TYR 108   7.711   0.068  -4.548
  709    HD2  TYR 108           HD2      TYR 108  10.241  -2.575  -2.379
  710    HE1  TYR 108           HE1      TYR 108   7.069  -1.774  -6.051
  711    HE2  TYR 108           HE2      TYR 108   9.619  -4.415  -3.878
  712    HH   TYR 108           HH       TYR 108   8.034  -3.969  -6.810
  713    H    ASN 109           H        ASN 109   8.254   3.225  -3.278
  714    HA   ASN 109           HA       ASN 109   9.389   4.849  -1.154
  715    HB2  ASN 109           HB2      ASN 109   7.011   5.295  -2.987
  716    HB3  ASN 109           HB3      ASN 109   7.606   6.478  -1.826
  717   HD21  ASN 109          1HD2      ASN 109   7.361   6.478  -4.778
  718   HD22  ASN 109          2HD2      ASN 109   8.941   6.900  -5.360
  719    H    TYR 110           H        TYR 110   7.728   5.872   0.386
  720    HA   TYR 110           HA       TYR 110   5.351   4.335   0.891
  721    HB2  TYR 110           HB2      TYR 110   5.831   3.697   3.160
  722    HB3  TYR 110           HB3      TYR 110   7.091   3.051   2.127
  723    HD1  TYR 110           HD2      TYR 110   8.316   6.096   2.082
  724    HD2  TYR 110           HD1      TYR 110   7.369   3.183   5.025
  725    HE1  TYR 110           HE2      TYR 110   9.982   7.084   3.583
  726    HE2  TYR 110           HE1      TYR 110   9.044   4.159   6.532
  727    HH   TYR 110           HH       TYR 110  10.973   5.545   6.503
  728    H    ILE 111           H        ILE 111   3.904   5.468   2.458
  729    HA   ILE 111           HA       ILE 111   4.680   8.297   2.570
  730    HB   ILE 111           HB       ILE 111   2.317   8.904   2.310
  731   HG12  ILE 111          2HG1      ILE 111   1.895   5.941   1.815
  732   HG13  ILE 111          3HG1      ILE 111   1.264   6.855   3.179
  733   HG21  ILE 111          2HG2      ILE 111   3.409   7.110   0.141
  734   HG22  ILE 111          1HG2      ILE 111   3.797   8.815   0.377
  735   HG23  ILE 111          3HG2      ILE 111   2.160   8.339  -0.076
  736   HD11  ILE 111          3HD1      ILE 111  -0.058   8.220   1.609
  737   HD12  ILE 111          2HD1      ILE 111  -0.471   6.505   1.557
  738   HD13  ILE 111          1HD1      ILE 111   0.528   7.208   0.282
  739    H    HIS 112           H        HIS 112   4.960   9.084   4.463
  740    HA   HIS 112           HA       HIS 112   3.948   7.734   6.840
  741    HB2  HIS 112           HB2      HIS 112   6.114   9.667   6.223
  742    HB3  HIS 112           HB3      HIS 112   5.364   9.824   7.803
  743    HD1  HIS 112           HD1      HIS 112   5.969   8.169   9.561
  744    HD2  HIS 112           HD2      HIS 112   7.547   7.184   5.822
  745    HE1  HIS 112           HE1      HIS 112   7.642   6.348   9.993
  746    HE2  HIS 112           HE2      HIS 112   8.733   5.923   7.766
  747    H    ILE 113           H        ILE 113   2.250   8.463   7.983
  748    HA   ILE 113           HA       ILE 113   0.866  10.877   7.303
  749    HB   ILE 113           HB       ILE 113   0.581   8.877   9.555
  750   HG12  ILE 113          2HG1      ILE 113  -0.221   8.253   7.306
  751   HG13  ILE 113          3HG1      ILE 113  -1.538   8.371   8.472
  752   HG21  ILE 113          2HG2      ILE 113  -1.431  10.070  10.296
  753   HG22  ILE 113          1HG2      ILE 113  -1.069  11.374   9.165
  754   HG23  ILE 113          3HG2      ILE 113   0.024  11.043  10.509
  755   HD11  ILE 113          3HD1      ILE 113  -2.184   9.348   6.371
  756   HD12  ILE 113          2HD1      ILE 113  -0.791  10.428   6.413
  757   HD13  ILE 113          1HD1      ILE 113  -2.075  10.598   7.610
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1 -26.777   4.443   3.069
    2    H2   GLY   1           H2       GLY   1 -27.035   2.989   3.899
    3    H3   GLY   1           H3       GLY   1 -26.924   2.990   2.206
    4    HA2  GLY   1           HA2      GLY   1 -24.884   2.162   3.210
    5    HA3  GLY   1           HA1      GLY   1 -24.620   3.646   2.304
    6    H    SER   2           H        SER   2 -24.379   2.098   5.319
    7    HA   SER   2           HA       SER   2 -23.242   4.512   6.505
    8    HB2  SER   2           HB2      SER   2 -25.267   2.791   7.962
    9    HB3  SER   2           HB3      SER   2 -24.498   4.258   8.566
   10    HG   SER   2           HG       SER   2 -26.445   3.972   6.536
   11    H    SER   3           H        SER   3 -22.429   3.699   8.875
   12    HA   SER   3           HA       SER   3 -20.583   1.577   8.293
   13    HB2  SER   3           HB2      SER   3 -19.819   2.038  10.678
   14    HB3  SER   3           HB3      SER   3 -19.694   3.387   9.549
   15    HG   SER   3           HG       SER   3 -22.103   3.221  10.901
   16    H    ILE   4           H        ILE   4 -21.943  -0.209   8.006
   17    HA   ILE   4           HA       ILE   4 -23.797  -1.053   9.999
   18    HB   ILE   4           HB       ILE   4 -22.579  -2.610   7.712
   19   HG12  ILE   4          2HG1      ILE   4 -23.837  -0.690   6.920
   20   HG13  ILE   4          3HG1      ILE   4 -24.748  -2.162   6.598
   21   HG21  ILE   4          2HG2      ILE   4 -24.470  -4.149   7.998
   22   HG22  ILE   4          1HG2      ILE   4 -24.976  -3.253   9.430
   23   HG23  ILE   4          3HG2      ILE   4 -23.435  -4.111   9.425
   24   HD11  ILE   4          3HD1      ILE   4 -26.198  -0.386   7.389
   25   HD12  ILE   4          2HD1      ILE   4 -25.240  -0.242   8.864
   26   HD13  ILE   4          1HD1      ILE   4 -26.152  -1.718   8.544
   27    H    SER   5           H        SER   5 -20.841  -2.716   8.853
   28    HA   SER   5           HA       SER   5 -20.050  -3.117  11.628
   29    HB2  SER   5           HB2      SER   5 -21.519  -5.076  10.883
   30    HB3  SER   5           HB3      SER   5 -20.209  -5.502   9.781
   31    HG   SER   5           HG       SER   5 -19.701  -5.060  12.516
   32    H    HIS   6           H        HIS   6 -19.373  -3.551   8.204
   33    HA   HIS   6           HA       HIS   6 -16.637  -2.692   8.727
   34    HB2  HIS   6           HB2      HIS   6 -16.572  -5.176   8.600
   35    HB3  HIS   6           HB3      HIS   6 -17.269  -5.089   6.985
   36    HD1  HIS   6           HD1      HIS   6 -15.531  -5.433   5.267
   37    HD2  HIS   6           HD2      HIS   6 -14.056  -3.383   8.578
   38    HE1  HIS   6           HE1      HIS   6 -13.118  -4.943   4.750
   39    HE2  HIS   6           HE2      HIS   6 -12.302  -3.538   6.680
   40    H    SER   7           H        SER   7 -17.554  -0.724   7.904
   41    HA   SER   7           HA       SER   7 -17.922  -0.727   4.990
   42    HB2  SER   7           HB2      SER   7 -18.438   1.501   6.980
   43    HB3  SER   7           HB3      SER   7 -18.848   1.516   5.266
   44    HG   SER   7           HG       SER   7 -20.690   0.938   6.305
   45    H    GLY   8           H        GLY   8 -16.693   1.840   7.085
   46    HA2  GLY   8           HA1      GLY   8 -14.652   2.851   7.276
   47    HA3  GLY   8           HA2      GLY   8 -13.948   1.381   6.630
   48    H    ASN   9           H        ASN   9 -13.549   1.217   4.425
   49    HA   ASN   9           HA       ASN   9 -12.715   3.739   3.352
   50    HB2  ASN   9           HB2      ASN   9 -11.351   1.643   3.265
   51    HB3  ASN   9           HB3      ASN   9 -12.495   0.998   2.094
   52   HD21  ASN   9          1HD2      ASN   9 -10.699   0.807   0.673
   53   HD22  ASN   9          2HD2      ASN   9 -10.115   2.182  -0.198
   54    H    LEU  10           H        LEU  10 -13.062   4.350   1.089
   55    HA   LEU  10           HA       LEU  10 -15.925   4.140   0.468
   56    HB2  LEU  10           HB2      LEU  10 -13.875   6.132  -0.466
   57    HB3  LEU  10           HB3      LEU  10 -15.602   6.226  -0.749
   58    HG   LEU  10           HG       LEU  10 -14.227   6.470   1.932
   59   HD11  LEU  10          2HD1      LEU  10 -15.640   8.504   0.217
   60   HD12  LEU  10          1HD1      LEU  10 -13.906   8.426   0.538
   61   HD13  LEU  10          3HD1      LEU  10 -15.032   8.783   1.848
   62   HD21  LEU  10          3HD2      LEU  10 -16.442   7.024   2.798
   63   HD22  LEU  10          2HD2      LEU  10 -16.403   5.387   2.144
   64   HD23  LEU  10          1HD2      LEU  10 -17.149   6.690   1.218
   65    H    TYR  11           H        TYR  11 -13.087   2.804  -0.532
   66    HA   TYR  11           HA       TYR  11 -13.315   3.193  -3.363
   67    HB2  TYR  11           HB2      TYR  11 -11.245   2.544  -1.744
   68    HB3  TYR  11           HB3      TYR  11 -11.666   0.951  -2.363
   69    HD1  TYR  11           HD2      TYR  11 -10.868   4.410  -3.480
   70    HD2  TYR  11           HD1      TYR  11 -10.870   0.273  -4.461
   71    HE1  TYR  11           HE2      TYR  11  -9.639   4.908  -5.551
   72    HE2  TYR  11           HE1      TYR  11  -9.640   0.761  -6.533
   73    HH   TYR  11           HH       TYR  11  -8.275   3.879  -7.179
   74    H    THR  12           H        THR  12 -12.814   0.670  -4.410
   75    HA   THR  12           HA       THR  12 -15.487  -0.185  -4.741
   76    HB   THR  12           HB       THR  12 -13.068  -1.740  -5.643
   77    HG1  THR  12           HG1      THR  12 -14.148   0.709  -6.633
   78   HG21  THR  12          3HG2      THR  12 -15.260  -2.759  -6.053
   79   HG22  THR  12          1HG2      THR  12 -14.492  -2.267  -7.563
   80   HG23  THR  12          2HG2      THR  12 -15.791  -1.292  -6.876
   81    H    ALA  13           H        ALA  13 -13.129  -2.723  -4.399
   82    HA   ALA  13           HA       ALA  13 -13.764  -3.615  -1.819
   83    HB1  ALA  13           HB1      ALA  13 -15.981  -4.040  -2.760
   84    HB2  ALA  13           HB2      ALA  13 -15.259  -5.014  -4.041
   85    HB3  ALA  13           HB3      ALA  13 -15.166  -5.554  -2.365
   86    H    GLY  14           H        GLY  14 -12.065  -4.815  -1.269
   87    HA2  GLY  14           HA1      GLY  14 -10.253  -6.214  -1.420
   88    HA3  GLY  14           HA2      GLY  14 -11.058  -6.956  -2.794
   89    H    GLN  15           H        GLN  15 -10.377  -3.579  -2.872
   90    HA   GLN  15           HA       GLN  15  -8.646  -3.947  -5.163
   91    HB2  GLN  15           HB2      GLN  15  -9.781  -1.528  -3.768
   92    HB3  GLN  15           HB3      GLN  15  -8.617  -1.392  -5.078
   93    HG2  GLN  15           HG2      GLN  15 -11.120  -2.971  -5.463
   94    HG3  GLN  15           HG3      GLN  15 -11.153  -1.212  -5.570
   95   HE21  GLN  15          1HE2      GLN  15 -10.009  -4.153  -7.013
   96   HE22  GLN  15          2HE2      GLN  15  -9.527  -3.452  -8.519
   97    H    CYS  16           H        CYS  16  -6.563  -2.887  -5.332
   98    HA   CYS  16           HA       CYS  16  -4.757  -3.469  -3.302
   99    HB2  CYS  16           HB2      CYS  16  -3.270  -1.791  -4.577
  100    HB3  CYS  16           HB3      CYS  16  -3.857  -3.203  -5.449
  101    HG   CYS  16           HG       CYS  16  -4.880  -1.885  -7.384
  102    H    THR  17           H        THR  17  -6.230  -0.351  -4.156
  103    HA   THR  17           HA       THR  17  -4.989   0.936  -1.873
  104    HB   THR  17           HB       THR  17  -6.265   2.948  -2.688
  105    HG1  THR  17           HG1      THR  17  -7.135   2.694  -4.854
  106   HG21  THR  17          3HG2      THR  17  -4.499   1.570  -4.711
  107   HG22  THR  17          1HG2      THR  17  -3.941   2.537  -3.345
  108   HG23  THR  17          2HG2      THR  17  -4.851   3.297  -4.650
  109    H    TRP  18           H        TRP  18  -7.502  -1.071  -2.118
  110    HA   TRP  18           HA       TRP  18  -9.291   0.367  -0.322
  111    HB2  TRP  18           HB2      TRP  18 -10.198  -0.929  -2.248
  112    HB3  TRP  18           HB3      TRP  18  -9.564  -2.398  -1.521
  113    HD1  TRP  18           HD1      TRP  18 -12.344   0.211  -1.077
  114    HE1  TRP  18           HE1      TRP  18 -14.149  -0.797   0.454
  115    HE3  TRP  18           HE3      TRP  18  -9.931  -4.076   0.351
  116    HZ2  TRP  18           HZ2      TRP  18 -14.502  -3.076   2.067
  117    HZ3  TRP  18           HZ3      TRP  18 -11.080  -5.607   1.892
  118    HH2  TRP  18           HH2      TRP  18 -13.316  -5.118   2.733
  119    H    TYR  19           H        TYR  19  -7.524  -2.723  -0.468
  120    HA   TYR  19           HA       TYR  19  -8.002  -3.499   2.194
  121    HB2  TYR  19           HB2      TYR  19  -7.246  -5.066   0.485
  122    HB3  TYR  19           HB3      TYR  19  -5.728  -4.194   0.323
  123    HD1  TYR  19           HD2      TYR  19  -7.747  -5.990   2.911
  124    HD2  TYR  19           HD1      TYR  19  -3.882  -4.972   1.458
  125    HE1  TYR  19           HE2      TYR  19  -6.727  -7.456   4.605
  126    HE2  TYR  19           HE1      TYR  19  -2.854  -6.430   3.143
  127    HH   TYR  19           HH       TYR  19  -3.340  -7.427   5.265
  128    H    VAL  20           H        VAL  20  -5.427  -1.618   0.705
  129    HA   VAL  20           HA       VAL  20  -3.714  -1.372   2.882
  130    HB   VAL  20           HB       VAL  20  -4.287   0.549   0.627
  131   HG11  VAL  20          2HG1      VAL  20  -2.092   0.691   2.692
  132   HG12  VAL  20          1HG1      VAL  20  -3.427   1.830   2.506
  133   HG13  VAL  20          3HG1      VAL  20  -2.202   1.692   1.244
  134   HG21  VAL  20          3HG2      VAL  20  -3.297  -1.592  -0.009
  135   HG22  VAL  20          2HG2      VAL  20  -1.992  -1.338   1.149
  136   HG23  VAL  20          1HG2      VAL  20  -2.156  -0.269  -0.244
  137    H    TYR  21           H        TYR  21  -6.419   0.755   1.927
  138    HA   TYR  21           HA       TYR  21  -6.045   2.600   4.029
  139    HB2  TYR  21           HB2      TYR  21  -7.367   2.996   1.905
  140    HB3  TYR  21           HB3      TYR  21  -8.658   2.040   2.624
  141    HD1  TYR  21           HD2      TYR  21  -6.540   5.020   3.309
  142    HD2  TYR  21           HD1      TYR  21 -10.276   3.090   3.909
  143    HE1  TYR  21           HE2      TYR  21  -7.386   7.033   4.430
  144    HE2  TYR  21           HE1      TYR  21 -11.144   5.092   5.031
  145    HH   TYR  21           HH       TYR  21 -10.203   7.075   6.271
  146    H    ASP  22           H        ASP  22  -7.822  -0.403   3.781
  147    HA   ASP  22           HA       ASP  22  -9.298  -0.124   6.193
  148    HB2  ASP  22           HB2      ASP  22  -9.877  -1.755   4.421
  149    HB3  ASP  22           HB3      ASP  22  -8.413  -2.661   4.799
  150    H    LYS  23           H        LYS  23  -6.219  -1.698   5.416
  151    HA   LYS  23           HA       LYS  23  -5.770  -2.736   8.008
  152    HB2  LYS  23           HB2      LYS  23  -3.905  -2.237   5.694
  153    HB3  LYS  23           HB3      LYS  23  -3.398  -3.018   7.186
  154    HG2  LYS  23           HG2      LYS  23  -5.613  -4.021   5.415
  155    HG3  LYS  23           HG3      LYS  23  -3.943  -4.589   5.354
  156    HD2  LYS  23           HD2      LYS  23  -5.689  -4.702   7.812
  157    HD3  LYS  23           HD3      LYS  23  -5.475  -6.042   6.684
  158    HE2  LYS  23           HE2      LYS  23  -3.055  -6.011   7.137
  159    HE3  LYS  23           HE3      LYS  23  -3.301  -4.703   8.293
  160    HZ1  LYS  23           HZ1      LYS  23  -4.569  -7.378   8.529
  161    HZ2  LYS  23           HZ2      LYS  23  -4.564  -6.138   9.689
  162    HZ3  LYS  23           HZ3      LYS  23  -3.125  -6.945   9.302
  163    H    VAL  24           H        VAL  24  -5.097   0.388   6.598
  164    HA   VAL  24           HA       VAL  24  -3.267   1.092   8.736
  165    HB   VAL  24           HB       VAL  24  -3.128   3.303   7.698
  166   HG11  VAL  24          2HG1      VAL  24  -2.111   2.619   5.580
  167   HG12  VAL  24          1HG1      VAL  24  -2.887   1.042   5.719
  168   HG13  VAL  24          3HG1      VAL  24  -1.669   1.533   6.897
  169   HG21  VAL  24          3HG2      VAL  24  -5.137   2.249   5.713
  170   HG22  VAL  24          2HG2      VAL  24  -4.290   3.793   5.613
  171   HG23  VAL  24          1HG2      VAL  24  -5.436   3.498   6.921
  172    H    GLY  25           H        GLY  25  -6.474   0.717   8.694
  173    HA2  GLY  25           HA1      GLY  25  -7.884   1.155  10.493
  174    HA3  GLY  25           HA2      GLY  25  -6.706   2.307  11.101
  175    H    GLY  26           H        GLY  26  -6.979   3.260   8.051
  176    HA2  GLY  26           HA1      GLY  26  -8.504   4.601   6.869
  177    HA3  GLY  26           HA2      GLY  26  -9.545   4.623   8.283
  178    H    GLU  27           H        GLU  27  -6.368   5.288   9.165
  179    HA   GLU  27           HA       GLU  27  -6.957   8.066   9.629
  180    HB2  GLU  27           HB2      GLU  27  -5.590   6.819  11.232
  181    HB3  GLU  27           HB3      GLU  27  -4.387   6.507   9.993
  182    HG2  GLU  27           HG2      GLU  27  -3.668   8.265  11.493
  183    HG3  GLU  27           HG3      GLU  27  -3.899   8.889   9.860
  184    H    ILE  28           H        ILE  28  -4.826   6.238   7.515
  185    HA   ILE  28           HA       ILE  28  -4.140   8.719   6.114
  186    HB   ILE  28           HB       ILE  28  -2.047   8.078   6.597
  187   HG12  ILE  28          2HG1      ILE  28  -2.568   7.298   4.096
  188   HG13  ILE  28          3HG1      ILE  28  -0.977   7.092   4.829
  189   HG21  ILE  28          2HG2      ILE  28  -1.380   5.824   7.326
  190   HG22  ILE  28          1HG2      ILE  28  -3.016   5.252   6.992
  191   HG23  ILE  28          3HG2      ILE  28  -2.744   6.465   8.243
  192   HD11  ILE  28          3HD1      ILE  28  -1.656   5.095   3.629
  193   HD12  ILE  28          2HD1      ILE  28  -3.127   4.986   4.602
  194   HD13  ILE  28          1HD1      ILE  28  -1.547   4.764   5.358
  195    H    GLY  29           H        GLY  29  -4.919   8.961   4.106
  196    HA2  GLY  29           HA1      GLY  29  -4.456   7.835   1.898
  197    HA3  GLY  29           HA2      GLY  29  -5.344   6.481   2.563
  198    H    SER  30           H        SER  30  -6.834   6.417   1.025
  199    HA   SER  30           HA       SER  30  -8.734   6.748  -0.087
  200    HB2  SER  30           HB2      SER  30 -10.545   8.023   0.877
  201    HB3  SER  30           HB3      SER  30  -9.701   7.156   2.154
  202    HG   SER  30           HG       SER  30  -8.522   9.229   2.460
  203    H    THR  31           H        THR  31  -7.400   9.942   0.768
  204    HA   THR  31           HA       THR  31  -8.405  11.111  -1.659
  205    HB   THR  31           HB       THR  31  -8.179  12.399   0.453
  206    HG1  THR  31           HG1      THR  31  -6.517  13.944  -0.986
  207   HG21  THR  31          3HG2      THR  31  -5.977  13.194   1.161
  208   HG22  THR  31          1HG2      THR  31  -5.211  12.209  -0.086
  209   HG23  THR  31          2HG2      THR  31  -6.068  11.434   1.247
  210    H    TRP  32           H        TRP  32  -5.963   9.010  -1.194
  211    HA   TRP  32           HA       TRP  32  -3.837  10.322  -2.581
  212    HB2  TRP  32           HB2      TRP  32  -2.695   8.123  -2.457
  213    HB3  TRP  32           HB3      TRP  32  -3.272   8.699  -0.896
  214    HD1  TRP  32           HD1      TRP  32  -5.546   7.022  -3.432
  215    HE1  TRP  32           HE1      TRP  32  -6.410   4.844  -2.467
  216    HE3  TRP  32           HE3      TRP  32  -2.721   6.875   0.807
  217    HZ2  TRP  32           HZ2      TRP  32  -5.962   3.214  -0.191
  218    HZ3  TRP  32           HZ3      TRP  32  -2.997   4.957   2.336
  219    HH2  TRP  32           HH2      TRP  32  -4.584   3.166   1.843
  220    H    GLY  33           H        GLY  33  -6.667   8.894  -3.664
  221    HA2  GLY  33           HA1      GLY  33  -7.347   8.586  -5.883
  222    HA3  GLY  33           HA2      GLY  33  -5.675   8.805  -6.379
  223    H    ASN  34           H        ASN  34  -5.022   7.081  -7.450
  224    HA   ASN  34           HA       ASN  34  -5.489   4.474  -6.174
  225    HB2  ASN  34           HB2      ASN  34  -5.357   3.371  -8.252
  226    HB3  ASN  34           HB3      ASN  34  -6.394   4.758  -8.549
  227   HD21  ASN  34          1HD2      ASN  34  -5.652   6.425  -9.852
  228   HD22  ASN  34          2HD2      ASN  34  -4.254   6.247 -10.866
  229    H    ALA  35           H        ALA  35  -3.526   2.975  -7.272
  230    HA   ALA  35           HA       ALA  35  -1.495   3.587  -5.468
  231    HB1  ALA  35           HB1      ALA  35  -2.038   1.324  -6.200
  232    HB2  ALA  35           HB2      ALA  35  -1.366   1.686  -7.793
  233    HB3  ALA  35           HB3      ALA  35  -0.319   1.684  -6.375
  234    H    ASN  36           H        ASN  36  -1.691   4.330  -8.939
  235    HA   ASN  36           HA       ASN  36   1.146   4.916  -8.999
  236    HB2  ASN  36           HB2      ASN  36   0.985   5.137 -11.313
  237    HB3  ASN  36           HB3      ASN  36  -0.214   3.911 -10.934
  238   HD21  ASN  36          1HD2      ASN  36  -0.045   5.528 -13.273
  239   HD22  ASN  36          2HD2      ASN  36  -1.500   6.455 -13.359
  240    H    ASN  37           H        ASN  37  -1.579   6.605  -8.077
  241    HA   ASN  37           HA       ASN  37  -0.340   9.210  -8.671
  242    HB2  ASN  37           HB2      ASN  37  -2.763   8.707  -9.349
  243    HB3  ASN  37           HB3      ASN  37  -3.141   8.740  -7.632
  244   HD21  ASN  37          1HD2      ASN  37  -3.205  10.693  -6.560
  245   HD22  ASN  37          2HD2      ASN  37  -3.129  12.218  -7.382
  246    H    TRP  38           H        TRP  38  -0.067   6.999  -6.461
  247    HA   TRP  38           HA       TRP  38  -1.021   7.881  -4.039
  248    HB2  TRP  38           HB2      TRP  38   0.857   5.909  -4.947
  249    HB3  TRP  38           HB3      TRP  38   1.417   6.657  -3.448
  250    HD1  TRP  38           HD1      TRP  38  -2.182   5.697  -4.521
  251    HE1  TRP  38           HE1      TRP  38  -3.165   4.235  -2.676
  252    HE3  TRP  38           HE3      TRP  38   1.913   5.370  -1.495
  253    HZ2  TRP  38           HZ2      TRP  38  -2.324   3.125  -0.188
  254    HZ3  TRP  38           HZ3      TRP  38   1.748   4.091   0.591
  255    HH2  TRP  38           HH2      TRP  38  -0.328   2.984   1.219
  256    H    ALA  39           H        ALA  39   2.427   8.197  -4.946
  257    HA   ALA  39           HA       ALA  39   3.132   9.625  -2.677
  258    HB1  ALA  39           HB1      ALA  39   5.156  10.303  -3.917
  259    HB2  ALA  39           HB2      ALA  39   4.801   8.582  -4.072
  260    HB3  ALA  39           HB3      ALA  39   4.426   9.683  -5.399
  261    H    ALA  40           H        ALA  40   1.999  10.822  -5.791
  262    HA   ALA  40           HA       ALA  40   2.415  13.563  -5.345
  263    HB1  ALA  40           HB1      ALA  40   0.779  13.907  -7.129
  264    HB2  ALA  40           HB2      ALA  40   1.916  12.624  -7.543
  265    HB3  ALA  40           HB3      ALA  40   0.286  12.218  -7.006
  266    H    ALA  41           H        ALA  41  -0.540  11.610  -4.910
  267    HA   ALA  41           HA       ALA  41  -2.050  13.754  -3.799
  268    HB1  ALA  41           HB1      ALA  41  -3.098  11.874  -4.960
  269    HB2  ALA  41           HB2      ALA  41  -2.563  10.772  -3.689
  270    HB3  ALA  41           HB3      ALA  41  -3.732  12.043  -3.325
  271    H    ALA  42           H        ALA  42  -0.116  11.172  -2.458
  272    HA   ALA  42           HA       ALA  42  -0.934  11.362   0.241
  273    HB1  ALA  42           HB1      ALA  42   1.648  10.408  -0.985
  274    HB2  ALA  42           HB2      ALA  42   1.172  10.159   0.692
  275    HB3  ALA  42           HB3      ALA  42   0.229   9.430  -0.608
  276    H    GLN  43           H        GLN  43   1.914  12.720  -1.453
  277    HA   GLN  43           HA       GLN  43   2.869  14.146   0.799
  278    HB2  GLN  43           HB2      GLN  43   3.376  14.549  -2.155
  279    HB3  GLN  43           HB3      GLN  43   4.247  15.390  -0.878
  280    HG2  GLN  43           HG2      GLN  43   5.123  13.296  -0.046
  281    HG3  GLN  43           HG3      GLN  43   4.183  12.403  -1.240
  282   HE21  GLN  43          1HE2      GLN  43   6.922  14.483  -0.715
  283   HE22  GLN  43          2HE2      GLN  43   7.676  14.203  -2.248
  284    H    GLY  44           H        GLY  44   0.564  14.892  -1.723
  285    HA2  GLY  44           HA1      GLY  44   0.257  17.652  -1.116
  286    HA3  GLY  44           HA2      GLY  44  -0.911  16.642  -1.957
  287    H    ALA  45           H        ALA  45  -0.990  14.719   0.280
  288    HA   ALA  45           HA       ALA  45  -2.963  16.079   1.901
  289    HB1  ALA  45           HB1      ALA  45  -2.008  13.220   2.011
  290    HB2  ALA  45           HB2      ALA  45  -3.413  13.883   2.846
  291    HB3  ALA  45           HB3      ALA  45  -3.389  13.808   1.084
  292    H    GLY  46           H        GLY  46   0.358  15.408   2.076
  293    HA2  GLY  46           HA1      GLY  46   1.656  16.588   3.708
  294    HA3  GLY  46           HA2      GLY  46   0.341  16.374   4.851
  295    H    PHE  47           H        PHE  47   1.322  13.653   2.923
  296    HA   PHE  47           HA       PHE  47   2.339  12.334   5.307
  297    HB2  PHE  47           HB2      PHE  47   2.172  11.257   2.483
  298    HB3  PHE  47           HB3      PHE  47   2.509  10.326   3.931
  299    HD1  PHE  47           HD1      PHE  47   0.111  12.389   5.141
  300    HD2  PHE  47           HD2      PHE  47   0.541   9.285   2.265
  301    HE1  PHE  47           HE1      PHE  47  -2.292  11.882   5.325
  302    HE2  PHE  47           HE2      PHE  47  -1.854   8.765   2.435
  303    HZ   PHE  47           HZ       PHE  47  -3.277  10.077   3.965
  304    H    THR  48           H        THR  48   4.452  11.397   5.412
  305    HA   THR  48           HA       THR  48   6.436  12.867   3.811
  306    HB   THR  48           HB       THR  48   7.060  11.203   6.243
  307    HG1  THR  48           HG1      THR  48   5.558  12.611   7.069
  308   HG21  THR  48          3HG2      THR  48   8.933  12.007   4.890
  309   HG22  THR  48          1HG2      THR  48   8.907  12.805   6.463
  310   HG23  THR  48          2HG2      THR  48   8.336  13.660   5.030
  311    H    VAL  49           H        VAL  49   7.909  11.747   2.504
  312    HA   VAL  49           HA       VAL  49   7.651   8.822   2.559
  313    HB   VAL  49           HB       VAL  49   7.328   8.585   0.317
  314   HG11  VAL  49          2HG1      VAL  49   5.602  10.139  -0.454
  315   HG12  VAL  49          1HG1      VAL  49   6.018  11.241   0.860
  316   HG13  VAL  49          3HG1      VAL  49   5.356   9.645   1.221
  317   HG21  VAL  49          3HG2      VAL  49   9.300   9.942  -0.343
  318   HG22  VAL  49          2HG2      VAL  49   8.273  11.376  -0.289
  319   HG23  VAL  49          1HG2      VAL  49   7.925  10.078  -1.436
  320    H    ASN  50           H        ASN  50   9.431   7.637   2.275
  321    HA   ASN  50           HA       ASN  50  11.690   8.674   0.853
  322    HB2  ASN  50           HB2      ASN  50  13.351   7.977   2.524
  323    HB3  ASN  50           HB3      ASN  50  12.317   9.231   3.182
  324   HD21  ASN  50          1HD2      ASN  50  10.997   8.771   4.882
  325   HD22  ASN  50          2HD2      ASN  50  11.073   7.283   5.779
  326    H    HIS  51           H        HIS  51  13.176   6.179   1.810
  327    HA   HIS  51           HA       HIS  51  11.357   4.254   0.554
  328    HB2  HIS  51           HB2      HIS  51  14.342   4.300   0.009
  329    HB3  HIS  51           HB3      HIS  51  13.142   3.280  -0.767
  330    HD1  HIS  51           HD1      HIS  51  15.227   5.707  -1.806
  331    HD2  HIS  51           HD2      HIS  51  11.073   5.517  -1.870
  332    HE1  HIS  51           HE1      HIS  51  14.507   7.294  -3.616
  333    HE2  HIS  51           HE2      HIS  51  11.991   7.285  -3.527
  334    H    THR  52           H        THR  52  11.037   3.815   2.902
  335    HA   THR  52           HA       THR  52  12.704   1.509   3.566
  336    HB   THR  52           HB       THR  52  11.943   3.429   5.762
  337    HG1  THR  52           HG1      THR  52  13.336   4.632   4.503
  338   HG21  THR  52          3HG2      THR  52  12.507   1.113   6.378
  339   HG22  THR  52          1HG2      THR  52  13.698   2.261   6.992
  340   HG23  THR  52          2HG2      THR  52  14.066   1.285   5.571
  341    HA   PRO  53           HA       PRO  53   8.232   0.448   4.134
  342    HB2  PRO  53           HB2      PRO  53   8.585  -2.177   3.473
  343    HB3  PRO  53           HB3      PRO  53   8.239  -0.914   2.286
  344    HG2  PRO  53           HG2      PRO  53  10.876  -2.116   3.053
  345    HG3  PRO  53           HG3      PRO  53  10.239  -1.758   1.436
  346    HD2  PRO  53           HD2      PRO  53  12.000  -0.122   2.627
  347    HD3  PRO  53           HD3      PRO  53  10.672   0.503   1.624
  348    H    SER  54           H        SER  54   7.324  -0.595   5.866
  349    HA   SER  54           HA       SER  54   8.607  -2.516   7.488
  350    HB2  SER  54           HB2      SER  54   9.924  -0.482   8.168
  351    HB3  SER  54           HB3      SER  54   8.418   0.256   8.715
  352    HG   SER  54           HG       SER  54   9.929  -1.154  10.186
  353    H    LYS  55           H        LYS  55   7.247  -2.724   9.624
  354    HA   LYS  55           HA       LYS  55   4.630  -3.252   8.808
  355    HB2  LYS  55           HB2      LYS  55   5.523  -4.474  10.661
  356    HB3  LYS  55           HB3      LYS  55   5.819  -2.999  11.574
  357    HG2  LYS  55           HG2      LYS  55   3.357  -2.620  11.631
  358    HG3  LYS  55           HG3      LYS  55   3.149  -4.206  10.886
  359    HD2  LYS  55           HD2      LYS  55   4.144  -5.293  12.772
  360    HD3  LYS  55           HD3      LYS  55   4.611  -3.745  13.480
  361    HE2  LYS  55           HE2      LYS  55   2.206  -3.152  13.638
  362    HE3  LYS  55           HE3      LYS  55   1.806  -4.769  13.061
  363    HZ1  LYS  55           HZ1      LYS  55   2.711  -5.734  14.998
  364    HZ2  LYS  55           HZ2      LYS  55   1.745  -4.448  15.529
  365    HZ3  LYS  55           HZ3      LYS  55   3.430  -4.282  15.491
  366    H    GLY  56           H        GLY  56   3.007  -1.911   8.408
  367    HA2  GLY  56           HA1      GLY  56   1.399  -0.340   9.345
  368    HA3  GLY  56           HA2      GLY  56   2.750   0.514  10.081
  369    H    ALA  57           H        ALA  57   4.164  -0.086   7.388
  370    HA   ALA  57           HA       ALA  57   3.292   2.404   6.137
  371    HB1  ALA  57           HB1      ALA  57   5.377   2.101   4.781
  372    HB2  ALA  57           HB2      ALA  57   5.643   2.270   6.519
  373    HB3  ALA  57           HB3      ALA  57   5.730   0.679   5.760
  374    H    ILE  58           H        ILE  58   3.698   2.253   3.589
  375    HA   ILE  58           HA       ILE  58   2.586  -0.243   2.543
  376    HB   ILE  58           HB       ILE  58   1.529   2.454   1.681
  377   HG12  ILE  58          2HG1      ILE  58  -0.658   1.391   2.698
  378   HG13  ILE  58          3HG1      ILE  58   0.479   0.500   3.695
  379   HG21  ILE  58          2HG2      ILE  58  -0.181   1.057   0.534
  380   HG22  ILE  58          1HG2      ILE  58   0.756  -0.372   0.975
  381   HG23  ILE  58          3HG2      ILE  58   1.455   0.853  -0.087
  382   HD11  ILE  58          3HD1      ILE  58  -0.321   2.485   4.834
  383   HD12  ILE  58          2HD1      ILE  58   0.262   3.495   3.512
  384   HD13  ILE  58          1HD1      ILE  58   1.409   2.606   4.513
  385    H    LEU  59           H        LEU  59   3.306  -0.775   0.527
  386    HA   LEU  59           HA       LEU  59   5.731   0.441  -0.366
  387    HB2  LEU  59           HB2      LEU  59   4.886  -2.027  -0.515
  388    HB3  LEU  59           HB3      LEU  59   4.106  -1.488  -1.987
  389    HG   LEU  59           HG       LEU  59   6.437  -0.672  -2.699
  390   HD11  LEU  59          2HD1      LEU  59   7.495  -0.851  -0.517
  391   HD12  LEU  59          1HD1      LEU  59   8.297  -1.891  -1.696
  392   HD13  LEU  59          3HD1      LEU  59   7.200  -2.589  -0.504
  393   HD21  LEU  59          3HD2      LEU  59   7.006  -2.888  -3.559
  394   HD22  LEU  59          2HD2      LEU  59   5.282  -2.556  -3.719
  395   HD23  LEU  59          1HD2      LEU  59   5.860  -3.620  -2.436
  396    H    GLN  60           H        GLN  60   6.107   1.336  -2.497
  397    HA   GLN  60           HA       GLN  60   3.849   1.947  -4.176
  398    HB2  GLN  60           HB2      GLN  60   3.588   3.851  -2.805
  399    HB3  GLN  60           HB3      GLN  60   5.322   4.117  -2.698
  400    HG2  GLN  60           HG2      GLN  60   4.312   5.786  -4.115
  401    HG3  GLN  60           HG3      GLN  60   5.373   4.747  -5.064
  402   HE21  GLN  60          1HE2      GLN  60   3.226   6.414  -6.021
  403   HE22  GLN  60          2HE2      GLN  60   2.069   5.368  -6.764
  404    H    SER  61           H        SER  61   4.372   1.955  -6.210
  405    HA   SER  61           HA       SER  61   6.863   3.050  -7.143
  406    HB2  SER  61           HB2      SER  61   7.468   0.673  -6.709
  407    HB3  SER  61           HB3      SER  61   6.178   0.172  -7.801
  408    HG   SER  61           HG       SER  61   8.190   1.967  -8.653
  409    H    SER  62           H        SER  62   6.471   4.117  -8.979
  410    HA   SER  62           HA       SER  62   3.854   3.881 -10.195
  411    HB2  SER  62           HB2      SER  62   5.144   5.749 -11.686
  412    HB3  SER  62           HB3      SER  62   4.308   6.108 -10.175
  413    HG   SER  62           HG       SER  62   7.081   5.704 -10.615
  414    H    GLU  63           H        GLU  63   6.356   1.999 -10.453
  415    HA   GLU  63           HA       GLU  63   6.618   1.874 -13.337
  416    HB2  GLU  63           HB2      GLU  63   7.776   0.130 -11.154
  417    HB3  GLU  63           HB3      GLU  63   8.167   0.002 -12.864
  418    HG2  GLU  63           HG2      GLU  63   8.673   2.419 -11.144
  419    HG3  GLU  63           HG3      GLU  63   9.877   1.208 -11.587
  420    H    GLY  64           H        GLY  64   4.301   1.468 -13.650
  421    HA2  GLY  64           HA1      GLY  64   3.722  -1.192 -14.235
  422    HA3  GLY  64           HA2      GLY  64   3.026  -0.854 -12.655
  423    HA   PRO  65           HA       PRO  65   0.068   0.517 -15.979
  424    HB2  PRO  65           HB2      PRO  65  -2.051  -0.988 -15.244
  425    HB3  PRO  65           HB3      PRO  65  -0.779  -1.595 -16.307
  426    HG2  PRO  65           HG2      PRO  65  -1.227  -2.099 -13.406
  427    HG3  PRO  65           HG3      PRO  65  -0.646  -3.205 -14.663
  428    HD2  PRO  65           HD2      PRO  65   0.970  -1.914 -12.829
  429    HD3  PRO  65           HD3      PRO  65   1.522  -2.544 -14.392
  430    H    PHE  66           H        PHE  66  -0.819  -0.251 -12.616
  431    HA   PHE  66           HA       PHE  66  -2.071   2.405 -12.429
  432    HB2  PHE  66           HB2      PHE  66  -3.066  -0.240 -11.373
  433    HB3  PHE  66           HB3      PHE  66  -3.615   1.292 -10.704
  434    HD1  PHE  66           HD1      PHE  66  -3.628  -0.871 -13.671
  435    HD2  PHE  66           HD2      PHE  66  -5.128   2.695 -11.896
  436    HE1  PHE  66           HE1      PHE  66  -5.332  -0.712 -15.439
  437    HE2  PHE  66           HE2      PHE  66  -6.833   2.860 -13.660
  438    HZ   PHE  66           HZ       PHE  66  -6.936   1.154 -15.434
  439    H    GLY  67           H        GLY  67   0.636   1.458 -11.758
  440    HA2  GLY  67           HA1      GLY  67   2.128   2.076 -10.082
  441    HA3  GLY  67           HA2      GLY  67   0.761   2.509  -9.065
  442    H    HIS  68           H        HIS  68   2.283   1.422  -7.475
  443    HA   HIS  68           HA       HIS  68   1.390  -1.341  -7.129
  444    HB2  HIS  68           HB2      HIS  68   4.316  -0.519  -7.113
  445    HB3  HIS  68           HB3      HIS  68   3.718  -2.002  -6.380
  446    HD1  HIS  68           HD1      HIS  68   3.268  -3.967  -7.899
  447    HD2  HIS  68           HD2      HIS  68   4.238  -0.495  -9.956
  448    HE1  HIS  68           HE1      HIS  68   3.715  -4.693 -10.261
  449    HE2  HIS  68           HE2      HIS  68   4.557  -2.613 -11.406
  450    H    VAL  69           H        VAL  69   0.105  -0.471  -5.336
  451    HA   VAL  69           HA       VAL  69   1.859   0.171  -3.077
  452    HB   VAL  69           HB       VAL  69   0.003   1.292  -1.999
  453   HG11  VAL  69          2HG1      VAL  69   0.468   2.182  -4.840
  454   HG12  VAL  69          1HG1      VAL  69   1.474   2.562  -3.443
  455   HG13  VAL  69          3HG1      VAL  69  -0.169   3.194  -3.544
  456   HG21  VAL  69          3HG2      VAL  69  -1.865  -0.013  -2.913
  457   HG22  VAL  69          2HG2      VAL  69  -1.583   0.697  -4.504
  458   HG23  VAL  69          1HG2      VAL  69  -2.105   1.716  -3.163
  459    H    ALA  70           H        ALA  70   2.207  -1.406  -1.800
  460    HA   ALA  70           HA       ALA  70   0.044  -3.298  -1.176
  461    HB1  ALA  70           HB1      ALA  70   2.986  -3.909  -1.456
  462    HB2  ALA  70           HB2      ALA  70   1.746  -5.050  -0.933
  463    HB3  ALA  70           HB3      ALA  70   1.711  -4.399  -2.572
  464    H    TYR  71           H        TYR  71  -0.407  -3.451   0.933
  465    HA   TYR  71           HA       TYR  71   0.819  -1.586   2.694
  466    HB2  TYR  71           HB2      TYR  71  -1.499  -1.928   2.984
  467    HB3  TYR  71           HB3      TYR  71  -1.318  -3.680   3.036
  468    HD1  TYR  71           HD2      TYR  71  -0.665  -0.556   4.926
  469    HD2  TYR  71           HD1      TYR  71  -0.946  -4.801   5.053
  470    HE1  TYR  71           HE2      TYR  71  -0.563  -0.479   7.383
  471    HE2  TYR  71           HE1      TYR  71  -0.847  -4.731   7.516
  472    HH   TYR  71           HH       TYR  71  -1.203  -1.853   9.298
  473    H    VAL  72           H        VAL  72   2.446  -1.850   4.059
  474    HA   VAL  72           HA       VAL  72   3.829  -4.395   4.092
  475    HB   VAL  72           HB       VAL  72   4.632  -1.962   5.673
  476   HG11  VAL  72          2HG1      VAL  72   6.129  -4.299   4.508
  477   HG12  VAL  72          1HG1      VAL  72   5.861  -3.924   6.214
  478   HG13  VAL  72          3HG1      VAL  72   6.905  -2.891   5.235
  479   HG21  VAL  72          3HG2      VAL  72   5.342  -2.478   2.784
  480   HG22  VAL  72          2HG2      VAL  72   5.928  -1.152   3.793
  481   HG23  VAL  72          1HG2      VAL  72   4.222  -1.238   3.351
  482    H    GLU  73           H        GLU  73   3.227  -5.907   5.513
  483    HA   GLU  73           HA       GLU  73   1.844  -5.072   7.935
  484    HB2  GLU  73           HB2      GLU  73   2.230  -7.836   6.777
  485    HB3  GLU  73           HB3      GLU  73   1.255  -7.448   8.188
  486    HG2  GLU  73           HG2      GLU  73   0.164  -5.768   6.408
  487    HG3  GLU  73           HG3      GLU  73   0.689  -7.048   5.323
  488    H    SER  74           H        SER  74   4.945  -6.105   6.958
  489    HA   SER  74           HA       SER  74   6.028  -5.852   9.546
  490    HB2  SER  74           HB2      SER  74   6.737  -8.232   9.881
  491    HB3  SER  74           HB3      SER  74   4.994  -7.996  10.017
  492    HG   SER  74           HG       SER  74   6.013  -9.790   8.601
  493    H    VAL  75           H        VAL  75   8.332  -6.318   9.600
  494    HA   VAL  75           HA       VAL  75   9.540  -6.698   6.943
  495    HB   VAL  75           HB       VAL  75  10.026  -4.451   7.760
  496   HG11  VAL  75          2HG1      VAL  75  11.288  -4.062   9.814
  497   HG12  VAL  75          1HG1      VAL  75  11.219  -5.785  10.185
  498   HG13  VAL  75          3HG1      VAL  75   9.735  -4.830  10.147
  499   HG21  VAL  75          3HG2      VAL  75  11.764  -5.542   6.474
  500   HG22  VAL  75          2HG2      VAL  75  12.421  -6.279   7.936
  501   HG23  VAL  75          1HG2      VAL  75  12.493  -4.530   7.723
  502    H    ASN  76           H        ASN  76  11.084  -8.280   6.770
  503    HA   ASN  76           HA       ASN  76  11.189 -10.133   9.017
  504    HB2  ASN  76           HB2      ASN  76  12.280 -10.480   6.210
  505    HB3  ASN  76           HB3      ASN  76  12.087 -11.739   7.425
  506   HD21  ASN  76          1HD2      ASN  76  11.006 -11.605   4.758
  507   HD22  ASN  76          2HD2      ASN  76   9.285 -11.692   4.919
  508    H    SER  77           H        SER  77  13.245 -11.045   9.700
  509    HA   SER  77           HA       SER  77  15.190  -8.995  10.084
  510    HB2  SER  77           HB2      SER  77  16.399 -11.151  11.124
  511    HB3  SER  77           HB3      SER  77  15.108 -10.286  11.960
  512    HG   SER  77           HG       SER  77  14.884 -12.647  10.389
  513    H    ASP  78           H        ASP  78  14.676 -10.961   7.512
  514    HA   ASP  78           HA       ASP  78  17.410 -11.530   6.799
  515    HB2  ASP  78           HB2      ASP  78  14.886 -11.592   5.124
  516    HB3  ASP  78           HB3      ASP  78  16.453 -12.212   4.622
  517    H    GLY  79           H        GLY  79  15.422  -8.812   6.725
  518    HA2  GLY  79           HA1      GLY  79  16.255  -6.668   6.064
  519    HA3  GLY  79           HA2      GLY  79  17.230  -7.465   4.836
  520    H    SER  80           H        SER  80  14.453  -9.048   4.653
  521    HA   SER  80           HA       SER  80  13.375  -7.281   2.581
  522    HB2  SER  80           HB2      SER  80  12.140  -9.435   1.923
  523    HB3  SER  80           HB3      SER  80  13.884  -9.405   1.667
  524    HG   SER  80           HG       SER  80  13.745 -11.227   2.752
  525    H    VAL  81           H        VAL  81  11.150  -6.789   2.542
  526    HA   VAL  81           HA       VAL  81   9.866  -7.071   5.169
  527    HB   VAL  81           HB       VAL  81   8.475  -5.177   4.606
  528   HG11  VAL  81          2HG1      VAL  81  11.366  -4.627   3.957
  529   HG12  VAL  81          1HG1      VAL  81  10.653  -4.697   5.568
  530   HG13  VAL  81          3HG1      VAL  81  10.174  -3.423   4.446
  531   HG21  VAL  81          3HG2      VAL  81   9.860  -5.185   1.925
  532   HG22  VAL  81          2HG2      VAL  81   8.768  -3.928   2.506
  533   HG23  VAL  81          1HG2      VAL  81   8.164  -5.562   2.230
  534    H    THR  82           H        THR  82   7.657  -7.583   5.319
  535    HA   THR  82           HA       THR  82   6.676  -9.202   3.076
  536    HB   THR  82           HB       THR  82   5.960  -9.349   6.018
  537    HG1  THR  82           HG1      THR  82   7.730 -10.525   6.013
  538   HG21  THR  82          3HG2      THR  82   5.106 -11.116   3.710
  539   HG22  THR  82          1HG2      THR  82   4.072  -9.955   4.544
  540   HG23  THR  82          2HG2      THR  82   4.700 -11.357   5.410
  541    H    ILE  83           H        ILE  83   5.142  -8.289   1.910
  542    HA   ILE  83           HA       ILE  83   3.391  -6.296   3.192
  543    HB   ILE  83           HB       ILE  83   3.205  -5.224   0.946
  544   HG12  ILE  83          2HG1      ILE  83   5.485  -7.090   0.261
  545   HG13  ILE  83          3HG1      ILE  83   3.863  -7.162  -0.417
  546   HG21  ILE  83          2HG2      ILE  83   5.973  -5.408   2.125
  547   HG22  ILE  83          1HG2      ILE  83   4.695  -4.293   2.610
  548   HG23  ILE  83          3HG2      ILE  83   5.426  -4.155   1.010
  549   HD11  ILE  83          3HD1      ILE  83   5.454  -6.133  -1.948
  550   HD12  ILE  83          2HD1      ILE  83   5.799  -4.882  -0.754
  551   HD13  ILE  83          1HD1      ILE  83   4.191  -5.001  -1.470
  552    H    SER  84           H        SER  84   1.232  -6.346   2.756
  553    HA   SER  84           HA       SER  84   0.287  -8.678   1.227
  554    HB2  SER  84           HB2      SER  84  -0.990  -7.376   3.644
  555    HB3  SER  84           HB3      SER  84  -1.670  -8.724   2.732
  556    HG   SER  84           HG       SER  84   0.861  -8.765   4.015
  557    H    GLU  85           H        GLU  85  -0.332  -7.950  -0.653
  558    HA   GLU  85           HA       GLU  85  -2.032  -5.556  -0.820
  559    HB2  GLU  85           HB2      GLU  85  -1.452  -5.650  -3.289
  560    HB3  GLU  85           HB3      GLU  85  -0.117  -5.263  -2.212
  561    HG2  GLU  85           HG2      GLU  85   0.712  -7.525  -2.362
  562    HG3  GLU  85           HG3      GLU  85  -0.679  -7.994  -3.336
  563    H    MET  86           H        MET  86  -4.130  -6.109  -0.812
  564    HA   MET  86           HA       MET  86  -5.014  -8.671  -1.730
  565    HB2  MET  86           HB2      MET  86  -6.156  -7.562   0.124
  566    HB3  MET  86           HB3      MET  86  -6.605  -6.230  -0.931
  567    HG2  MET  86           HG2      MET  86  -8.048  -7.623  -2.207
  568    HG3  MET  86           HG3      MET  86  -7.458  -9.067  -1.392
  569    HE1  MET  86           HE1      MET  86  -7.395  -8.364   1.648
  570    HE2  MET  86           HE2      MET  86  -9.023  -8.844   2.126
  571    HE3  MET  86           HE3      MET  86  -8.118  -9.823   0.969
  572    H    ASN  87           H        ASN  87  -5.070  -9.154  -3.769
  573    HA   ASN  87           HA       ASN  87  -5.660  -9.204  -5.943
  574    HB2  ASN  87           HB2      ASN  87  -7.839  -8.334  -5.433
  575    HB3  ASN  87           HB3      ASN  87  -7.214  -6.693  -5.299
  576   HD21  ASN  87          1HD2      ASN  87  -8.723  -6.018  -6.878
  577   HD22  ASN  87          2HD2      ASN  87  -8.464  -6.335  -8.557
  578    H    TYR  88           H        TYR  88  -4.970  -5.812  -5.063
  579    HA   TYR  88           HA       TYR  88  -3.610  -4.266  -5.986
  580    HB2  TYR  88           HB2      TYR  88  -1.677  -5.490  -5.738
  581    HB3  TYR  88           HB3      TYR  88  -2.232  -6.800  -6.765
  582    HD1  TYR  88           HD2      TYR  88  -1.420  -3.145  -7.154
  583    HD2  TYR  88           HD1      TYR  88  -1.086  -7.091  -8.713
  584    HE1  TYR  88           HE2      TYR  88  -0.074  -2.292  -9.030
  585    HE2  TYR  88           HE1      TYR  88   0.256  -6.247 -10.587
  586    HH   TYR  88           HH       TYR  88   0.695  -4.247 -11.777
  587    H    SER  89           H        SER  89  -3.611  -6.598  -8.675
  588    HA   SER  89           HA       SER  89  -5.553  -5.166 -10.209
  589    HB2  SER  89           HB2      SER  89  -2.634  -4.919 -10.992
  590    HB3  SER  89           HB3      SER  89  -3.980  -4.527 -12.059
  591    HG   SER  89           HG       SER  89  -4.199  -3.311  -9.634
  592    H    GLY  90           H        GLY  90  -5.879  -7.659  -9.663
  593    HA2  GLY  90           HA1      GLY  90  -5.697  -9.033 -12.132
  594    HA3  GLY  90           HA2      GLY  90  -4.461  -9.626 -11.033
  595    H    GLY  91           H        GLY  91  -5.059 -10.796  -9.199
  596    HA2  GLY  91           HA1      GLY  91  -7.560 -12.212  -9.531
  597    HA3  GLY  91           HA2      GLY  91  -6.300 -12.572  -8.359
  598    HA   PRO  92           HA       PRO  92  -9.742  -9.272  -6.930
  599    HB2  PRO  92           HB2      PRO  92 -11.742 -11.475  -7.013
  600    HB3  PRO  92           HB3      PRO  92 -11.951  -9.750  -7.338
  601    HG2  PRO  92           HG2      PRO  92 -11.887 -11.484  -9.343
  602    HG3  PRO  92           HG3      PRO  92 -11.071  -9.913  -9.483
  603    HD2  PRO  92           HD2      PRO  92  -9.901 -12.620  -8.966
  604    HD3  PRO  92           HD3      PRO  92  -9.282 -11.298  -9.979
  605    H    PHE  93           H        PHE  93  -9.142  -9.101  -4.918
  606    HA   PHE  93           HA       PHE  93  -9.028  -9.380  -2.690
  607    HB2  PHE  93           HB2      PHE  93 -10.826 -11.741  -3.209
  608    HB3  PHE  93           HB3      PHE  93 -10.263 -11.279  -1.603
  609    HD1  PHE  93           HD2      PHE  93 -12.151 -10.018  -4.546
  610    HD2  PHE  93           HD1      PHE  93 -11.385  -9.654  -0.377
  611    HE1  PHE  93           HE2      PHE  93 -14.020  -8.432  -4.343
  612    HE2  PHE  93           HE1      PHE  93 -13.251  -8.068  -0.170
  613    HZ   PHE  93           HZ       PHE  93 -14.572  -7.457  -2.152
  614    H    SER  94           H        SER  94  -7.440 -11.164  -4.831
  615    HA   SER  94           HA       SER  94  -6.294 -13.159  -3.170
  616    HB2  SER  94           HB2      SER  94  -5.141 -11.757  -5.591
  617    HB3  SER  94           HB3      SER  94  -4.424 -13.175  -4.810
  618    HG   SER  94           HG       SER  94  -5.665 -13.948  -6.461
  619    H    VAL  95           H        VAL  95  -5.939 -12.099  -1.196
  620    HA   VAL  95           HA       VAL  95  -4.275  -9.885  -0.887
  621    HB   VAL  95           HB       VAL  95  -5.606 -10.556   0.971
  622   HG11  VAL  95          2HG1      VAL  95  -5.252 -12.651   2.202
  623   HG12  VAL  95          1HG1      VAL  95  -4.079 -13.153   0.984
  624   HG13  VAL  95          3HG1      VAL  95  -5.771 -12.933   0.539
  625   HG21  VAL  95          3HG2      VAL  95  -3.961 -10.668   2.789
  626   HG22  VAL  95          2HG2      VAL  95  -3.523  -9.473   1.567
  627   HG23  VAL  95          1HG2      VAL  95  -2.701 -11.034   1.611
  628    H    SER  96           H        SER  96  -2.450  -9.912  -2.057
  629    HA   SER  96           HA       SER  96  -0.947 -12.345  -2.382
  630    HB2  SER  96           HB2      SER  96  -0.470  -9.569  -3.492
  631    HB3  SER  96           HB3      SER  96   0.363 -11.040  -3.999
  632    HG   SER  96           HG       SER  96  -2.448 -10.629  -4.152
  633    H    SER  97           H        SER  97   0.596 -12.954  -1.130
  634    HA   SER  97           HA       SER  97   1.867 -11.076   0.701
  635    HB2  SER  97           HB2      SER  97   2.351 -14.046   0.372
  636    HB3  SER  97           HB3      SER  97   2.876 -13.040   1.722
  637    HG   SER  97           HG       SER  97   0.163 -13.427   0.977
  638    H    ARG  98           H        ARG  98   3.307  -9.802  -0.341
  639    HA   ARG  98           HA       ARG  98   5.209 -11.033  -2.207
  640    HB2  ARG  98           HB2      ARG  98   4.980  -8.105  -1.546
  641    HB3  ARG  98           HB3      ARG  98   5.770  -8.834  -2.932
  642    HG2  ARG  98           HG2      ARG  98   2.816  -8.983  -2.460
  643    HG3  ARG  98           HG3      ARG  98   3.593  -7.687  -3.365
  644    HD2  ARG  98           HD2      ARG  98   4.588  -9.480  -4.833
  645    HD3  ARG  98           HD3      ARG  98   3.497 -10.616  -4.034
  646    HE   ARG  98           HE       ARG  98   2.085  -8.347  -4.988
  647   HH11  ARG  98          2HH1      ARG  98   3.589 -11.313  -6.113
  648   HH12  ARG  98          1HH1      ARG  98   2.532 -11.456  -7.490
  649   HH21  ARG  98          2HH2      ARG  98   0.734  -8.514  -6.750
  650   HH22  ARG  98          1HH2      ARG  98   0.917  -9.833  -7.880
  651    H    THR  99           H        THR  99   7.463 -10.346  -2.049
  652    HA   THR  99           HA       THR  99   8.333  -9.722   0.692
  653    HB   THR  99           HB       THR  99   9.723 -11.683  -1.154
  654    HG1  THR  99           HG1      THR  99   8.109 -12.140   1.174
  655   HG21  THR  99          3HG2      THR  99  11.223 -10.523   0.397
  656   HG22  THR  99          1HG2      THR  99  11.051 -12.223   0.837
  657   HG23  THR  99          2HG2      THR  99  10.187 -10.984   1.748
  658    H    ILE 100           H        ILE 100   9.187  -7.731   0.551
  659    HA   ILE 100           HA       ILE 100  10.625  -6.964  -1.896
  660    HB   ILE 100           HB       ILE 100   9.709  -5.248   0.416
  661   HG12  ILE 100          2HG1      ILE 100   7.805  -5.994  -0.864
  662   HG13  ILE 100          3HG1      ILE 100   8.121  -4.298  -1.228
  663   HG21  ILE 100          2HG2      ILE 100  10.971  -4.457  -2.201
  664   HG22  ILE 100          1HG2      ILE 100  11.699  -4.325  -0.600
  665   HG23  ILE 100          3HG2      ILE 100  10.295  -3.342  -1.014
  666   HD11  ILE 100          3HD1      ILE 100   9.173  -4.927  -3.326
  667   HD12  ILE 100          2HD1      ILE 100   7.537  -5.576  -3.227
  668   HD13  ILE 100          1HD1      ILE 100   8.922  -6.634  -2.959
  669    H    SER 101           H        SER 101  12.733  -7.480  -1.812
  670    HA   SER 101           HA       SER 101  14.204  -7.583   0.641
  671    HB2  SER 101           HB2      SER 101  15.288  -7.458  -2.184
  672    HB3  SER 101           HB3      SER 101  16.112  -8.082  -0.756
  673    HG   SER 101           HG       SER 101  14.156  -9.250  -2.342
  674    H    ALA 102           H        ALA 102  16.033  -6.178   1.172
  675    HA   ALA 102           HA       ALA 102  15.478  -3.476   1.212
  676    HB1  ALA 102           HB1      ALA 102  18.226  -4.719   1.328
  677    HB2  ALA 102           HB2      ALA 102  17.757  -3.139   1.956
  678    HB3  ALA 102           HB3      ALA 102  17.103  -4.607   2.684
  679    H    SER 103           H        SER 103  17.391  -5.288  -1.136
  680    HA   SER 103           HA       SER 103  18.415  -3.161  -2.626
  681    HB2  SER 103           HB2      SER 103  18.414  -4.880  -4.530
  682    HB3  SER 103           HB3      SER 103  19.290  -5.319  -3.063
  683    HG   SER 103           HG       SER 103  18.050  -7.004  -2.964
  684    H    GLU 104           H        GLU 104  15.274  -4.722  -2.712
  685    HA   GLU 104           HA       GLU 104  14.333  -3.190  -4.971
  686    HB2  GLU 104           HB2      GLU 104  12.968  -5.042  -3.024
  687    HB3  GLU 104           HB3      GLU 104  12.126  -4.218  -4.324
  688    HG2  GLU 104           HG2      GLU 104  13.248  -5.409  -5.974
  689    HG3  GLU 104           HG3      GLU 104  14.495  -5.960  -4.850
  690    H    ALA 105           H        ALA 105  14.040  -3.125  -1.464
  691    HA   ALA 105           HA       ALA 105  12.034  -1.252  -1.134
  692    HB1  ALA 105           HB1      ALA 105  13.075  -0.724   1.023
  693    HB2  ALA 105           HB2      ALA 105  13.040  -2.463   0.726
  694    HB3  ALA 105           HB3      ALA 105  14.541  -1.563   0.516
  695    H    GLY 106           H        GLY 106  15.366  -0.819  -2.067
  696    HA2  GLY 106           HA1      GLY 106  15.578   1.956  -1.771
  697    HA3  GLY 106           HA2      GLY 106  16.497   0.986  -2.907
  698    H    ASN 107           H        ASN 107  13.817   0.163  -4.231
  699    HA   ASN 107           HA       ASN 107  13.621   2.640  -5.816
  700    HB2  ASN 107           HB2      ASN 107  12.854   1.357  -7.686
  701    HB3  ASN 107           HB3      ASN 107  14.284   0.562  -7.051
  702   HD21  ASN 107          1HD2      ASN 107  10.764   0.401  -7.224
  703   HD22  ASN 107          2HD2      ASN 107  10.638  -1.291  -6.921
  704    H    TYR 108           H        TYR 108  12.014   1.256  -3.367
  705    HA   TYR 108           HA       TYR 108   9.367   1.889  -4.468
  706    HB2  TYR 108           HB2      TYR 108  10.195   0.118  -2.177
  707    HB3  TYR 108           HB3      TYR 108   8.527   0.617  -2.435
  708    HD1  TYR 108           HD2      TYR 108   7.755   0.264  -5.001
  709    HD2  TYR 108           HD1      TYR 108  10.761  -1.970  -2.991
  710    HE1  TYR 108           HE2      TYR 108   7.429  -1.587  -6.585
  711    HE2  TYR 108           HE1      TYR 108  10.439  -3.826  -4.567
  712    HH   TYR 108           HH       TYR 108   8.765  -4.691  -6.080
  713    H    ASN 109           H        ASN 109   8.184   3.475  -3.674
  714    HA   ASN 109           HA       ASN 109   9.275   5.144  -1.544
  715    HB2  ASN 109           HB2      ASN 109   6.700   5.541  -3.102
  716    HB3  ASN 109           HB3      ASN 109   7.540   6.749  -2.135
  717   HD21  ASN 109          1HD2      ASN 109   6.712   6.835  -4.903
  718   HD22  ASN 109          2HD2      ASN 109   8.139   7.138  -5.830
  719    H    TYR 110           H        TYR 110   7.852   5.745   0.279
  720    HA   TYR 110           HA       TYR 110   5.408   4.236   0.564
  721    HB2  TYR 110           HB2      TYR 110   5.888   3.120   2.567
  722    HB3  TYR 110           HB3      TYR 110   7.321   2.836   1.587
  723    HD1  TYR 110           HD1      TYR 110   9.244   4.624   1.950
  724    HD2  TYR 110           HD2      TYR 110   6.165   3.768   4.743
  725    HE1  TYR 110           HE1      TYR 110  10.636   5.527   3.756
  726    HE2  TYR 110           HE2      TYR 110   7.550   4.669   6.563
  727    HH   TYR 110           HH       TYR 110   9.878   5.112   7.070
  728    H    ILE 111           H        ILE 111   3.946   5.256   1.929
  729    HA   ILE 111           HA       ILE 111   4.787   7.984   2.588
  730    HB   ILE 111           HB       ILE 111   2.420   8.629   2.394
  731   HG12  ILE 111          2HG1      ILE 111   2.000   5.772   1.468
  732   HG13  ILE 111          3HG1      ILE 111   1.366   6.476   2.951
  733   HG21  ILE 111          2HG2      ILE 111   3.901   8.844   0.480
  734   HG22  ILE 111          1HG2      ILE 111   2.278   8.406  -0.054
  735   HG23  ILE 111          3HG2      ILE 111   3.548   7.183  -0.002
  736   HD11  ILE 111          3HD1      ILE 111   0.037   8.048   1.597
  737   HD12  ILE 111          2HD1      ILE 111  -0.366   6.359   1.279
  738   HD13  ILE 111          1HD1      ILE 111   0.635   7.257   0.135
  739    H    HIS 112           H        HIS 112   5.187   8.307   4.627
  740    HA   HIS 112           HA       HIS 112   3.548   6.884   6.611
  741    HB2  HIS 112           HB2      HIS 112   5.448   6.966   8.156
  742    HB3  HIS 112           HB3      HIS 112   5.878   6.121   6.678
  743    HD1  HIS 112           HD1      HIS 112   6.613   9.213   8.650
  744    HD2  HIS 112           HD2      HIS 112   7.943   7.316   5.158
  745    HE1  HIS 112           HE1      HIS 112   8.731  10.383   7.999
  746    HE2  HIS 112           HE2      HIS 112   9.599   9.123   6.012
  747    H    ILE 113           H        ILE 113   2.653   8.048   8.259
  748    HA   ILE 113           HA       ILE 113   2.021  10.739   7.667
  749    HB   ILE 113           HB       ILE 113   1.603   9.360  10.326
  750   HG12  ILE 113          2HG1      ILE 113  -0.185   9.274   7.885
  751   HG13  ILE 113          3HG1      ILE 113   0.806   7.939   8.461
  752   HG21  ILE 113          2HG2      ILE 113   0.157  11.611   8.934
  753   HG22  ILE 113          1HG2      ILE 113   1.105  11.701  10.419
  754   HG23  ILE 113          3HG2      ILE 113  -0.419  10.809  10.397
  755   HD11  ILE 113          3HD1      ILE 113  -1.522   7.682   9.121
  756   HD12  ILE 113          2HD1      ILE 113  -1.453   9.221   9.980
  757   HD13  ILE 113          1HD1      ILE 113  -0.472   7.861  10.527
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -6.588  -6.394  14.169
    2    H2   GLY   1           H2       GLY   1  -6.645  -7.138  15.695
    3    H3   GLY   1           H3       GLY   1  -5.312  -6.183  15.267
    4    HA2  GLY   1           HA2      GLY   1  -6.882  -5.072  16.806
    5    HA3  GLY   1           HA1      GLY   1  -6.578  -4.200  15.308
    6    H    SER   2           H        SER   2  -8.792  -3.502  16.609
    7    HA   SER   2           HA       SER   2 -11.031  -4.940  15.387
    8    HB2  SER   2           HB2      SER   2 -11.258  -4.299  17.758
    9    HB3  SER   2           HB3      SER   2 -11.009  -2.607  17.329
   10    HG   SER   2           HG       SER   2 -13.101  -4.098  16.151
   11    H    SER   3           H        SER   3 -11.365  -4.411  13.336
   12    HA   SER   3           HA       SER   3 -10.464  -1.897  12.275
   13    HB2  SER   3           HB2      SER   3 -11.952  -4.179  10.950
   14    HB3  SER   3           HB3      SER   3 -11.221  -2.810  10.111
   15    HG   SER   3           HG       SER   3  -9.201  -3.486  10.820
   16    H    ILE   4           H        ILE   4 -11.674  -0.235  13.008
   17    HA   ILE   4           HA       ILE   4 -14.532  -0.288  12.319
   18    HB   ILE   4           HB       ILE   4 -14.715   1.731  13.829
   19   HG12  ILE   4          2HG1      ILE   4 -12.001   0.781  14.786
   20   HG13  ILE   4          3HG1      ILE   4 -12.295   2.271  13.896
   21   HG21  ILE   4          2HG2      ILE   4 -13.891  -0.899  15.051
   22   HG22  ILE   4          1HG2      ILE   4 -15.508  -0.456  14.500
   23   HG23  ILE   4          3HG2      ILE   4 -14.785   0.376  15.879
   24   HD11  ILE   4          3HD1      ILE   4 -12.041   2.686  16.278
   25   HD12  ILE   4          2HD1      ILE   4 -13.395   1.609  16.616
   26   HD13  ILE   4          1HD1      ILE   4 -13.663   3.108  15.726
   27    H    SER   5           H        SER   5 -13.427  -0.034  10.143
   28    HA   SER   5           HA       SER   5 -12.385   2.608   9.567
   29    HB2  SER   5           HB2      SER   5 -12.244   1.521   7.205
   30    HB3  SER   5           HB3      SER   5 -11.169   0.927   8.471
   31    HG   SER   5           HG       SER   5 -12.086  -0.856   7.509
   32    H    HIS   6           H        HIS   6 -14.919   2.850  10.423
   33    HA   HIS   6           HA       HIS   6 -16.939   3.764   9.979
   34    HB2  HIS   6           HB2      HIS   6 -15.785   4.106   7.204
   35    HB3  HIS   6           HB3      HIS   6 -17.366   4.714   7.683
   36    HD1  HIS   6           HD1      HIS   6 -13.825   5.610   7.631
   37    HD2  HIS   6           HD2      HIS   6 -17.200   6.740   9.787
   38    HE1  HIS   6           HE1      HIS   6 -13.223   7.780   8.743
   39    HE2  HIS   6           HE2      HIS   6 -15.326   8.525   9.909
   40    H    SER   7           H        SER   7 -16.335   2.160   6.876
   41    HA   SER   7           HA       SER   7 -18.029  -0.066   7.618
   42    HB2  SER   7           HB2      SER   7 -18.742   1.700   5.255
   43    HB3  SER   7           HB3      SER   7 -19.548   0.196   5.701
   44    HG   SER   7           HG       SER   7 -19.522   1.731   7.850
   45    H    GLY   8           H        GLY   8 -15.245   0.800   6.633
   46    HA2  GLY   8           HA1      GLY   8 -13.969  -1.137   5.625
   47    HA3  GLY   8           HA2      GLY   8 -15.085  -0.961   4.275
   48    H    ASN   9           H        ASN   9 -15.061   1.064   3.099
   49    HA   ASN   9           HA       ASN   9 -13.060   3.019   3.430
   50    HB2  ASN   9           HB2      ASN   9 -11.564   1.145   2.824
   51    HB3  ASN   9           HB3      ASN   9 -12.476   0.899   1.343
   52   HD21  ASN   9          1HD2      ASN   9 -10.512   1.146   0.234
   53   HD22  ASN   9          2HD2      ASN   9  -9.849   2.709  -0.080
   54    H    LEU  10           H        LEU  10 -12.905   4.404   1.413
   55    HA   LEU  10           HA       LEU  10 -15.575   4.784   0.361
   56    HB2  LEU  10           HB2      LEU  10 -13.013   6.303  -0.089
   57    HB3  LEU  10           HB3      LEU  10 -14.594   6.816  -0.649
   58    HG   LEU  10           HG       LEU  10 -13.738   6.545   2.236
   59   HD11  LEU  10          2HD1      LEU  10 -12.745   8.468   1.105
   60   HD12  LEU  10          1HD1      LEU  10 -13.945   8.969   2.295
   61   HD13  LEU  10          3HD1      LEU  10 -14.345   8.990   0.579
   62   HD21  LEU  10          3HD2      LEU  10 -15.902   7.528   2.777
   63   HD22  LEU  10          2HD2      LEU  10 -16.100   5.993   1.935
   64   HD23  LEU  10          1HD2      LEU  10 -16.348   7.510   1.071
   65    H    TYR  11           H        TYR  11 -12.765   3.172  -0.605
   66    HA   TYR  11           HA       TYR  11 -13.028   3.635  -3.428
   67    HB2  TYR  11           HB2      TYR  11 -10.876   3.104  -2.069
   68    HB3  TYR  11           HB3      TYR  11 -11.390   1.426  -2.212
   69    HD1  TYR  11           HD1      TYR  11 -10.879   4.435  -4.354
   70    HD2  TYR  11           HD2      TYR  11 -10.596   0.210  -4.009
   71    HE1  TYR  11           HE1      TYR  11  -9.866   4.328  -6.595
   72    HE2  TYR  11           HE2      TYR  11  -9.582   0.086  -6.247
   73    HH   TYR  11           HH       TYR  11  -9.533   1.426  -8.314
   74    H    THR  12           H        THR  12 -12.586   1.057  -4.455
   75    HA   THR  12           HA       THR  12 -15.276   0.300  -4.849
   76    HB   THR  12           HB       THR  12 -12.883  -1.347  -5.645
   77    HG1  THR  12           HG1      THR  12 -12.701   0.064  -7.440
   78   HG21  THR  12          3HG2      THR  12 -15.099  -2.297  -6.127
   79   HG22  THR  12          1HG2      THR  12 -14.250  -1.860  -7.610
   80   HG23  THR  12          2HG2      THR  12 -15.540  -0.826  -6.995
   81    H    ALA  13           H        ALA  13 -13.077  -2.360  -4.426
   82    HA   ALA  13           HA       ALA  13 -13.777  -3.171  -1.839
   83    HB1  ALA  13           HB1      ALA  13 -15.319  -5.011  -2.348
   84    HB2  ALA  13           HB2      ALA  13 -16.018  -3.447  -2.768
   85    HB3  ALA  13           HB3      ALA  13 -15.375  -4.493  -4.033
   86    H    GLY  14           H        GLY  14 -12.205  -4.505  -1.249
   87    HA2  GLY  14           HA1      GLY  14 -10.496  -6.029  -1.340
   88    HA3  GLY  14           HA2      GLY  14 -11.391  -6.788  -2.649
   89    H    GLN  15           H        GLN  15 -10.129  -3.519  -2.651
   90    HA   GLN  15           HA       GLN  15  -8.493  -4.218  -4.987
   91    HB2  GLN  15           HB2      GLN  15  -9.436  -1.525  -3.982
   92    HB3  GLN  15           HB3      GLN  15  -8.476  -1.783  -5.433
   93    HG2  GLN  15           HG2      GLN  15 -11.182  -3.013  -5.008
   94    HG3  GLN  15           HG3      GLN  15 -10.934  -1.452  -5.791
   95   HE21  GLN  15          1HE2      GLN  15 -10.208  -4.865  -5.977
   96   HE22  GLN  15          2HE2      GLN  15  -9.974  -4.917  -7.695
   97    H    CYS  16           H        CYS  16  -6.411  -3.009  -5.213
   98    HA   CYS  16           HA       CYS  16  -4.707  -3.521  -3.048
   99    HB2  CYS  16           HB2      CYS  16  -3.068  -2.086  -4.375
  100    HB3  CYS  16           HB3      CYS  16  -3.735  -3.486  -5.207
  101    HG   CYS  16           HG       CYS  16  -4.754  -2.220  -7.201
  102    H    THR  17           H        THR  17  -6.175  -0.532  -4.224
  103    HA   THR  17           HA       THR  17  -4.911   1.022  -2.119
  104    HB   THR  17           HB       THR  17  -6.211   2.920  -3.135
  105    HG1  THR  17           HG1      THR  17  -7.430   2.543  -4.930
  106   HG21  THR  17          3HG2      THR  17  -4.884   3.031  -5.190
  107   HG22  THR  17          1HG2      THR  17  -4.503   1.316  -5.034
  108   HG23  THR  17          2HG2      THR  17  -3.915   2.461  -3.830
  109    H    TRP  18           H        TRP  18  -7.374  -1.041  -2.164
  110    HA   TRP  18           HA       TRP  18  -9.157   0.500  -0.440
  111    HB2  TRP  18           HB2      TRP  18 -10.073  -0.808  -2.355
  112    HB3  TRP  18           HB3      TRP  18  -9.477  -2.274  -1.593
  113    HD1  TRP  18           HD1      TRP  18 -12.231   0.356  -1.297
  114    HE1  TRP  18           HE1      TRP  18 -14.085  -0.584   0.223
  115    HE3  TRP  18           HE3      TRP  18  -9.869  -3.861   0.383
  116    HZ2  TRP  18           HZ2      TRP  18 -14.488  -2.795   1.924
  117    HZ3  TRP  18           HZ3      TRP  18 -11.062  -5.326   1.956
  118    HH2  TRP  18           HH2      TRP  18 -13.320  -4.807   2.711
  119    H    TYR  19           H        TYR  19  -7.473  -2.636  -0.537
  120    HA   TYR  19           HA       TYR  19  -7.942  -3.381   2.133
  121    HB2  TYR  19           HB2      TYR  19  -7.202  -4.967   0.429
  122    HB3  TYR  19           HB3      TYR  19  -5.670  -4.117   0.276
  123    HD1  TYR  19           HD2      TYR  19  -7.741  -5.901   2.820
  124    HD2  TYR  19           HD1      TYR  19  -3.842  -4.873   1.469
  125    HE1  TYR  19           HE2      TYR  19  -6.766  -7.365   4.539
  126    HE2  TYR  19           HE1      TYR  19  -2.854  -6.341   3.177
  127    HH   TYR  19           HH       TYR  19  -3.429  -7.345   5.304
  128    H    VAL  20           H        VAL  20  -5.315  -1.600   0.614
  129    HA   VAL  20           HA       VAL  20  -3.599  -1.286   2.769
  130    HB   VAL  20           HB       VAL  20  -4.219   0.493   0.421
  131   HG11  VAL  20          2HG1      VAL  20  -2.268   1.851   1.008
  132   HG12  VAL  20          1HG1      VAL  20  -2.117   0.970   2.529
  133   HG13  VAL  20          3HG1      VAL  20  -3.536   1.972   2.228
  134   HG21  VAL  20          3HG2      VAL  20  -1.989  -0.208  -0.298
  135   HG22  VAL  20          2HG2      VAL  20  -3.040  -1.595  -0.015
  136   HG23  VAL  20          1HG2      VAL  20  -1.813  -1.162   1.174
  137    H    TYR  21           H        TYR  21  -6.486   0.582   1.917
  138    HA   TYR  21           HA       TYR  21  -6.005   2.568   3.905
  139    HB2  TYR  21           HB2      TYR  21  -7.333   2.939   1.787
  140    HB3  TYR  21           HB3      TYR  21  -8.632   2.007   2.533
  141    HD1  TYR  21           HD1      TYR  21  -6.527   5.027   3.019
  142    HD2  TYR  21           HD2      TYR  21 -10.138   3.001   3.993
  143    HE1  TYR  21           HE1      TYR  21  -7.306   7.013   4.237
  144    HE2  TYR  21           HE2      TYR  21 -10.940   4.982   5.184
  145    HH   TYR  21           HH       TYR  21  -9.641   7.991   4.885
  146    H    ASP  22           H        ASP  22  -7.936  -0.372   3.741
  147    HA   ASP  22           HA       ASP  22  -9.310   0.072   6.192
  148    HB2  ASP  22           HB2      ASP  22 -10.205  -1.496   4.569
  149    HB3  ASP  22           HB3      ASP  22  -8.766  -2.502   4.700
  150    H    LYS  23           H        LYS  23  -6.283  -1.529   5.347
  151    HA   LYS  23           HA       LYS  23  -5.782  -2.715   7.849
  152    HB2  LYS  23           HB2      LYS  23  -3.961  -1.876   5.609
  153    HB3  LYS  23           HB3      LYS  23  -3.329  -2.586   7.090
  154    HG2  LYS  23           HG2      LYS  23  -5.331  -3.882   5.252
  155    HG3  LYS  23           HG3      LYS  23  -3.603  -4.239   5.305
  156    HD2  LYS  23           HD2      LYS  23  -5.558  -4.617   7.576
  157    HD3  LYS  23           HD3      LYS  23  -4.904  -5.897   6.554
  158    HE2  LYS  23           HE2      LYS  23  -2.648  -5.377   7.346
  159    HE3  LYS  23           HE3      LYS  23  -3.298  -4.090   8.359
  160    HZ1  LYS  23           HZ1      LYS  23  -3.835  -6.998   8.627
  161    HZ2  LYS  23           HZ2      LYS  23  -4.605  -5.795   9.540
  162    HZ3  LYS  23           HZ3      LYS  23  -2.935  -6.030   9.689
  163    H    VAL  24           H        VAL  24  -5.008   0.524   6.627
  164    HA   VAL  24           HA       VAL  24  -3.605   1.209   9.056
  165    HB   VAL  24           HB       VAL  24  -3.488   3.495   8.178
  166   HG11  VAL  24          2HG1      VAL  24  -2.149   3.007   6.179
  167   HG12  VAL  24          1HG1      VAL  24  -2.815   1.375   6.139
  168   HG13  VAL  24          3HG1      VAL  24  -1.807   1.884   7.495
  169   HG21  VAL  24          3HG2      VAL  24  -5.147   2.440   5.884
  170   HG22  VAL  24          2HG2      VAL  24  -4.372   4.022   5.945
  171   HG23  VAL  24          1HG2      VAL  24  -5.660   3.627   7.083
  172    H    GLY  25           H        GLY  25  -6.818   0.959   8.145
  173    HA2  GLY  25           HA1      GLY  25  -8.656   1.100   9.541
  174    HA3  GLY  25           HA2      GLY  25  -7.625   1.804  10.775
  175    H    GLY  26           H        GLY  26  -7.957   3.075   7.519
  176    HA2  GLY  26           HA1      GLY  26  -8.849   5.062   6.761
  177    HA3  GLY  26           HA2      GLY  26  -9.860   5.086   8.201
  178    H    GLU  27           H        GLU  27  -6.407   5.393   7.417
  179    HA   GLU  27           HA       GLU  27  -6.297   7.657   9.282
  180    HB2  GLU  27           HB2      GLU  27  -5.287   5.653  10.268
  181    HB3  GLU  27           HB3      GLU  27  -4.211   5.511   8.889
  182    HG2  GLU  27           HG2      GLU  27  -3.091   7.547   9.486
  183    HG3  GLU  27           HG3      GLU  27  -4.253   7.850  10.780
  184    H    ILE  28           H        ILE  28  -4.606   6.101   6.568
  185    HA   ILE  28           HA       ILE  28  -3.657   8.769   5.788
  186    HB   ILE  28           HB       ILE  28  -1.820   7.545   4.562
  187   HG12  ILE  28          2HG1      ILE  28  -1.344   5.271   5.885
  188   HG13  ILE  28          3HG1      ILE  28  -3.112   5.253   5.959
  189   HG21  ILE  28          2HG2      ILE  28  -1.396   8.740   6.613
  190   HG22  ILE  28          1HG2      ILE  28  -0.449   7.252   6.574
  191   HG23  ILE  28          3HG2      ILE  28  -1.906   7.344   7.564
  192   HD11  ILE  28          3HD1      ILE  28  -3.181   5.404   3.510
  193   HD12  ILE  28          2HD1      ILE  28  -2.350   3.961   4.091
  194   HD13  ILE  28          1HD1      ILE  28  -1.417   5.329   3.477
  195    H    GLY  29           H        GLY  29  -4.193   9.547   3.861
  196    HA2  GLY  29           HA1      GLY  29  -4.270   9.512   1.559
  197    HA3  GLY  29           HA2      GLY  29  -4.219   7.761   1.608
  198    H    SER  30           H        SER  30  -5.907   6.819   0.831
  199    HA   SER  30           HA       SER  30  -7.868   6.433  -0.167
  200    HB2  SER  30           HB2      SER  30  -9.942   7.139   0.773
  201    HB3  SER  30           HB3      SER  30  -8.848   6.842   2.118
  202    HG   SER  30           HG       SER  30  -8.453   9.216   1.990
  203    H    THR  31           H        THR  31  -7.138   9.833   0.294
  204    HA   THR  31           HA       THR  31  -8.376  10.566  -2.232
  205    HB   THR  31           HB       THR  31  -7.555  12.865  -1.581
  206    HG1  THR  31           HG1      THR  31  -6.999  12.862   0.819
  207   HG21  THR  31          3HG2      THR  31  -9.195  13.160   0.219
  208   HG22  THR  31          1HG2      THR  31  -9.253  11.413   0.462
  209   HG23  THR  31          2HG2      THR  31  -9.833  12.116  -1.049
  210    H    TRP  32           H        TRP  32  -5.795   8.901  -1.688
  211    HA   TRP  32           HA       TRP  32  -3.676  10.435  -2.813
  212    HB2  TRP  32           HB2      TRP  32  -2.483   8.211  -2.873
  213    HB3  TRP  32           HB3      TRP  32  -3.063   8.721  -1.289
  214    HD1  TRP  32           HD1      TRP  32  -5.031   6.987  -4.084
  215    HE1  TRP  32           HE1      TRP  32  -6.038   4.850  -3.146
  216    HE3  TRP  32           HE3      TRP  32  -2.947   7.085   0.567
  217    HZ2  TRP  32           HZ2      TRP  32  -5.966   3.345  -0.749
  218    HZ3  TRP  32           HZ3      TRP  32  -3.465   5.250   2.130
  219    HH2  TRP  32           HH2      TRP  32  -4.942   3.420   1.480
  220    H    GLY  33           H        GLY  33  -6.270   8.727  -4.119
  221    HA2  GLY  33           HA1      GLY  33  -6.905   8.132  -6.209
  222    HA3  GLY  33           HA2      GLY  33  -5.881   9.447  -6.760
  223    H    ASN  34           H        ASN  34  -5.901   6.060  -5.839
  224    HA   ASN  34           HA       ASN  34  -4.898   4.230  -6.621
  225    HB2  ASN  34           HB2      ASN  34  -4.213   5.843  -9.070
  226    HB3  ASN  34           HB3      ASN  34  -4.298   4.091  -8.938
  227   HD21  ASN  34          1HD2      ASN  34  -6.391   3.161  -8.434
  228   HD22  ASN  34          2HD2      ASN  34  -7.820   3.938  -9.012
  229    H    ALA  35           H        ALA  35  -2.801   3.319  -7.582
  230    HA   ALA  35           HA       ALA  35  -0.964   3.927  -5.511
  231    HB1  ALA  35           HB1      ALA  35   0.276   2.019  -6.328
  232    HB2  ALA  35           HB2      ALA  35  -1.450   1.657  -6.256
  233    HB3  ALA  35           HB3      ALA  35  -0.686   2.008  -7.807
  234    H    ASN  36           H        ASN  36  -0.861   4.470  -9.019
  235    HA   ASN  36           HA       ASN  36   1.928   5.184  -8.911
  236    HB2  ASN  36           HB2      ASN  36   1.666   5.758 -11.315
  237    HB3  ASN  36           HB3      ASN  36   1.164   4.116 -10.919
  238   HD21  ASN  36          1HD2      ASN  36   0.017   4.161 -12.908
  239   HD22  ASN  36          2HD2      ASN  36  -1.533   4.920 -13.017
  240    H    ASN  37           H        ASN  37  -0.761   6.788  -7.991
  241    HA   ASN  37           HA       ASN  37   0.493   9.407  -8.502
  242    HB2  ASN  37           HB2      ASN  37  -1.772   9.053  -9.542
  243    HB3  ASN  37           HB3      ASN  37  -2.428   8.843  -7.927
  244   HD21  ASN  37          1HD2      ASN  37  -2.823  10.602  -6.672
  245   HD22  ASN  37          2HD2      ASN  37  -2.660  12.235  -7.245
  246    H    TRP  38           H        TRP  38   0.461   7.123  -6.368
  247    HA   TRP  38           HA       TRP  38  -0.791   7.914  -4.046
  248    HB2  TRP  38           HB2      TRP  38   1.087   5.912  -4.820
  249    HB3  TRP  38           HB3      TRP  38   1.630   6.648  -3.308
  250    HD1  TRP  38           HD1      TRP  38  -1.962   5.769  -4.470
  251    HE1  TRP  38           HE1      TRP  38  -3.034   4.347  -2.642
  252    HE3  TRP  38           HE3      TRP  38   2.047   5.363  -1.355
  253    HZ2  TRP  38           HZ2      TRP  38  -2.265   3.215  -0.113
  254    HZ3  TRP  38           HZ3      TRP  38   1.811   4.103   0.731
  255    HH2  TRP  38           HH2      TRP  38  -0.297   3.046   1.333
  256    H    ALA  39           H        ALA  39   2.711   8.255  -4.678
  257    HA   ALA  39           HA       ALA  39   3.288   9.644  -2.343
  258    HB1  ALA  39           HB1      ALA  39   5.389  10.283  -3.416
  259    HB2  ALA  39           HB2      ALA  39   5.004   8.587  -3.708
  260    HB3  ALA  39           HB3      ALA  39   4.745   9.784  -4.979
  261    H    ALA  40           H        ALA  40   2.368  10.876  -5.517
  262    HA   ALA  40           HA       ALA  40   2.816  13.602  -5.034
  263    HB1  ALA  40           HB1      ALA  40   1.320  13.994  -6.919
  264    HB2  ALA  40           HB2      ALA  40   2.438  12.673  -7.262
  265    HB3  ALA  40           HB3      ALA  40   0.764  12.323  -6.831
  266    H    ALA  41           H        ALA  41  -0.219  11.741  -4.812
  267    HA   ALA  41           HA       ALA  41  -1.724  13.912  -3.767
  268    HB1  ALA  41           HB1      ALA  41  -2.775  12.073  -4.972
  269    HB2  ALA  41           HB2      ALA  41  -2.304  10.942  -3.701
  270    HB3  ALA  41           HB3      ALA  41  -3.462  12.229  -3.356
  271    H    ALA  42           H        ALA  42   0.046  11.260  -2.325
  272    HA   ALA  42           HA       ALA  42  -0.908  11.473   0.318
  273    HB1  ALA  42           HB1      ALA  42   1.732  10.462  -0.724
  274    HB2  ALA  42           HB2      ALA  42   1.113  10.206   0.906
  275    HB3  ALA  42           HB3      ALA  42   0.264   9.518  -0.477
  276    H    GLN  43           H        GLN  43   1.989  12.850  -1.245
  277    HA   GLN  43           HA       GLN  43   2.963  14.135   1.073
  278    HB2  GLN  43           HB2      GLN  43   3.456  14.657  -1.858
  279    HB3  GLN  43           HB3      GLN  43   4.295  15.513  -0.573
  280    HG2  GLN  43           HG2      GLN  43   5.271  13.462   0.220
  281    HG3  GLN  43           HG3      GLN  43   4.338  12.529  -0.952
  282   HE21  GLN  43          1HE2      GLN  43   7.246  12.789  -0.540
  283   HE22  GLN  43          2HE2      GLN  43   7.884  13.288  -2.076
  284    H    GLY  44           H        GLY  44   0.588  15.038  -1.312
  285    HA2  GLY  44           HA1      GLY  44   0.407  17.785  -0.521
  286    HA3  GLY  44           HA2      GLY  44  -0.771  16.898  -1.479
  287    H    ALA  45           H        ALA  45  -0.919  14.805   0.650
  288    HA   ALA  45           HA       ALA  45  -2.954  16.096   2.255
  289    HB1  ALA  45           HB1      ALA  45  -3.538  13.875   2.992
  290    HB2  ALA  45           HB2      ALA  45  -3.316  13.860   1.243
  291    HB3  ALA  45           HB3      ALA  45  -2.057  13.217   2.297
  292    H    GLY  46           H        GLY  46   0.337  15.621   2.505
  293    HA2  GLY  46           HA1      GLY  46   1.580  16.564   4.287
  294    HA3  GLY  46           HA2      GLY  46   0.213  16.281   5.353
  295    H    PHE  47           H        PHE  47   1.948  14.044   3.190
  296    HA   PHE  47           HA       PHE  47   2.505  12.370   5.553
  297    HB2  PHE  47           HB2      PHE  47   2.376  11.562   2.639
  298    HB3  PHE  47           HB3      PHE  47   2.775  10.488   3.969
  299    HD1  PHE  47           HD1      PHE  47   0.282  12.636   5.147
  300    HD2  PHE  47           HD2      PHE  47   0.876   9.309   2.566
  301    HE1  PHE  47           HE1      PHE  47  -2.101  12.058   5.341
  302    HE2  PHE  47           HE2      PHE  47  -1.503   8.721   2.744
  303    HZ   PHE  47           HZ       PHE  47  -2.993  10.110   4.137
  304    H    THR  48           H        THR  48   4.542  11.234   5.587
  305    HA   THR  48           HA       THR  48   6.698  12.695   4.202
  306    HB   THR  48           HB       THR  48   7.027  10.960   6.652
  307    HG1  THR  48           HG1      THR  48   5.754  12.470   7.531
  308   HG21  THR  48          3HG2      THR  48   8.643  13.266   5.553
  309   HG22  THR  48          1HG2      THR  48   9.060  11.559   5.412
  310   HG23  THR  48          2HG2      THR  48   9.025  12.329   6.998
  311    H    VAL  49           H        VAL  49   7.593  11.568   2.538
  312    HA   VAL  49           HA       VAL  49   7.498   8.633   2.711
  313    HB   VAL  49           HB       VAL  49   7.248   8.425   0.460
  314   HG11  VAL  49          2HG1      VAL  49   6.122  11.182   0.914
  315   HG12  VAL  49          1HG1      VAL  49   5.314   9.647   1.235
  316   HG13  VAL  49          3HG1      VAL  49   5.702  10.110  -0.422
  317   HG21  VAL  49          3HG2      VAL  49   8.006   9.932  -1.263
  318   HG22  VAL  49          2HG2      VAL  49   9.330   9.555  -0.161
  319   HG23  VAL  49          1HG2      VAL  49   8.507  11.114  -0.048
  320    H    ASN  50           H        ASN  50   9.316   7.497   2.852
  321    HA   ASN  50           HA       ASN  50  11.880   8.880   2.361
  322    HB2  ASN  50           HB2      ASN  50  11.449   6.676   4.385
  323    HB3  ASN  50           HB3      ASN  50  12.882   7.672   4.182
  324   HD21  ASN  50          1HD2      ASN  50  11.051   7.126   6.446
  325   HD22  ASN  50          2HD2      ASN  50  10.589   8.688   7.027
  326    H    HIS  51           H        HIS  51   9.921   6.868   1.040
  327    HA   HIS  51           HA       HIS  51   9.824   4.797   0.143
  328    HB2  HIS  51           HB2      HIS  51  11.376   4.523  -1.764
  329    HB3  HIS  51           HB3      HIS  51  10.668   6.125  -1.689
  330    HD1  HIS  51           HD1      HIS  51  13.851   4.366  -1.917
  331    HD2  HIS  51           HD2      HIS  51  12.567   8.166  -0.820
  332    HE1  HIS  51           HE1      HIS  51  15.902   5.823  -1.993
  333    HE2  HIS  51           HE2      HIS  51  15.054   8.155  -1.541
  334    H    THR  52           H        THR  52  10.189   3.807   2.227
  335    HA   THR  52           HA       THR  52  12.064   1.660   1.968
  336    HB   THR  52           HB       THR  52  12.314   3.462   4.405
  337    HG1  THR  52           HG1      THR  52  13.558   3.563   1.998
  338   HG21  THR  52          3HG2      THR  52  14.177   1.977   5.003
  339   HG22  THR  52          1HG2      THR  52  13.829   0.972   3.597
  340   HG23  THR  52          2HG2      THR  52  12.654   1.094   4.905
  341    HA   PRO  53           HA       PRO  53   8.025   0.328   3.584
  342    HB2  PRO  53           HB2      PRO  53   8.688  -2.359   3.463
  343    HB3  PRO  53           HB3      PRO  53   7.972  -1.427   2.144
  344    HG2  PRO  53           HG2      PRO  53  10.842  -2.127   2.633
  345    HG3  PRO  53           HG3      PRO  53   9.934  -2.119   1.108
  346    HD2  PRO  53           HD2      PRO  53  11.605  -0.137   1.711
  347    HD3  PRO  53           HD3      PRO  53  10.053   0.189   0.903
  348    H    SER  54           H        SER  54   7.258  -0.613   5.471
  349    HA   SER  54           HA       SER  54   8.953  -1.722   7.475
  350    HB2  SER  54           HB2      SER  54   9.605   0.686   7.617
  351    HB3  SER  54           HB3      SER  54   7.919   1.096   7.928
  352    HG   SER  54           HG       SER  54   9.655   0.583   9.729
  353    H    LYS  55           H        LYS  55   7.689  -2.164   9.469
  354    HA   LYS  55           HA       LYS  55   5.151  -3.206   8.833
  355    HB2  LYS  55           HB2      LYS  55   6.473  -4.202  10.593
  356    HB3  LYS  55           HB3      LYS  55   6.475  -2.700  11.504
  357    HG2  LYS  55           HG2      LYS  55   4.033  -2.911  11.786
  358    HG3  LYS  55           HG3      LYS  55   4.099  -4.466  10.960
  359    HD2  LYS  55           HD2      LYS  55   5.627  -3.819  13.480
  360    HD3  LYS  55           HD3      LYS  55   4.054  -4.613  13.459
  361    HE2  LYS  55           HE2      LYS  55   5.483  -6.415  13.591
  362    HE3  LYS  55           HE3      LYS  55   5.228  -6.290  11.851
  363    HZ1  LYS  55           HZ1      LYS  55   7.595  -5.428  13.415
  364    HZ2  LYS  55           HZ2      LYS  55   7.331  -4.921  11.823
  365    HZ3  LYS  55           HZ3      LYS  55   7.522  -6.566  12.161
  366    H    GLY  56           H        GLY  56   3.184  -2.300   8.822
  367    HA2  GLY  56           HA1      GLY  56   1.448  -0.936   9.603
  368    HA3  GLY  56           HA2      GLY  56   2.612  -0.047  10.575
  369    H    ALA  57           H        ALA  57   3.670  -0.505   7.417
  370    HA   ALA  57           HA       ALA  57   2.582   2.093   6.562
  371    HB1  ALA  57           HB1      ALA  57   4.938   2.332   7.197
  372    HB2  ALA  57           HB2      ALA  57   5.370   1.071   6.040
  373    HB3  ALA  57           HB3      ALA  57   4.689   2.594   5.469
  374    H    ILE  58           H        ILE  58   3.475   2.142   3.962
  375    HA   ILE  58           HA       ILE  58   2.402  -0.340   2.822
  376    HB   ILE  58           HB       ILE  58   1.514   2.403   1.929
  377   HG12  ILE  58          2HG1      ILE  58  -0.772   1.390   2.738
  378   HG13  ILE  58          3HG1      ILE  58   0.252   0.400   3.767
  379   HG21  ILE  58          2HG2      ILE  58  -0.111   1.142   0.571
  380   HG22  ILE  58          1HG2      ILE  58   0.662  -0.360   1.080
  381   HG23  ILE  58          3HG2      ILE  58   1.561   0.818   0.119
  382   HD11  ILE  58          3HD1      ILE  58   1.188   2.409   4.778
  383   HD12  ILE  58          2HD1      ILE  58  -0.570   2.367   4.936
  384   HD13  ILE  58          1HD1      ILE  58   0.185   3.409   3.727
  385    H    LEU  59           H        LEU  59   3.225  -0.957   0.926
  386    HA   LEU  59           HA       LEU  59   5.654   0.296  -0.020
  387    HB2  LEU  59           HB2      LEU  59   5.074  -2.216   0.257
  388    HB3  LEU  59           HB3      LEU  59   4.181  -2.038  -1.235
  389    HG   LEU  59           HG       LEU  59   6.468  -1.126  -2.124
  390   HD11  LEU  59          2HD1      LEU  59   7.581  -1.126   0.033
  391   HD12  LEU  59          1HD1      LEU  59   8.361  -2.254  -1.076
  392   HD13  LEU  59          3HD1      LEU  59   7.297  -2.861   0.192
  393   HD21  LEU  59          3HD2      LEU  59   7.036  -3.418  -2.802
  394   HD22  LEU  59          2HD2      LEU  59   5.316  -3.074  -2.983
  395   HD23  LEU  59          1HD2      LEU  59   5.883  -4.040  -1.619
  396    H    GLN  60           H        GLN  60   5.902   1.285  -2.071
  397    HA   GLN  60           HA       GLN  60   3.542   1.487  -3.782
  398    HB2  GLN  60           HB2      GLN  60   3.408   3.335  -2.119
  399    HB3  GLN  60           HB3      GLN  60   4.964   3.924  -2.678
  400    HG2  GLN  60           HG2      GLN  60   2.692   3.637  -4.595
  401    HG3  GLN  60           HG3      GLN  60   2.776   5.024  -3.513
  402   HE21  GLN  60          1HE2      GLN  60   2.896   4.995  -6.394
  403   HE22  GLN  60          2HE2      GLN  60   4.414   5.709  -6.827
  404    H    SER  61           H        SER  61   3.932   1.892  -5.882
  405    HA   SER  61           HA       SER  61   6.555   2.641  -6.831
  406    HB2  SER  61           HB2      SER  61   6.795   0.209  -6.548
  407    HB3  SER  61           HB3      SER  61   5.342  -0.051  -7.513
  408    HG   SER  61           HG       SER  61   7.606  -0.130  -8.518
  409    H    SER  62           H        SER  62   6.538   2.878  -9.216
  410    HA   SER  62           HA       SER  62   3.828   3.438 -10.234
  411    HB2  SER  62           HB2      SER  62   6.401   4.775 -11.105
  412    HB3  SER  62           HB3      SER  62   4.754   5.248 -11.525
  413    HG   SER  62           HG       SER  62   4.894   6.494  -9.838
  414    H    GLU  63           H        GLU  63   5.762   1.046 -10.320
  415    HA   GLU  63           HA       GLU  63   6.486   0.771 -13.094
  416    HB2  GLU  63           HB2      GLU  63   6.471  -1.275 -10.866
  417    HB3  GLU  63           HB3      GLU  63   7.231  -1.479 -12.437
  418    HG2  GLU  63           HG2      GLU  63   8.867   0.157 -11.964
  419    HG3  GLU  63           HG3      GLU  63   8.002   0.708 -10.528
  420    H    GLY  64           H        GLY  64   3.575   1.039 -12.315
  421    HA2  GLY  64           HA1      GLY  64   2.613  -1.248 -13.864
  422    HA3  GLY  64           HA2      GLY  64   1.925  -1.010 -12.263
  423    HA   PRO  65           HA       PRO  65  -0.201   1.512 -15.785
  424    HB2  PRO  65           HB2      PRO  65  -2.601   0.153 -15.628
  425    HB3  PRO  65           HB3      PRO  65  -1.343  -0.163 -16.827
  426    HG2  PRO  65           HG2      PRO  65  -1.941  -1.605 -14.282
  427    HG3  PRO  65           HG3      PRO  65  -1.456  -2.261 -15.857
  428    HD2  PRO  65           HD2      PRO  65   0.286  -2.030 -13.819
  429    HD3  PRO  65           HD3      PRO  65   0.784  -1.780 -15.506
  430    H    PHE  66           H        PHE  66  -1.395   0.135 -12.758
  431    HA   PHE  66           HA       PHE  66  -2.655   2.719 -12.142
  432    HB2  PHE  66           HB2      PHE  66  -3.105  -0.032 -10.973
  433    HB3  PHE  66           HB3      PHE  66  -3.779   1.435 -10.276
  434    HD1  PHE  66           HD1      PHE  66  -5.438   2.758 -11.556
  435    HD2  PHE  66           HD2      PHE  66  -4.072  -1.053 -12.873
  436    HE1  PHE  66           HE1      PHE  66  -7.377   2.586 -13.066
  437    HE2  PHE  66           HE2      PHE  66  -6.005  -1.231 -14.382
  438    HZ   PHE  66           HZ       PHE  66  -7.660   0.591 -14.482
  439    H    GLY  67           H        GLY  67   0.182   1.249 -11.805
  440    HA2  GLY  67           HA1      GLY  67   1.948   2.102 -10.453
  441    HA3  GLY  67           HA2      GLY  67   0.761   2.544  -9.234
  442    H    HIS  68           H        HIS  68   1.848   1.470  -7.574
  443    HA   HIS  68           HA       HIS  68   1.029  -1.274  -7.324
  444    HB2  HIS  68           HB2      HIS  68   3.292  -1.357  -8.521
  445    HB3  HIS  68           HB3      HIS  68   3.989  -0.724  -7.021
  446    HD1  HIS  68           HD1      HIS  68   5.180  -3.271  -7.567
  447    HD2  HIS  68           HD2      HIS  68   1.395  -3.094  -5.840
  448    HE1  HIS  68           HE1      HIS  68   4.831  -5.502  -6.448
  449    HE2  HIS  68           HE2      HIS  68   2.587  -5.322  -5.288
  450    H    VAL  69           H        VAL  69  -0.139  -0.463  -5.463
  451    HA   VAL  69           HA       VAL  69   1.712   0.042  -3.250
  452    HB   VAL  69           HB       VAL  69  -0.185   0.979  -1.998
  453   HG11  VAL  69          2HG1      VAL  69   1.336   2.424  -3.185
  454   HG12  VAL  69          1HG1      VAL  69  -0.300   3.070  -3.295
  455   HG13  VAL  69          3HG1      VAL  69   0.410   2.227  -4.671
  456   HG21  VAL  69          3HG2      VAL  69  -2.251   1.566  -3.151
  457   HG22  VAL  69          2HG2      VAL  69  -2.014  -0.182  -3.163
  458   HG23  VAL  69          1HG2      VAL  69  -1.679   0.763  -4.615
  459    H    ALA  70           H        ALA  70   1.872  -1.282  -1.675
  460    HA   ALA  70           HA       ALA  70  -0.134  -3.366  -1.239
  461    HB1  ALA  70           HB1      ALA  70   2.814  -3.860  -1.658
  462    HB2  ALA  70           HB2      ALA  70   1.657  -5.064  -1.086
  463    HB3  ALA  70           HB3      ALA  70   1.500  -4.388  -2.707
  464    H    TYR  71           H        TYR  71  -0.533  -3.531   0.893
  465    HA   TYR  71           HA       TYR  71   0.790  -1.702   2.619
  466    HB2  TYR  71           HB2      TYR  71  -1.511  -1.994   3.014
  467    HB3  TYR  71           HB3      TYR  71  -1.374  -3.756   3.024
  468    HD1  TYR  71           HD1      TYR  71  -0.810  -0.684   4.965
  469    HD2  TYR  71           HD2      TYR  71  -0.656  -4.936   4.975
  470    HE1  TYR  71           HE1      TYR  71  -0.571  -0.659   7.412
  471    HE2  TYR  71           HE2      TYR  71  -0.417  -4.920   7.425
  472    HH   TYR  71           HH       TYR  71   0.319  -3.428   9.199
  473    H    VAL  72           H        VAL  72   2.343  -2.015   4.083
  474    HA   VAL  72           HA       VAL  72   3.794  -4.533   3.927
  475    HB   VAL  72           HB       VAL  72   4.612  -2.031   5.406
  476   HG11  VAL  72          2HG1      VAL  72   5.870  -3.946   6.088
  477   HG12  VAL  72          1HG1      VAL  72   6.898  -2.966   5.039
  478   HG13  VAL  72          3HG1      VAL  72   6.141  -4.431   4.414
  479   HG21  VAL  72          3HG2      VAL  72   4.201  -1.454   3.077
  480   HG22  VAL  72          2HG2      VAL  72   5.224  -2.791   2.551
  481   HG23  VAL  72          1HG2      VAL  72   5.929  -1.432   3.426
  482    H    GLU  73           H        GLU  73   3.443  -6.064   5.365
  483    HA   GLU  73           HA       GLU  73   2.015  -5.472   7.805
  484    HB2  GLU  73           HB2      GLU  73   2.951  -8.037   6.527
  485    HB3  GLU  73           HB3      GLU  73   2.173  -7.989   8.103
  486    HG2  GLU  73           HG2      GLU  73   0.848  -6.731   5.739
  487    HG3  GLU  73           HG3      GLU  73   0.761  -8.475   5.987
  488    H    SER  74           H        SER  74   5.281  -6.199   6.820
  489    HA   SER  74           HA       SER  74   6.409  -5.362   9.248
  490    HB2  SER  74           HB2      SER  74   5.430  -7.531  10.047
  491    HB3  SER  74           HB3      SER  74   6.460  -8.373   8.891
  492    HG   SER  74           HG       SER  74   7.922  -8.315  10.391
  493    H    VAL  75           H        VAL  75   8.682  -5.320   9.167
  494    HA   VAL  75           HA       VAL  75   9.871  -6.235   6.640
  495    HB   VAL  75           HB       VAL  75  10.217  -3.850   6.953
  496   HG11  VAL  75          2HG1      VAL  75  11.466  -2.949   8.853
  497   HG12  VAL  75          1HG1      VAL  75  11.507  -4.553   9.587
  498   HG13  VAL  75          3HG1      VAL  75   9.968  -3.720   9.372
  499   HG21  VAL  75          3HG2      VAL  75  12.671  -3.750   6.879
  500   HG22  VAL  75          2HG2      VAL  75  12.042  -5.090   5.920
  501   HG23  VAL  75          1HG2      VAL  75  12.751  -5.398   7.506
  502    H    ASN  76           H        ASN  76  11.406  -7.771   6.679
  503    HA   ASN  76           HA       ASN  76  11.734  -9.263   9.097
  504    HB2  ASN  76           HB2      ASN  76  12.950  -9.564   6.345
  505    HB3  ASN  76           HB3      ASN  76  13.254 -10.685   7.669
  506   HD21  ASN  76          1HD2      ASN  76  11.973 -11.040   5.049
  507   HD22  ASN  76          2HD2      ASN  76  10.411 -11.709   5.393
  508    H    SER  77           H        SER  77  13.658  -9.626  10.234
  509    HA   SER  77           HA       SER  77  15.297  -7.374  10.585
  510    HB2  SER  77           HB2      SER  77  16.705  -9.075  11.943
  511    HB3  SER  77           HB3      SER  77  15.064  -8.718  12.475
  512    HG   SER  77           HG       SER  77  15.264 -10.805  10.669
  513    H    ASP  78           H        ASP  78  15.553 -10.059   8.423
  514    HA   ASP  78           HA       ASP  78  18.376  -9.801   7.968
  515    HB2  ASP  78           HB2      ASP  78  18.037 -11.371   6.113
  516    HB3  ASP  78           HB3      ASP  78  17.280 -11.950   7.591
  517    H    GLY  79           H        GLY  79  15.605  -8.124   6.845
  518    HA2  GLY  79           HA1      GLY  79  16.332  -5.946   5.822
  519    HA3  GLY  79           HA2      GLY  79  17.251  -6.931   4.698
  520    H    SER  80           H        SER  80  15.039  -8.935   4.560
  521    HA   SER  80           HA       SER  80  13.695  -7.737   2.340
  522    HB2  SER  80           HB2      SER  80  12.468  -9.944   2.271
  523    HB3  SER  80           HB3      SER  80  14.226 -10.077   2.208
  524    HG   SER  80           HG       SER  80  14.274 -10.821   4.253
  525    H    VAL  81           H        VAL  81  11.416  -7.416   2.094
  526    HA   VAL  81           HA       VAL  81  10.059  -6.911   4.659
  527    HB   VAL  81           HB       VAL  81   8.643  -5.291   3.160
  528   HG11  VAL  81          2HG1      VAL  81  11.441  -4.656   4.087
  529   HG12  VAL  81          1HG1      VAL  81   9.974  -4.588   5.064
  530   HG13  VAL  81          3HG1      VAL  81  10.192  -3.466   3.723
  531   HG21  VAL  81          3HG2      VAL  81  11.246  -5.425   1.654
  532   HG22  VAL  81          2HG2      VAL  81  10.004  -4.191   1.441
  533   HG23  VAL  81          1HG2      VAL  81   9.654  -5.874   1.041
  534    H    THR  82           H        THR  82   8.081  -7.652   5.020
  535    HA   THR  82           HA       THR  82   6.889  -9.398   2.990
  536    HB   THR  82           HB       THR  82   6.488  -9.274   5.989
  537    HG1  THR  82           HG1      THR  82   7.603 -11.358   4.392
  538   HG21  THR  82          3HG2      THR  82   5.117 -11.289   5.723
  539   HG22  THR  82          1HG2      THR  82   5.293 -11.189   3.971
  540   HG23  THR  82          2HG2      THR  82   4.412  -9.932   4.842
  541    H    ILE  83           H        ILE  83   5.110  -8.740   1.968
  542    HA   ILE  83           HA       ILE  83   3.530  -6.554   3.169
  543    HB   ILE  83           HB       ILE  83   3.090  -5.706   0.900
  544   HG12  ILE  83          2HG1      ILE  83   5.228  -7.650  -0.003
  545   HG13  ILE  83          3HG1      ILE  83   3.504  -7.908  -0.244
  546   HG21  ILE  83          2HG2      ILE  83   6.009  -5.901   1.629
  547   HG22  ILE  83          1HG2      ILE  83   4.857  -4.695   2.204
  548   HG23  ILE  83          3HG2      ILE  83   5.317  -4.734   0.503
  549   HD11  ILE  83          3HD1      ILE  83   4.525  -7.062  -2.256
  550   HD12  ILE  83          2HD1      ILE  83   5.147  -5.661  -1.385
  551   HD13  ILE  83          1HD1      ILE  83   3.409  -5.867  -1.598
  552    H    SER  84           H        SER  84   1.317  -6.404   2.423
  553    HA   SER  84           HA       SER  84   0.228  -8.832   1.194
  554    HB2  SER  84           HB2      SER  84  -0.914  -7.466   3.646
  555    HB3  SER  84           HB3      SER  84  -1.671  -8.799   2.775
  556    HG   SER  84           HG       SER  84   0.904  -9.364   3.420
  557    H    GLU  85           H        GLU  85  -0.515  -8.140  -0.662
  558    HA   GLU  85           HA       GLU  85  -2.087  -5.652  -0.753
  559    HB2  GLU  85           HB2      GLU  85  -1.505  -5.653  -3.217
  560    HB3  GLU  85           HB3      GLU  85  -0.168  -5.330  -2.121
  561    HG2  GLU  85           HG2      GLU  85   0.619  -7.602  -2.361
  562    HG3  GLU  85           HG3      GLU  85  -0.769  -8.003  -3.365
  563    H    MET  86           H        MET  86  -4.188  -6.117  -0.812
  564    HA   MET  86           HA       MET  86  -5.148  -8.635  -1.782
  565    HB2  MET  86           HB2      MET  86  -6.241  -7.518   0.106
  566    HB3  MET  86           HB3      MET  86  -6.671  -6.167  -0.933
  567    HG2  MET  86           HG2      MET  86  -8.151  -7.511  -2.210
  568    HG3  MET  86           HG3      MET  86  -7.581  -8.982  -1.425
  569    HE1  MET  86           HE1      MET  86  -9.052  -8.707   2.151
  570    HE2  MET  86           HE2      MET  86  -8.248  -9.753   0.980
  571    HE3  MET  86           HE3      MET  86  -7.428  -8.314   1.588
  572    H    ASN  87           H        ASN  87  -5.250  -9.072  -3.841
  573    HA   ASN  87           HA       ASN  87  -5.969  -9.053  -5.984
  574    HB2  ASN  87           HB2      ASN  87  -8.054  -8.085  -5.480
  575    HB3  ASN  87           HB3      ASN  87  -7.338  -6.522  -5.113
  576   HD21  ASN  87          1HD2      ASN  87  -6.965  -5.090  -6.743
  577   HD22  ASN  87          2HD2      ASN  87  -7.468  -5.336  -8.376
  578    H    TYR  88           H        TYR  88  -4.933  -5.770  -5.052
  579    HA   TYR  88           HA       TYR  88  -3.570  -4.266  -6.062
  580    HB2  TYR  88           HB2      TYR  88  -1.736  -5.749  -5.898
  581    HB3  TYR  88           HB3      TYR  88  -2.368  -6.806  -7.156
  582    HD1  TYR  88           HD1      TYR  88  -1.669  -3.121  -7.001
  583    HD2  TYR  88           HD2      TYR  88  -0.959  -6.829  -8.979
  584    HE1  TYR  88           HE1      TYR  88  -0.313  -1.958  -8.691
  585    HE2  TYR  88           HE2      TYR  88   0.397  -5.673 -10.669
  586    HH   TYR  88           HH       TYR  88   1.275  -2.315 -10.345
  587    H    SER  89           H        SER  89  -3.661  -6.520  -8.776
  588    HA   SER  89           HA       SER  89  -5.804  -5.200 -10.126
  589    HB2  SER  89           HB2      SER  89  -2.996  -4.870 -11.234
  590    HB3  SER  89           HB3      SER  89  -4.478  -4.479 -12.104
  591    HG   SER  89           HG       SER  89  -4.512  -3.268  -9.715
  592    H    GLY  90           H        GLY  90  -6.571  -7.376 -10.102
  593    HA2  GLY  90           HA1      GLY  90  -6.246  -8.858 -12.372
  594    HA3  GLY  90           HA2      GLY  90  -4.999  -9.468 -11.296
  595    H    GLY  91           H        GLY  91  -5.690 -10.331  -9.201
  596    HA2  GLY  91           HA1      GLY  91  -8.210 -11.795  -9.575
  597    HA3  GLY  91           HA2      GLY  91  -6.895 -12.261  -8.506
  598    HA   PRO  92           HA       PRO  92 -10.090  -8.921  -6.666
  599    HB2  PRO  92           HB2      PRO  92 -12.197 -11.024  -6.776
  600    HB3  PRO  92           HB3      PRO  92 -12.336  -9.273  -6.974
  601    HG2  PRO  92           HG2      PRO  92 -12.475 -10.875  -9.088
  602    HG3  PRO  92           HG3      PRO  92 -11.607  -9.330  -9.177
  603    HD2  PRO  92           HD2      PRO  92 -10.519 -12.105  -8.918
  604    HD3  PRO  92           HD3      PRO  92  -9.905 -10.738  -9.873
  605    H    PHE  93           H        PHE  93  -9.437  -8.919  -4.658
  606    HA   PHE  93           HA       PHE  93  -9.218  -9.394  -2.474
  607    HB2  PHE  93           HB2      PHE  93 -11.131 -11.628  -3.113
  608    HB3  PHE  93           HB3      PHE  93 -10.466 -11.352  -1.503
  609    HD1  PHE  93           HD2      PHE  93 -12.407  -9.680  -4.205
  610    HD2  PHE  93           HD1      PHE  93 -11.481  -9.857  -0.054
  611    HE1  PHE  93           HE2      PHE  93 -14.186  -8.046  -3.742
  612    HE2  PHE  93           HE1      PHE  93 -13.257  -8.221   0.416
  613    HZ   PHE  93           HZ       PHE  93 -14.611  -7.313  -1.432
  614    H    SER  94           H        SER  94  -7.783 -11.055  -4.826
  615    HA   SER  94           HA       SER  94  -6.546 -13.142  -3.330
  616    HB2  SER  94           HB2      SER  94  -5.529 -11.596  -5.734
  617    HB3  SER  94           HB3      SER  94  -4.728 -13.018  -5.046
  618    HG   SER  94           HG       SER  94  -7.059 -13.923  -5.391
  619    H    VAL  95           H        VAL  95  -6.093 -12.193  -1.315
  620    HA   VAL  95           HA       VAL  95  -4.467  -9.918  -1.041
  621    HB   VAL  95           HB       VAL  95  -5.759 -10.575   0.847
  622   HG11  VAL  95          2HG1      VAL  95  -5.957 -12.939   0.473
  623   HG12  VAL  95          1HG1      VAL  95  -5.343 -12.654   2.102
  624   HG13  VAL  95          3HG1      VAL  95  -4.246 -13.175   0.824
  625   HG21  VAL  95          3HG2      VAL  95  -4.105 -10.604   2.634
  626   HG22  VAL  95          2HG2      VAL  95  -3.628  -9.492   1.350
  627   HG23  VAL  95          1HG2      VAL  95  -2.854 -11.072   1.483
  628    H    SER  96           H        SER  96  -2.699  -9.986  -2.308
  629    HA   SER  96           HA       SER  96  -1.155 -12.366  -2.663
  630    HB2  SER  96           HB2      SER  96  -1.559 -10.791  -4.512
  631    HB3  SER  96           HB3      SER  96  -0.667  -9.542  -3.645
  632    HG   SER  96           HG       SER  96   0.796 -10.416  -4.992
  633    H    SER  97           H        SER  97   0.395 -13.023  -1.444
  634    HA   SER  97           HA       SER  97   1.754 -11.143   0.349
  635    HB2  SER  97           HB2      SER  97   1.810 -14.166   0.255
  636    HB3  SER  97           HB3      SER  97   2.665 -13.175   1.437
  637    HG   SER  97           HG       SER  97   0.889 -13.135   2.531
  638    H    ARG  98           H        ARG  98   3.569 -10.230  -0.347
  639    HA   ARG  98           HA       ARG  98   5.377 -11.817  -2.058
  640    HB2  ARG  98           HB2      ARG  98   5.181  -8.804  -2.063
  641    HB3  ARG  98           HB3      ARG  98   6.130  -9.807  -3.145
  642    HG2  ARG  98           HG2      ARG  98   3.983 -10.742  -4.021
  643    HG3  ARG  98           HG3      ARG  98   3.142  -9.523  -3.060
  644    HD2  ARG  98           HD2      ARG  98   4.669  -7.828  -4.227
  645    HD3  ARG  98           HD3      ARG  98   5.015  -9.125  -5.369
  646    HE   ARG  98           HE       ARG  98   2.328  -8.005  -4.886
  647   HH11  ARG  98          2HH1      ARG  98   4.715  -9.431  -7.002
  648   HH12  ARG  98          1HH1      ARG  98   3.726  -9.311  -8.423
  649   HH21  ARG  98          2HH2      ARG  98   1.011  -7.833  -6.727
  650   HH22  ARG  98          1HH2      ARG  98   1.596  -8.436  -8.260
  651    H    THR  99           H        THR  99   7.680 -11.177  -1.873
  652    HA   THR  99           HA       THR  99   8.343  -9.976   0.726
  653    HB   THR  99           HB       THR  99   9.793 -12.370  -0.424
  654    HG1  THR  99           HG1      THR  99   7.471 -12.559   0.540
  655   HG21  THR  99          3HG2      THR  99   9.920 -11.017   2.275
  656   HG22  THR  99          1HG2      THR  99  11.150 -10.928   1.013
  657   HG23  THR  99          2HG2      THR  99  10.813 -12.465   1.812
  658    H    ILE 100           H        ILE 100   9.357  -8.147   0.201
  659    HA   ILE 100           HA       ILE 100  10.785  -7.976  -2.340
  660    HB   ILE 100           HB       ILE 100  10.274  -5.772  -0.330
  661   HG12  ILE 100          2HG1      ILE 100   8.673  -4.930  -2.139
  662   HG13  ILE 100          3HG1      ILE 100   8.732  -6.564  -2.795
  663   HG21  ILE 100          2HG2      ILE 100  12.198  -5.367  -1.742
  664   HG22  ILE 100          1HG2      ILE 100  10.882  -4.266  -2.148
  665   HG23  ILE 100          3HG2      ILE 100  11.221  -5.654  -3.183
  666   HD11  ILE 100          3HD1      ILE 100   7.882  -5.903   0.005
  667   HD12  ILE 100          2HD1      ILE 100   7.760  -7.460  -0.812
  668   HD13  ILE 100          1HD1      ILE 100   6.778  -6.099  -1.354
  669    H    SER 101           H        SER 101  12.938  -8.180  -2.444
  670    HA   SER 101           HA       SER 101  14.590  -8.301  -0.119
  671    HB2  SER 101           HB2      SER 101  15.165  -9.454  -2.235
  672    HB3  SER 101           HB3      SER 101  15.363  -7.891  -3.027
  673    HG   SER 101           HG       SER 101  17.328  -8.960  -2.220
  674    H    ALA 102           H        ALA 102  16.077  -6.751   0.651
  675    HA   ALA 102           HA       ALA 102  15.286  -4.140   0.882
  676    HB1  ALA 102           HB1      ALA 102  18.116  -5.178   0.976
  677    HB2  ALA 102           HB2      ALA 102  17.565  -3.636   1.633
  678    HB3  ALA 102           HB3      ALA 102  16.966  -5.148   2.314
  679    H    SER 103           H        SER 103  17.194  -5.536  -1.696
  680    HA   SER 103           HA       SER 103  18.197  -3.271  -2.940
  681    HB2  SER 103           HB2      SER 103  18.868  -5.449  -3.691
  682    HB3  SER 103           HB3      SER 103  17.209  -5.890  -4.089
  683    HG   SER 103           HG       SER 103  17.330  -4.822  -5.918
  684    H    GLU 104           H        GLU 104  15.115  -4.926  -3.711
  685    HA   GLU 104           HA       GLU 104  14.238  -2.712  -5.327
  686    HB2  GLU 104           HB2      GLU 104  12.889  -5.264  -4.453
  687    HB3  GLU 104           HB3      GLU 104  12.045  -4.020  -5.360
  688    HG2  GLU 104           HG2      GLU 104  12.752  -5.658  -6.907
  689    HG3  GLU 104           HG3      GLU 104  13.781  -4.249  -7.140
  690    H    ALA 105           H        ALA 105  14.052  -3.591  -2.026
  691    HA   ALA 105           HA       ALA 105  11.691  -2.261  -1.274
  692    HB1  ALA 105           HB1      ALA 105  12.903  -3.827   0.188
  693    HB2  ALA 105           HB2      ALA 105  14.194  -2.642   0.366
  694    HB3  ALA 105           HB3      ALA 105  12.580  -2.287   0.982
  695    H    GLY 106           H        GLY 106  14.996  -1.140  -1.746
  696    HA2  GLY 106           HA1      GLY 106  14.598   1.515  -0.835
  697    HA3  GLY 106           HA2      GLY 106  15.859   0.982  -1.936
  698    H    ASN 107           H        ASN 107  13.628  -0.083  -3.729
  699    HA   ASN 107           HA       ASN 107  13.367   2.271  -5.357
  700    HB2  ASN 107           HB2      ASN 107  13.674   0.174  -6.487
  701    HB3  ASN 107           HB3      ASN 107  12.317  -0.554  -5.635
  702   HD21  ASN 107          1HD2      ASN 107  10.225  -0.180  -6.362
  703   HD22  ASN 107          2HD2      ASN 107   9.896   0.592  -7.868
  704    H    TYR 108           H        TYR 108  11.300   0.402  -3.249
  705    HA   TYR 108           HA       TYR 108   8.874   1.648  -4.158
  706    HB2  TYR 108           HB2      TYR 108   9.439  -0.180  -1.827
  707    HB3  TYR 108           HB3      TYR 108   7.835   0.366  -2.299
  708    HD1  TYR 108           HD1      TYR 108   7.379  -0.030  -4.932
  709    HD2  TYR 108           HD2      TYR 108  10.015  -2.303  -2.500
  710    HE1  TYR 108           HE1      TYR 108   7.142  -1.936  -6.470
  711    HE2  TYR 108           HE2      TYR 108   9.790  -4.216  -4.026
  712    HH   TYR 108           HH       TYR 108   8.606  -3.995  -7.087
  713    H    ASN 109           H        ASN 109   7.842   3.340  -3.330
  714    HA   ASN 109           HA       ASN 109   9.044   4.793  -1.109
  715    HB2  ASN 109           HB2      ASN 109   6.605   5.494  -2.776
  716    HB3  ASN 109           HB3      ASN 109   7.394   6.555  -1.613
  717   HD21  ASN 109          1HD2      ASN 109   7.444   5.258  -4.788
  718   HD22  ASN 109          2HD2      ASN 109   8.789   6.179  -5.385
  719    H    TYR 110           H        TYR 110   7.504   5.642   0.589
  720    HA   TYR 110           HA       TYR 110   5.129   4.084   1.049
  721    HB2  TYR 110           HB2      TYR 110   5.741   3.016   3.055
  722    HB3  TYR 110           HB3      TYR 110   7.101   2.731   1.984
  723    HD1  TYR 110           HD1      TYR 110   8.697   5.180   2.253
  724    HD2  TYR 110           HD2      TYR 110   6.541   2.987   5.185
  725    HE1  TYR 110           HE1      TYR 110  10.217   6.013   3.997
  726    HE2  TYR 110           HE2      TYR 110   8.049   3.817   6.930
  727    HH   TYR 110           HH       TYR 110  10.341   4.703   7.119
  728    H    ILE 111           H        ILE 111   3.663   5.180   2.338
  729    HA   ILE 111           HA       ILE 111   4.565   7.904   2.956
  730    HB   ILE 111           HB       ILE 111   2.209   8.612   2.553
  731   HG12  ILE 111          2HG1      ILE 111   1.908   5.831   1.399
  732   HG13  ILE 111          3HG1      ILE 111   1.187   6.359   2.910
  733   HG21  ILE 111          2HG2      ILE 111   3.575   7.236   0.234
  734   HG22  ILE 111          1HG2      ILE 111   3.952   8.847   0.844
  735   HG23  ILE 111          3HG2      ILE 111   2.379   8.527   0.114
  736   HD11  ILE 111          3HD1      ILE 111   0.566   7.372   0.137
  737   HD12  ILE 111          2HD1      ILE 111  -0.079   8.082   1.623
  738   HD13  ILE 111          1HD1      ILE 111  -0.483   6.420   1.192
  739    H    HIS 112           H        HIS 112   4.816   8.181   5.043
  740    HA   HIS 112           HA       HIS 112   2.640   7.261   6.796
  741    HB2  HIS 112           HB2      HIS 112   4.270   6.857   8.593
  742    HB3  HIS 112           HB3      HIS 112   4.584   5.833   7.199
  743    HD1  HIS 112           HD1      HIS 112   6.153   8.236   9.447
  744    HD2  HIS 112           HD2      HIS 112   6.900   6.712   5.634
  745    HE1  HIS 112           HE1      HIS 112   8.560   8.761   8.959
  746    HE2  HIS 112           HE2      HIS 112   9.037   7.617   6.770
  747    H    ILE 113           H        ILE 113   2.107   8.652   8.500
  748    HA   ILE 113           HA       ILE 113   2.217  11.369   7.867
  749    HB   ILE 113           HB       ILE 113   1.317  11.543  10.301
  750   HG12  ILE 113          2HG1      ILE 113   1.244   8.558   9.839
  751   HG13  ILE 113          3HG1      ILE 113   2.101   9.402  11.124
  752   HG21  ILE 113          2HG2      ILE 113  -0.904  10.854   9.546
  753   HG22  ILE 113          1HG2      ILE 113  -0.174  10.009   8.183
  754   HG23  ILE 113          3HG2      ILE 113  -0.049  11.764   8.300
  755   HD11  ILE 113          3HD1      ILE 113   0.092   8.367  11.973
  756   HD12  ILE 113          2HD1      ILE 113  -0.885   9.235  10.788
  757   HD13  ILE 113          1HD1      ILE 113  -0.046  10.124  12.059
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1 -27.497   4.808   9.783
    2    H2   GLY   1           H2       GLY   1 -27.492   4.233  11.382
    3    H3   GLY   1           H3       GLY   1 -28.053   3.242  10.127
    4    HA2  GLY   1           HA2      GLY   1 -25.875   3.098   9.166
    5    HA3  GLY   1           HA1      GLY   1 -25.266   4.222  10.374
    6    H    SER   2           H        SER   2 -24.079   1.750  10.060
    7    HA   SER   2           HA       SER   2 -25.104   0.216  12.347
    8    HB2  SER   2           HB2      SER   2 -23.299  -0.659  10.081
    9    HB3  SER   2           HB3      SER   2 -23.816  -1.685  11.424
   10    HG   SER   2           HG       SER   2 -25.129  -1.066   9.146
   11    H    SER   3           H        SER   3 -22.069   1.377  10.871
   12    HA   SER   3           HA       SER   3 -20.957   1.935  13.454
   13    HB2  SER   3           HB2      SER   3 -20.576  -0.477  13.394
   14    HB3  SER   3           HB3      SER   3 -19.790  -0.334  11.823
   15    HG   SER   3           HG       SER   3 -18.865   0.381  14.371
   16    H    ILE   4           H        ILE   4 -19.959   3.794  13.143
   17    HA   ILE   4           HA       ILE   4 -18.574   4.240  10.579
   18    HB   ILE   4           HB       ILE   4 -19.507   6.317  12.568
   19   HG12  ILE   4          2HG1      ILE   4 -20.645   5.572   9.864
   20   HG13  ILE   4          3HG1      ILE   4 -21.379   5.187  11.419
   21   HG21  ILE   4          2HG2      ILE   4 -17.553   7.059  11.351
   22   HG22  ILE   4          1HG2      ILE   4 -18.978   7.918  10.763
   23   HG23  ILE   4          3HG2      ILE   4 -18.294   6.595   9.818
   24   HD11  ILE   4          3HD1      ILE   4 -22.451   7.099  10.369
   25   HD12  ILE   4          2HD1      ILE   4 -20.908   7.956  10.332
   26   HD13  ILE   4          1HD1      ILE   4 -21.662   7.560  11.876
   27    H    SER   5           H        SER   5 -16.601   3.423  10.969
   28    HA   SER   5           HA       SER   5 -14.850   5.013  12.630
   29    HB2  SER   5           HB2      SER   5 -14.983   2.004  13.006
   30    HB3  SER   5           HB3      SER   5 -13.860   3.109  13.802
   31    HG   SER   5           HG       SER   5 -16.228   4.080  14.286
   32    H    HIS   6           H        HIS   6 -14.795   1.866  10.957
   33    HA   HIS   6           HA       HIS   6 -13.788   3.043   8.568
   34    HB2  HIS   6           HB2      HIS   6 -11.674   1.817   8.392
   35    HB3  HIS   6           HB3      HIS   6 -11.641   2.917   9.759
   36    HD1  HIS   6           HD1      HIS   6 -11.201  -0.621   8.827
   37    HD2  HIS   6           HD2      HIS   6 -11.793   1.589  12.312
   38    HE1  HIS   6           HE1      HIS   6 -10.486  -2.114  10.719
   39    HE2  HIS   6           HE2      HIS   6 -10.718  -0.711  12.802
   40    H    SER   7           H        SER   7 -16.014   1.591   9.420
   41    HA   SER   7           HA       SER   7 -15.808  -1.173   8.677
   42    HB2  SER   7           HB2      SER   7 -18.306   0.487   9.078
   43    HB3  SER   7           HB3      SER   7 -18.145  -1.266   9.226
   44    HG   SER   7           HG       SER   7 -18.066   0.226  11.211
   45    H    GLY   8           H        GLY   8 -14.893   0.419   6.606
   46    HA2  GLY   8           HA1      GLY   8 -16.010  -0.559   4.332
   47    HA3  GLY   8           HA2      GLY   8 -16.946   0.897   4.655
   48    H    ASN   9           H        ASN   9 -16.057   1.673   2.631
   49    HA   ASN   9           HA       ASN   9 -13.799   3.361   3.009
   50    HB2  ASN   9           HB2      ASN   9 -12.778   1.041   2.557
   51    HB3  ASN   9           HB3      ASN   9 -13.433   1.183   0.934
   52   HD21  ASN   9          1HD2      ASN   9 -10.734   0.846   1.572
   53   HD22  ASN   9          2HD2      ASN   9  -9.869   2.248   1.047
   54    H    LEU  10           H        LEU  10 -13.475   4.712   1.072
   55    HA   LEU  10           HA       LEU  10 -15.882   5.199  -0.407
   56    HB2  LEU  10           HB2      LEU  10 -13.076   6.228  -0.826
   57    HB3  LEU  10           HB3      LEU  10 -14.522   6.889  -1.571
   58    HG   LEU  10           HG       LEU  10 -13.880   6.919   1.384
   59   HD11  LEU  10          2HD1      LEU  10 -12.509   8.460   0.071
   60   HD12  LEU  10          1HD1      LEU  10 -13.655   9.320   1.096
   61   HD13  LEU  10          3HD1      LEU  10 -13.968   9.160  -0.632
   62   HD21  LEU  10          3HD2      LEU  10 -16.265   6.723   1.041
   63   HD22  LEU  10          2HD2      LEU  10 -16.234   8.037  -0.137
   64   HD23  LEU  10          1HD2      LEU  10 -15.874   8.364   1.557
   65    H    TYR  11           H        TYR  11 -13.239   3.143  -0.695
   66    HA   TYR  11           HA       TYR  11 -13.314   2.850  -3.563
   67    HB2  TYR  11           HB2      TYR  11 -11.527   2.131  -1.419
   68    HB3  TYR  11           HB3      TYR  11 -11.848   0.729  -2.432
   69    HD1  TYR  11           HD2      TYR  11 -11.269   0.777  -4.827
   70    HD2  TYR  11           HD1      TYR  11 -10.252   3.985  -2.224
   71    HE1  TYR  11           HE2      TYR  11  -9.652   1.599  -6.484
   72    HE2  TYR  11           HE1      TYR  11  -8.634   4.819  -3.876
   73    HH   TYR  11           HH       TYR  11  -8.549   3.831  -7.046
   74    H    THR  12           H        THR  12 -13.059   0.199  -3.991
   75    HA   THR  12           HA       THR  12 -15.821  -0.562  -3.914
   76    HB   THR  12           HB       THR  12 -13.491  -2.155  -4.998
   77    HG1  THR  12           HG1      THR  12 -14.427   0.225  -5.807
   78   HG21  THR  12          3HG2      THR  12 -15.566  -3.421  -4.795
   79   HG22  THR  12          1HG2      THR  12 -15.176  -3.119  -6.488
   80   HG23  THR  12          2HG2      THR  12 -16.430  -2.169  -5.688
   81    H    ALA  13           H        ALA  13 -13.407  -3.047  -3.610
   82    HA   ALA  13           HA       ALA  13 -13.640  -3.671  -0.900
   83    HB1  ALA  13           HB1      ALA  13 -15.990  -4.127  -1.419
   84    HB2  ALA  13           HB2      ALA  13 -15.496  -5.250  -2.688
   85    HB3  ALA  13           HB3      ALA  13 -15.138  -5.612  -0.999
   86    H    GLY  14           H        GLY  14 -11.842  -4.778  -0.555
   87    HA2  GLY  14           HA1      GLY  14 -10.190  -6.357  -0.797
   88    HA3  GLY  14           HA2      GLY  14 -11.155  -7.095  -2.066
   89    H    GLN  15           H        GLN  15 -10.287  -3.744  -2.286
   90    HA   GLN  15           HA       GLN  15  -8.593  -4.377  -4.589
   91    HB2  GLN  15           HB2      GLN  15  -9.641  -1.696  -3.652
   92    HB3  GLN  15           HB3      GLN  15  -8.805  -2.007  -5.165
   93    HG2  GLN  15           HG2      GLN  15 -11.536  -2.970  -4.353
   94    HG3  GLN  15           HG3      GLN  15 -11.134  -1.812  -5.619
   95   HE21  GLN  15          1HE2      GLN  15 -10.217  -2.578  -7.556
   96   HE22  GLN  15          2HE2      GLN  15 -10.346  -4.234  -8.025
   97    H    CYS  16           H        CYS  16  -6.584  -2.967  -4.860
   98    HA   CYS  16           HA       CYS  16  -4.852  -3.465  -2.707
   99    HB2  CYS  16           HB2      CYS  16  -3.203  -2.069  -3.943
  100    HB3  CYS  16           HB3      CYS  16  -3.952  -3.317  -4.928
  101    HG   CYS  16           HG       CYS  16  -5.839  -1.357  -5.994
  102    H    THR  17           H        THR  17  -5.975  -0.324  -3.935
  103    HA   THR  17           HA       THR  17  -4.980   1.080  -1.651
  104    HB   THR  17           HB       THR  17  -6.324   2.987  -2.784
  105    HG1  THR  17           HG1      THR  17  -6.900   2.520  -4.941
  106   HG21  THR  17          3HG2      THR  17  -3.891   2.722  -2.953
  107   HG22  THR  17          1HG2      THR  17  -4.584   3.277  -4.477
  108   HG23  THR  17          2HG2      THR  17  -4.110   1.588  -4.286
  109    H    TRP  18           H        TRP  18  -7.521  -0.912  -1.933
  110    HA   TRP  18           HA       TRP  18  -9.334   0.563  -0.175
  111    HB2  TRP  18           HB2      TRP  18 -10.278  -0.755  -2.046
  112    HB3  TRP  18           HB3      TRP  18  -9.550  -2.211  -1.382
  113    HD1  TRP  18           HD1      TRP  18 -12.515   0.129  -0.945
  114    HE1  TRP  18           HE1      TRP  18 -14.184  -0.949   0.689
  115    HE3  TRP  18           HE3      TRP  18  -9.665  -3.794   0.708
  116    HZ2  TRP  18           HZ2      TRP  18 -14.288  -3.139   2.453
  117    HZ3  TRP  18           HZ3      TRP  18 -10.631  -5.324   2.373
  118    HH2  TRP  18           HH2      TRP  18 -12.892  -5.005   3.227
  119    H    TYR  19           H        TYR  19  -7.521  -2.484  -0.305
  120    HA   TYR  19           HA       TYR  19  -8.018  -3.319   2.335
  121    HB2  TYR  19           HB2      TYR  19  -7.293  -4.856   0.602
  122    HB3  TYR  19           HB3      TYR  19  -5.776  -3.989   0.422
  123    HD1  TYR  19           HD1      TYR  19  -7.743  -5.888   2.974
  124    HD2  TYR  19           HD2      TYR  19  -3.904  -4.740   1.541
  125    HE1  TYR  19           HE1      TYR  19  -6.685  -7.417   4.587
  126    HE2  TYR  19           HE2      TYR  19  -2.839  -6.265   3.146
  127    HH   TYR  19           HH       TYR  19  -3.375  -7.344   5.298
  128    H    VAL  20           H        VAL  20  -5.256  -1.609   0.900
  129    HA   VAL  20           HA       VAL  20  -3.652  -1.332   3.144
  130    HB   VAL  20           HB       VAL  20  -4.100   0.720   0.961
  131   HG11  VAL  20          2HG1      VAL  20  -1.792   0.422   2.879
  132   HG12  VAL  20          1HG1      VAL  20  -3.011   1.695   2.919
  133   HG13  VAL  20          3HG1      VAL  20  -1.896   1.584   1.556
  134   HG21  VAL  20          3HG2      VAL  20  -3.404  -1.424   0.057
  135   HG22  VAL  20          2HG2      VAL  20  -2.057  -1.488   1.190
  136   HG23  VAL  20          1HG2      VAL  20  -2.091  -0.252  -0.066
  137    H    TYR  21           H        TYR  21  -6.449   0.569   2.150
  138    HA   TYR  21           HA       TYR  21  -6.106   2.645   4.042
  139    HB2  TYR  21           HB2      TYR  21  -7.423   2.841   1.928
  140    HB3  TYR  21           HB3      TYR  21  -8.654   1.811   2.648
  141    HD1  TYR  21           HD1      TYR  21  -6.847   5.017   3.185
  142    HD2  TYR  21           HD2      TYR  21 -10.376   2.745   3.896
  143    HE1  TYR  21           HE1      TYR  21  -7.906   6.985   4.188
  144    HE2  TYR  21           HE2      TYR  21 -11.449   4.706   4.904
  145    HH   TYR  21           HH       TYR  21 -10.066   7.875   4.704
  146    H    ASP  22           H        ASP  22  -8.088  -0.308   4.023
  147    HA   ASP  22           HA       ASP  22  -9.318   0.256   6.533
  148    HB2  ASP  22           HB2      ASP  22 -10.371  -1.284   4.964
  149    HB3  ASP  22           HB3      ASP  22  -8.999  -2.382   5.082
  150    H    LYS  23           H        LYS  23  -6.404  -1.460   5.568
  151    HA   LYS  23           HA       LYS  23  -5.845  -2.685   8.044
  152    HB2  LYS  23           HB2      LYS  23  -4.076  -1.879   5.748
  153    HB3  LYS  23           HB3      LYS  23  -3.456  -2.704   7.170
  154    HG2  LYS  23           HG2      LYS  23  -5.651  -3.782   5.421
  155    HG3  LYS  23           HG3      LYS  23  -3.945  -4.193   5.242
  156    HD2  LYS  23           HD2      LYS  23  -5.544  -4.624   7.765
  157    HD3  LYS  23           HD3      LYS  23  -5.262  -5.863   6.541
  158    HE2  LYS  23           HE2      LYS  23  -2.829  -5.588   6.884
  159    HE3  LYS  23           HE3      LYS  23  -3.167  -4.431   8.167
  160    HZ1  LYS  23           HZ1      LYS  23  -4.101  -7.250   8.186
  161    HZ2  LYS  23           HZ2      LYS  23  -4.199  -6.133   9.459
  162    HZ3  LYS  23           HZ3      LYS  23  -2.685  -6.712   8.949
  163    H    VAL  24           H        VAL  24  -5.124   0.543   6.826
  164    HA   VAL  24           HA       VAL  24  -3.581   1.171   9.207
  165    HB   VAL  24           HB       VAL  24  -3.327   3.416   8.280
  166   HG11  VAL  24          2HG1      VAL  24  -2.846   1.242   6.248
  167   HG12  VAL  24          1HG1      VAL  24  -1.768   1.700   7.565
  168   HG13  VAL  24          3HG1      VAL  24  -2.080   2.831   6.248
  169   HG21  VAL  24          3HG2      VAL  24  -5.512   3.686   7.251
  170   HG22  VAL  24          2HG2      VAL  24  -5.115   2.455   6.050
  171   HG23  VAL  24          1HG2      VAL  24  -4.234   3.983   6.074
  172    H    GLY  25           H        GLY  25  -6.727   0.734   8.711
  173    HA2  GLY  25           HA1      GLY  25  -8.572   1.245   9.973
  174    HA3  GLY  25           HA2      GLY  25  -7.486   2.024  11.110
  175    H    GLY  26           H        GLY  26  -7.618   3.036   7.781
  176    HA2  GLY  26           HA1      GLY  26  -8.470   4.943   6.802
  177    HA3  GLY  26           HA2      GLY  26  -9.522   5.134   8.197
  178    H    GLU  27           H        GLU  27  -6.145   4.830   8.806
  179    HA   GLU  27           HA       GLU  27  -5.932   7.405   9.967
  180    HB2  GLU  27           HB2      GLU  27  -4.525   5.508  10.663
  181    HB3  GLU  27           HB3      GLU  27  -3.752   5.498   9.085
  182    HG2  GLU  27           HG2      GLU  27  -2.275   6.558  10.604
  183    HG3  GLU  27           HG3      GLU  27  -2.937   7.811   9.556
  184    H    ILE  28           H        ILE  28  -4.755   6.028   6.937
  185    HA   ILE  28           HA       ILE  28  -4.628   8.732   5.815
  186    HB   ILE  28           HB       ILE  28  -2.449   8.641   5.269
  187   HG12  ILE  28          2HG1      ILE  28  -3.130   6.890   3.500
  188   HG13  ILE  28          3HG1      ILE  28  -1.428   6.997   3.939
  189   HG21  ILE  28          2HG2      ILE  28  -2.259   7.839   7.547
  190   HG22  ILE  28          1HG2      ILE  28  -0.994   7.133   6.538
  191   HG23  ILE  28          3HG2      ILE  28  -2.401   6.170   6.991
  192   HD11  ILE  28          3HD1      ILE  28  -3.428   4.913   4.786
  193   HD12  ILE  28          2HD1      ILE  28  -1.811   5.057   5.487
  194   HD13  ILE  28          1HD1      ILE  28  -1.998   4.699   3.769
  195    H    GLY  29           H        GLY  29  -5.372   8.864   3.664
  196    HA2  GLY  29           HA1      GLY  29  -5.055   7.283   1.610
  197    HA3  GLY  29           HA2      GLY  29  -6.208   6.303   2.497
  198    H    SER  30           H        SER  30  -7.257   6.555   0.390
  199    HA   SER  30           HA       SER  30  -9.060   7.197  -0.787
  200    HB2  SER  30           HB2      SER  30  -9.516   9.281   1.355
  201    HB3  SER  30           HB3      SER  30 -10.677   8.779   0.127
  202    HG   SER  30           HG       SER  30 -10.198   7.691   2.512
  203    H    THR  31           H        THR  31  -7.276  10.001   0.474
  204    HA   THR  31           HA       THR  31  -7.853  11.591  -1.853
  205    HB   THR  31           HB       THR  31  -6.171  13.163  -0.716
  206    HG1  THR  31           HG1      THR  31  -6.124  12.453   1.668
  207   HG21  THR  31          3HG2      THR  31  -7.797  13.813   1.016
  208   HG22  THR  31          1HG2      THR  31  -8.639  12.281   0.788
  209   HG23  THR  31          2HG2      THR  31  -8.588  13.462  -0.521
  210    H    TRP  32           H        TRP  32  -5.560   9.199  -1.175
  211    HA   TRP  32           HA       TRP  32  -3.301  10.389  -2.468
  212    HB2  TRP  32           HB2      TRP  32  -2.263   8.177  -2.252
  213    HB3  TRP  32           HB3      TRP  32  -2.973   8.725  -0.738
  214    HD1  TRP  32           HD1      TRP  32  -4.963   7.076  -3.567
  215    HE1  TRP  32           HE1      TRP  32  -5.951   4.904  -2.721
  216    HE3  TRP  32           HE3      TRP  32  -2.708   6.980   0.982
  217    HZ2  TRP  32           HZ2      TRP  32  -5.805   3.294  -0.361
  218    HZ3  TRP  32           HZ3      TRP  32  -3.178   5.080   2.491
  219    HH2  TRP  32           HH2      TRP  32  -4.692   3.278   1.830
  220    H    GLY  33           H        GLY  33  -6.120   9.206  -3.757
  221    HA2  GLY  33           HA1      GLY  33  -6.670   8.885  -5.995
  222    HA3  GLY  33           HA2      GLY  33  -4.966   9.067  -6.382
  223    H    ASN  34           H        ASN  34  -4.352   7.358  -7.496
  224    HA   ASN  34           HA       ASN  34  -5.063   4.707  -6.445
  225    HB2  ASN  34           HB2      ASN  34  -3.932   5.384  -9.169
  226    HB3  ASN  34           HB3      ASN  34  -4.485   3.811  -8.609
  227   HD21  ASN  34          1HD2      ASN  34  -5.302   5.641 -10.826
  228   HD22  ASN  34          2HD2      ASN  34  -7.025   5.771 -10.663
  229    H    ALA  35           H        ALA  35  -3.122   3.136  -7.311
  230    HA   ALA  35           HA       ALA  35  -1.093   3.625  -5.421
  231    HB1  ALA  35           HB1      ALA  35  -0.099   1.561  -6.261
  232    HB2  ALA  35           HB2      ALA  35  -1.839   1.394  -6.022
  233    HB3  ALA  35           HB3      ALA  35  -1.188   1.601  -7.650
  234    H    ASN  36           H        ASN  36  -1.323   4.443  -8.777
  235    HA   ASN  36           HA       ASN  36   1.541   4.776  -9.098
  236    HB2  ASN  36           HB2      ASN  36   0.051   3.952 -10.939
  237    HB3  ASN  36           HB3      ASN  36  -0.671   5.555 -11.006
  238   HD21  ASN  36          1HD2      ASN  36  -0.017   5.784 -13.148
  239   HD22  ASN  36          2HD2      ASN  36   1.629   6.099 -13.577
  240    H    ASN  37           H        ASN  37  -1.111   6.629  -8.057
  241    HA   ASN  37           HA       ASN  37   0.331   9.152  -8.550
  242    HB2  ASN  37           HB2      ASN  37  -2.030   8.892  -9.439
  243    HB3  ASN  37           HB3      ASN  37  -2.574   8.820  -7.768
  244   HD21  ASN  37          1HD2      ASN  37  -3.767  10.672  -7.832
  245   HD22  ASN  37          2HD2      ASN  37  -3.072  12.250  -7.990
  246    H    TRP  38           H        TRP  38   0.318   6.932  -6.343
  247    HA   TRP  38           HA       TRP  38  -0.797   7.822  -3.996
  248    HB2  TRP  38           HB2      TRP  38   1.064   5.783  -4.756
  249    HB3  TRP  38           HB3      TRP  38   1.607   6.563  -3.262
  250    HD1  TRP  38           HD1      TRP  38  -1.981   5.597  -4.404
  251    HE1  TRP  38           HE1      TRP  38  -3.021   4.253  -2.508
  252    HE3  TRP  38           HE3      TRP  38   2.027   5.451  -1.261
  253    HZ2  TRP  38           HZ2      TRP  38  -2.237   3.258   0.058
  254    HZ3  TRP  38           HZ3      TRP  38   1.808   4.289   0.883
  255    HH2  TRP  38           HH2      TRP  38  -0.269   3.207   1.521
  256    H    ALA  39           H        ALA  39   2.723   7.955  -4.522
  257    HA   ALA  39           HA       ALA  39   3.269   9.542  -2.331
  258    HB1  ALA  39           HB1      ALA  39   4.982   8.331  -3.598
  259    HB2  ALA  39           HB2      ALA  39   4.816   9.485  -4.920
  260    HB3  ALA  39           HB3      ALA  39   5.421  10.021  -3.352
  261    H    ALA  40           H        ALA  40   2.405  10.539  -5.605
  262    HA   ALA  40           HA       ALA  40   2.903  13.295  -5.306
  263    HB1  ALA  40           HB1      ALA  40   2.576  12.244  -7.480
  264    HB2  ALA  40           HB2      ALA  40   0.890  11.920  -7.080
  265    HB3  ALA  40           HB3      ALA  40   1.452  13.584  -7.251
  266    H    ALA  41           H        ALA  41  -0.194  11.517  -5.062
  267    HA   ALA  41           HA       ALA  41  -1.653  13.802  -4.191
  268    HB1  ALA  41           HB1      ALA  41  -3.487  12.276  -3.836
  269    HB2  ALA  41           HB2      ALA  41  -2.670  11.864  -5.342
  270    HB3  ALA  41           HB3      ALA  41  -2.398  10.890  -3.895
  271    H    ALA  42           H        ALA  42  -0.095  11.119  -2.533
  272    HA   ALA  42           HA       ALA  42  -0.943  11.526   0.085
  273    HB1  ALA  42           HB1      ALA  42   1.223  10.515   0.728
  274    HB2  ALA  42           HB2      ALA  42   0.394   9.622  -0.548
  275    HB3  ALA  42           HB3      ALA  42   1.761  10.664  -0.943
  276    H    GLN  43           H        GLN  43   1.827  13.003  -1.637
  277    HA   GLN  43           HA       GLN  43   2.708  14.652   0.473
  278    HB2  GLN  43           HB2      GLN  43   2.998  14.940  -2.519
  279    HB3  GLN  43           HB3      GLN  43   3.788  16.003  -1.364
  280    HG2  GLN  43           HG2      GLN  43   5.052  14.165  -0.464
  281    HG3  GLN  43           HG3      GLN  43   4.177  13.020  -1.483
  282   HE21  GLN  43          1HE2      GLN  43   4.611  12.945  -3.669
  283   HE22  GLN  43          2HE2      GLN  43   6.032  13.651  -4.367
  284    H    GLY  44           H        GLY  44   0.262  15.094  -2.005
  285    HA2  GLY  44           HA1      GLY  44  -0.256  17.839  -1.516
  286    HA3  GLY  44           HA2      GLY  44  -1.371  16.695  -2.255
  287    H    ALA  45           H        ALA  45  -1.452  14.865  -0.074
  288    HA   ALA  45           HA       ALA  45  -3.297  16.205   1.678
  289    HB1  ALA  45           HB1      ALA  45  -2.222  13.387   1.796
  290    HB2  ALA  45           HB2      ALA  45  -3.604  14.012   2.696
  291    HB3  ALA  45           HB3      ALA  45  -3.677  13.896   0.938
  292    H    GLY  46           H        GLY  46   0.035  15.848   1.615
  293    HA2  GLY  46           HA1      GLY  46   1.389  17.087   3.108
  294    HA3  GLY  46           HA2      GLY  46   0.159  16.896   4.345
  295    H    PHE  47           H        PHE  47   0.926  14.016   2.645
  296    HA   PHE  47           HA       PHE  47   2.024  12.855   5.037
  297    HB2  PHE  47           HB2      PHE  47   1.897  11.671   2.257
  298    HB3  PHE  47           HB3      PHE  47   2.241  10.792   3.732
  299    HD1  PHE  47           HD2      PHE  47  -0.224  12.924   4.776
  300    HD2  PHE  47           HD1      PHE  47   0.328   9.604   2.179
  301    HE1  PHE  47           HE2      PHE  47  -2.621  12.381   4.950
  302    HE2  PHE  47           HE1      PHE  47  -2.055   9.043   2.347
  303    HZ   PHE  47           HZ       PHE  47  -3.534  10.447   3.731
  304    H    THR  48           H        THR  48   4.106  11.983   5.277
  305    HA   THR  48           HA       THR  48   6.177  13.297   3.665
  306    HB   THR  48           HB       THR  48   6.624  11.624   6.140
  307    HG1  THR  48           HG1      THR  48   5.574  14.188   5.879
  308   HG21  THR  48          3HG2      THR  48   8.609  12.106   4.809
  309   HG22  THR  48          1HG2      THR  48   8.661  13.003   6.327
  310   HG23  THR  48          2HG2      THR  48   8.225  13.828   4.830
  311    H    VAL  49           H        VAL  49   6.767  12.123   1.901
  312    HA   VAL  49           HA       VAL  49   6.684   9.209   2.166
  313    HB   VAL  49           HB       VAL  49   6.042   8.987   0.034
  314   HG11  VAL  49          2HG1      VAL  49   5.442  11.915   0.372
  315   HG12  VAL  49          1HG1      VAL  49   4.435  10.556   0.871
  316   HG13  VAL  49          3HG1      VAL  49   4.718  10.860  -0.842
  317   HG21  VAL  49          3HG2      VAL  49   7.816  11.296  -0.745
  318   HG22  VAL  49          2HG2      VAL  49   6.810  10.386  -1.876
  319   HG23  VAL  49          1HG2      VAL  49   8.109   9.574  -1.004
  320    H    ASN  50           H        ASN  50   8.444   8.087   2.282
  321    HA   ASN  50           HA       ASN  50  10.936   9.121   1.109
  322    HB2  ASN  50           HB2      ASN  50  10.852   7.167   3.418
  323    HB3  ASN  50           HB3      ASN  50  12.216   8.118   2.855
  324   HD21  ASN  50          1HD2      ASN  50  10.921   7.774   5.498
  325   HD22  ASN  50          2HD2      ASN  50  10.571   9.378   6.046
  326    H    HIS  51           H        HIS  51  11.985   6.353   1.879
  327    HA   HIS  51           HA       HIS  51  10.094   4.524   0.805
  328    HB2  HIS  51           HB2      HIS  51  11.771   3.625  -0.964
  329    HB3  HIS  51           HB3      HIS  51  10.747   4.992  -1.359
  330    HD1  HIS  51           HD1      HIS  51  11.990   6.526  -2.768
  331    HD2  HIS  51           HD2      HIS  51  14.420   4.883   0.172
  332    HE1  HIS  51           HE1      HIS  51  14.259   7.546  -3.127
  333    HE2  HIS  51           HE2      HIS  51  15.756   6.363  -1.482
  334    H    THR  52           H        THR  52  10.284   3.559   2.730
  335    HA   THR  52           HA       THR  52  12.374   1.589   2.936
  336    HB   THR  52           HB       THR  52  11.972   3.503   5.258
  337    HG1  THR  52           HG1      THR  52  13.567   3.700   3.073
  338   HG21  THR  52          3HG2      THR  52  12.571   1.228   5.937
  339   HG22  THR  52          1HG2      THR  52  13.914   2.337   6.220
  340   HG23  THR  52          2HG2      THR  52  13.947   1.249   4.833
  341    HA   PRO  53           HA       PRO  53   8.173   0.019   3.946
  342    HB2  PRO  53           HB2      PRO  53   9.068  -2.618   3.789
  343    HB3  PRO  53           HB3      PRO  53   8.335  -1.698   2.471
  344    HG2  PRO  53           HG2      PRO  53  11.219  -2.191   3.071
  345    HG3  PRO  53           HG3      PRO  53  10.390  -2.148   1.503
  346    HD2  PRO  53           HD2      PRO  53  11.878  -0.092   2.310
  347    HD3  PRO  53           HD3      PRO  53  10.343   0.175   1.451
  348    H    SER  54           H        SER  54   7.331  -0.677   5.839
  349    HA   SER  54           HA       SER  54   8.912  -1.916   7.897
  350    HB2  SER  54           HB2      SER  54   9.583   0.465   8.125
  351    HB3  SER  54           HB3      SER  54   7.886   0.911   8.289
  352    HG   SER  54           HG       SER  54   9.543  -0.500  10.083
  353    H    LYS  55           H        LYS  55   7.552  -2.394   9.810
  354    HA   LYS  55           HA       LYS  55   5.079  -3.470   8.998
  355    HB2  LYS  55           HB2      LYS  55   6.317  -4.460  10.835
  356    HB3  LYS  55           HB3      LYS  55   6.201  -2.977  11.770
  357    HG2  LYS  55           HG2      LYS  55   3.761  -3.270  11.900
  358    HG3  LYS  55           HG3      LYS  55   3.911  -4.783  11.008
  359    HD2  LYS  55           HD2      LYS  55   5.255  -4.224  13.649
  360    HD3  LYS  55           HD3      LYS  55   3.721  -5.074  13.476
  361    HE2  LYS  55           HE2      LYS  55   6.326  -5.948  12.235
  362    HE3  LYS  55           HE3      LYS  55   5.676  -6.582  13.744
  363    HZ1  LYS  55           HZ1      LYS  55   3.694  -7.308  12.464
  364    HZ2  LYS  55           HZ2      LYS  55   5.125  -8.072  11.983
  365    HZ3  LYS  55           HZ3      LYS  55   4.474  -6.831  11.037
  366    H    GLY  56           H        GLY  56   3.270  -2.390   8.563
  367    HA2  GLY  56           HA1      GLY  56   1.369  -1.197   9.414
  368    HA3  GLY  56           HA2      GLY  56   2.460  -0.245  10.413
  369    H    ALA  57           H        ALA  57   4.039  -0.437   7.613
  370    HA   ALA  57           HA       ALA  57   2.920   2.101   6.654
  371    HB1  ALA  57           HB1      ALA  57   5.048   2.433   5.531
  372    HB2  ALA  57           HB2      ALA  57   5.306   2.090   7.242
  373    HB3  ALA  57           HB3      ALA  57   5.586   0.831   6.038
  374    H    ILE  58           H        ILE  58   3.947   2.031   4.046
  375    HA   ILE  58           HA       ILE  58   2.548  -0.239   2.835
  376    HB   ILE  58           HB       ILE  58   2.205   2.513   1.672
  377   HG12  ILE  58          2HG1      ILE  58  -0.187   2.220   2.791
  378   HG13  ILE  58          3HG1      ILE  58   0.732   1.296   3.974
  379   HG21  ILE  58          2HG2      ILE  58   0.732  -0.103   1.427
  380   HG22  ILE  58          1HG2      ILE  58   1.644   0.753   0.181
  381   HG23  ILE  58          3HG2      ILE  58   0.127   1.419   0.775
  382   HD11  ILE  58          3HD1      ILE  58   2.139   3.231   4.413
  383   HD12  ILE  58          2HD1      ILE  58   0.434   3.612   4.665
  384   HD13  ILE  58          1HD1      ILE  58   1.252   4.159   3.203
  385    H    LEU  59           H        LEU  59   2.970  -0.066   0.294
  386    HA   LEU  59           HA       LEU  59   5.806   0.565  -0.115
  387    HB2  LEU  59           HB2      LEU  59   5.439  -1.793   0.647
  388    HB3  LEU  59           HB3      LEU  59   4.470  -2.057  -0.786
  389    HG   LEU  59           HG       LEU  59   6.791  -1.144  -1.868
  390   HD11  LEU  59          2HD1      LEU  59   7.484  -2.767   0.576
  391   HD12  LEU  59          1HD1      LEU  59   7.934  -1.089   0.258
  392   HD13  LEU  59          3HD1      LEU  59   8.597  -2.384  -0.740
  393   HD21  LEU  59          3HD2      LEU  59   6.037  -3.989  -1.211
  394   HD22  LEU  59          2HD2      LEU  59   7.192  -3.488  -2.447
  395   HD23  LEU  59          1HD2      LEU  59   5.488  -3.061  -2.607
  396    H    GLN  60           H        GLN  60   5.679   2.011  -1.775
  397    HA   GLN  60           HA       GLN  60   3.884   1.391  -4.038
  398    HB2  GLN  60           HB2      GLN  60   3.606   3.632  -3.013
  399    HB3  GLN  60           HB3      GLN  60   5.295   3.988  -3.357
  400    HG2  GLN  60           HG2      GLN  60   4.696   3.514  -5.803
  401    HG3  GLN  60           HG3      GLN  60   3.021   3.662  -5.276
  402   HE21  GLN  60          1HE2      GLN  60   2.662   5.444  -6.539
  403   HE22  GLN  60          2HE2      GLN  60   3.333   7.002  -6.186
  404    H    SER  61           H        SER  61   4.658   1.115  -6.075
  405    HA   SER  61           HA       SER  61   7.558   0.796  -6.328
  406    HB2  SER  61           HB2      SER  61   6.044  -1.081  -7.004
  407    HB3  SER  61           HB3      SER  61   5.389  -0.042  -8.269
  408    HG   SER  61           HG       SER  61   7.013  -1.319  -9.150
  409    H    SER  62           H        SER  62   4.892   2.679  -7.536
  410    HA   SER  62           HA       SER  62   4.729   4.545  -8.799
  411    HB2  SER  62           HB2      SER  62   7.752   4.655  -8.659
  412    HB3  SER  62           HB3      SER  62   6.681   5.975  -9.118
  413    HG   SER  62           HG       SER  62   7.379   5.078  -6.645
  414    H    GLU  63           H        GLU  63   5.729   1.728  -9.854
  415    HA   GLU  63           HA       GLU  63   5.987   2.643 -12.640
  416    HB2  GLU  63           HB2      GLU  63   7.082   0.097 -11.420
  417    HB3  GLU  63           HB3      GLU  63   7.203   0.555 -13.112
  418    HG2  GLU  63           HG2      GLU  63   8.457   2.003 -10.792
  419    HG3  GLU  63           HG3      GLU  63   9.288   0.947 -11.932
  420    H    GLY  64           H        GLY  64   4.841   1.421 -14.213
  421    HA2  GLY  64           HA1      GLY  64   3.389  -0.421 -14.793
  422    HA3  GLY  64           HA2      GLY  64   2.835  -0.448 -13.124
  423    HA   PRO  65           HA       PRO  65   0.034   2.058 -16.101
  424    HB2  PRO  65           HB2      PRO  65  -2.191   0.477 -15.690
  425    HB3  PRO  65           HB3      PRO  65  -1.090   0.329 -17.063
  426    HG2  PRO  65           HG2      PRO  65  -1.215  -1.274 -14.548
  427    HG3  PRO  65           HG3      PRO  65  -0.877  -1.804 -16.207
  428    HD2  PRO  65           HD2      PRO  65   1.075  -1.487 -14.373
  429    HD3  PRO  65           HD3      PRO  65   1.337  -1.153 -16.097
  430    H    PHE  66           H        PHE  66  -1.047   0.323 -13.174
  431    HA   PHE  66           HA       PHE  66  -2.148   2.868 -12.189
  432    HB2  PHE  66           HB2      PHE  66  -2.905   0.006 -11.619
  433    HB3  PHE  66           HB3      PHE  66  -3.418   1.326 -10.576
  434    HD1  PHE  66           HD1      PHE  66  -3.728  -0.156 -13.923
  435    HD2  PHE  66           HD2      PHE  66  -5.131   2.839 -11.245
  436    HE1  PHE  66           HE1      PHE  66  -5.655   0.258 -15.397
  437    HE2  PHE  66           HE2      PHE  66  -7.059   3.257 -12.713
  438    HZ   PHE  66           HZ       PHE  66  -7.322   1.965 -14.792
  439    H    GLY  67           H        GLY  67   0.637   1.601 -12.053
  440    HA2  GLY  67           HA1      GLY  67   2.370   1.837 -10.554
  441    HA3  GLY  67           HA2      GLY  67   1.228   2.535  -9.415
  442    H    HIS  68           H        HIS  68   1.649   1.440  -7.583
  443    HA   HIS  68           HA       HIS  68   0.741  -1.192  -7.207
  444    HB2  HIS  68           HB2      HIS  68   2.854  -1.680  -8.517
  445    HB3  HIS  68           HB3      HIS  68   3.760  -0.950  -7.187
  446    HD1  HIS  68           HD1      HIS  68   4.637  -2.613  -5.596
  447    HD2  HIS  68           HD2      HIS  68   1.159  -3.941  -7.433
  448    HE1  HIS  68           HE1      HIS  68   4.232  -4.915  -4.682
  449    HE2  HIS  68           HE2      HIS  68   2.013  -5.617  -5.653
  450    H    VAL  69           H        VAL  69  -0.120  -0.573  -5.191
  451    HA   VAL  69           HA       VAL  69   1.971   0.061  -3.231
  452    HB   VAL  69           HB       VAL  69   0.254   1.140  -1.835
  453   HG11  VAL  69          2HG1      VAL  69   1.728   2.429  -3.281
  454   HG12  VAL  69          1HG1      VAL  69   0.140   3.189  -3.166
  455   HG13  VAL  69          3HG1      VAL  69   0.577   2.273  -4.608
  456   HG21  VAL  69          3HG2      VAL  69  -1.746   0.050  -2.699
  457   HG22  VAL  69          2HG2      VAL  69  -1.504   0.819  -4.269
  458   HG23  VAL  69          1HG2      VAL  69  -1.885   1.802  -2.855
  459    H    ALA  70           H        ALA  70   2.401  -1.479  -1.912
  460    HA   ALA  70           HA       ALA  70   0.321  -3.453  -1.230
  461    HB1  ALA  70           HB1      ALA  70   2.168  -5.023  -0.810
  462    HB2  ALA  70           HB2      ALA  70   2.166  -4.442  -2.475
  463    HB3  ALA  70           HB3      ALA  70   3.320  -3.787  -1.314
  464    H    TYR  71           H        TYR  71  -0.273  -3.520   0.867
  465    HA   TYR  71           HA       TYR  71   0.853  -1.636   2.681
  466    HB2  TYR  71           HB2      TYR  71  -1.497  -2.111   2.843
  467    HB3  TYR  71           HB3      TYR  71  -1.188  -3.832   3.069
  468    HD1  TYR  71           HD2      TYR  71  -0.883  -0.508   4.638
  469    HD2  TYR  71           HD1      TYR  71  -0.710  -4.722   5.206
  470    HE1  TYR  71           HE2      TYR  71  -0.845  -0.163   7.070
  471    HE2  TYR  71           HE1      TYR  71  -0.674  -4.388   7.652
  472    HH   TYR  71           HH       TYR  71  -1.144  -1.212   9.090
  473    H    VAL  72           H        VAL  72   2.494  -1.883   4.038
  474    HA   VAL  72           HA       VAL  72   3.917  -4.413   4.025
  475    HB   VAL  72           HB       VAL  72   4.698  -1.863   5.436
  476   HG11  VAL  72          2HG1      VAL  72   5.912  -3.803   6.190
  477   HG12  VAL  72          1HG1      VAL  72   6.973  -2.782   5.214
  478   HG13  VAL  72          3HG1      VAL  72   6.289  -4.254   4.525
  479   HG21  VAL  72          3HG2      VAL  72   4.336  -1.366   3.082
  480   HG22  VAL  72          2HG2      VAL  72   5.374  -2.720   2.626
  481   HG23  VAL  72          1HG2      VAL  72   6.059  -1.333   3.472
  482    H    GLU  73           H        GLU  73   3.589  -5.901   5.557
  483    HA   GLU  73           HA       GLU  73   2.438  -4.993   8.086
  484    HB2  GLU  73           HB2      GLU  73   2.491  -7.742   6.842
  485    HB3  GLU  73           HB3      GLU  73   1.847  -7.390   8.442
  486    HG2  GLU  73           HG2      GLU  73   0.474  -5.588   7.041
  487    HG3  GLU  73           HG3      GLU  73   0.741  -6.774   5.769
  488    H    SER  74           H        SER  74   5.320  -6.315   6.715
  489    HA   SER  74           HA       SER  74   6.646  -6.116   9.268
  490    HB2  SER  74           HB2      SER  74   6.495  -8.825   7.917
  491    HB3  SER  74           HB3      SER  74   7.479  -8.432   9.325
  492    HG   SER  74           HG       SER  74   5.246  -9.458   9.550
  493    H    VAL  75           H        VAL  75   8.799  -5.679   9.019
  494    HA   VAL  75           HA       VAL  75  10.018  -6.460   6.458
  495    HB   VAL  75           HB       VAL  75  10.158  -4.038   6.752
  496   HG11  VAL  75          2HG1      VAL  75  10.060  -3.875   9.166
  497   HG12  VAL  75          1HG1      VAL  75  11.485  -3.037   8.554
  498   HG13  VAL  75          3HG1      VAL  75  11.651  -4.624   9.304
  499   HG21  VAL  75          3HG2      VAL  75  12.813  -5.428   7.100
  500   HG22  VAL  75          2HG2      VAL  75  12.599  -3.778   6.513
  501   HG23  VAL  75          1HG2      VAL  75  11.969  -5.136   5.579
  502    H    ASN  76           H        ASN  76  11.392  -8.084   6.565
  503    HA   ASN  76           HA       ASN  76  11.630  -9.397   9.096
  504    HB2  ASN  76           HB2      ASN  76  12.615 -10.192   6.351
  505    HB3  ASN  76           HB3      ASN  76  12.693 -11.219   7.779
  506   HD21  ASN  76          1HD2      ASN  76  10.618  -9.762   5.406
  507   HD22  ASN  76          2HD2      ASN  76   9.201 -10.696   5.768
  508    H    SER  77           H        SER  77  13.687 -10.373   9.804
  509    HA   SER  77           HA       SER  77  15.494  -8.264  10.367
  510    HB2  SER  77           HB2      SER  77  14.891 -10.171  11.896
  511    HB3  SER  77           HB3      SER  77  15.872 -11.223  10.879
  512    HG   SER  77           HG       SER  77  17.012 -10.431  12.705
  513    H    ASP  78           H        ASP  78  15.403 -10.708   7.928
  514    HA   ASP  78           HA       ASP  78  18.235 -10.560   7.337
  515    HB2  ASP  78           HB2      ASP  78  17.760 -12.147   5.553
  516    HB3  ASP  78           HB3      ASP  78  16.998 -12.680   7.047
  517    H    GLY  79           H        GLY  79  15.611  -8.621   6.682
  518    HA2  GLY  79           HA1      GLY  79  16.083  -6.553   5.495
  519    HA3  GLY  79           HA2      GLY  79  17.001  -7.498   4.334
  520    H    SER  80           H        SER  80  14.841  -9.599   4.370
  521    HA   SER  80           HA       SER  80  13.379  -8.624   2.152
  522    HB2  SER  80           HB2      SER  80  12.871 -11.053   3.886
  523    HB3  SER  80           HB3      SER  80  12.118 -10.744   2.321
  524    HG   SER  80           HG       SER  80  14.775 -11.414   2.938
  525    H    VAL  81           H        VAL  81  11.214  -8.035   1.960
  526    HA   VAL  81           HA       VAL  81   9.971  -7.198   4.499
  527    HB   VAL  81           HB       VAL  81   9.622  -5.986   1.754
  528   HG11  VAL  81          2HG1      VAL  81   8.620  -5.086   4.449
  529   HG12  VAL  81          1HG1      VAL  81   7.641  -5.735   3.133
  530   HG13  VAL  81          3HG1      VAL  81   8.463  -4.186   2.941
  531   HG21  VAL  81          3HG2      VAL  81  11.178  -5.006   4.145
  532   HG22  VAL  81          2HG2      VAL  81  10.902  -4.095   2.658
  533   HG23  VAL  81          1HG2      VAL  81  11.852  -5.580   2.619
  534    H    THR  82           H        THR  82   8.085  -8.036   5.029
  535    HA   THR  82           HA       THR  82   6.644  -9.667   3.075
  536    HB   THR  82           HB       THR  82   6.381  -9.492   6.087
  537    HG1  THR  82           HG1      THR  82   7.172 -11.811   4.698
  538   HG21  THR  82          3HG2      THR  82   4.232 -10.042   5.028
  539   HG22  THR  82          1HG2      THR  82   4.894 -11.433   5.890
  540   HG23  THR  82          2HG2      THR  82   5.009 -11.348   4.132
  541    H    ILE  83           H        ILE  83   5.039  -8.711   2.020
  542    HA   ILE  83           HA       ILE  83   3.538  -6.585   3.401
  543    HB   ILE  83           HB       ILE  83   3.019  -5.684   1.121
  544   HG12  ILE  83          2HG1      ILE  83   4.869  -6.331  -0.604
  545   HG13  ILE  83          3HG1      ILE  83   4.994  -7.810   0.338
  546   HG21  ILE  83          2HG2      ILE  83   5.188  -4.567   0.856
  547   HG22  ILE  83          1HG2      ILE  83   5.912  -5.742   1.954
  548   HG23  ILE  83          3HG2      ILE  83   4.670  -4.635   2.540
  549   HD11  ILE  83          3HD1      ILE  83   3.556  -8.104  -1.592
  550   HD12  ILE  83          2HD1      ILE  83   2.516  -6.795  -1.032
  551   HD13  ILE  83          1HD1      ILE  83   2.642  -8.282  -0.094
  552    H    SER  84           H        SER  84   1.314  -6.296   2.644
  553    HA   SER  84           HA       SER  84   0.103  -8.746   1.571
  554    HB2  SER  84           HB2      SER  84  -0.987  -7.038   3.824
  555    HB3  SER  84           HB3      SER  84  -1.807  -8.423   3.100
  556    HG   SER  84           HG       SER  84  -0.354  -8.606   5.143
  557    H    GLU  85           H        GLU  85  -0.174  -7.971  -0.438
  558    HA   GLU  85           HA       GLU  85  -1.771  -5.532  -0.773
  559    HB2  GLU  85           HB2      GLU  85  -0.989  -5.623  -3.163
  560    HB3  GLU  85           HB3      GLU  85   0.275  -5.334  -1.977
  561    HG2  GLU  85           HG2      GLU  85   0.957  -7.659  -2.108
  562    HG3  GLU  85           HG3      GLU  85  -0.342  -7.988  -3.253
  563    H    MET  86           H        MET  86  -3.857  -6.096  -0.747
  564    HA   MET  86           HA       MET  86  -4.754  -8.612  -1.785
  565    HB2  MET  86           HB2      MET  86  -5.793  -7.596   0.202
  566    HB3  MET  86           HB3      MET  86  -6.347  -6.248  -0.783
  567    HG2  MET  86           HG2      MET  86  -7.803  -7.651  -2.028
  568    HG3  MET  86           HG3      MET  86  -7.121  -9.098  -1.295
  569    HE1  MET  86           HE1      MET  86  -7.679  -9.998   1.037
  570    HE2  MET  86           HE2      MET  86  -6.915  -8.567   1.728
  571    HE3  MET  86           HE3      MET  86  -8.506  -9.075   2.293
  572    H    ASN  87           H        ASN  87  -4.818  -8.916  -3.887
  573    HA   ASN  87           HA       ASN  87  -5.722  -8.908  -5.957
  574    HB2  ASN  87           HB2      ASN  87  -7.849  -8.269  -5.028
  575    HB3  ASN  87           HB3      ASN  87  -7.356  -6.581  -4.943
  576   HD21  ASN  87          1HD2      ASN  87  -9.091  -5.931  -6.219
  577   HD22  ASN  87          2HD2      ASN  87  -9.147  -6.224  -7.924
  578    H    TYR  88           H        TYR  88  -5.286  -5.468  -5.051
  579    HA   TYR  88           HA       TYR  88  -4.323  -3.729  -6.145
  580    HB2  TYR  88           HB2      TYR  88  -2.261  -4.872  -6.324
  581    HB3  TYR  88           HB3      TYR  88  -2.879  -5.982  -7.537
  582    HD1  TYR  88           HD1      TYR  88  -2.460  -2.269  -7.147
  583    HD2  TYR  88           HD2      TYR  88  -2.088  -5.687  -9.653
  584    HE1  TYR  88           HE1      TYR  88  -1.526  -0.856  -8.933
  585    HE2  TYR  88           HE2      TYR  88  -1.160  -4.285 -11.444
  586    HH   TYR  88           HH       TYR  88  -0.017  -1.199 -10.952
  587    H    SER  89           H        SER  89  -4.661  -6.032  -8.836
  588    HA   SER  89           HA       SER  89  -7.162  -5.114  -9.694
  589    HB2  SER  89           HB2      SER  89  -6.458  -3.956 -11.806
  590    HB3  SER  89           HB3      SER  89  -6.073  -3.049 -10.344
  591    HG   SER  89           HG       SER  89  -4.213  -4.769 -11.607
  592    H    GLY  90           H        GLY  90  -7.167  -7.430  -9.581
  593    HA2  GLY  90           HA1      GLY  90  -6.824  -8.666 -12.117
  594    HA3  GLY  90           HA2      GLY  90  -5.536  -9.144 -11.020
  595    H    GLY  91           H        GLY  91  -6.143 -10.185  -9.000
  596    HA2  GLY  91           HA1      GLY  91  -8.643 -11.710  -9.309
  597    HA3  GLY  91           HA2      GLY  91  -7.239 -12.233  -8.385
  598    HA   PRO  92           HA       PRO  92 -10.149  -8.821  -6.167
  599    HB2  PRO  92           HB2      PRO  92 -12.363 -10.825  -6.251
  600    HB3  PRO  92           HB3      PRO  92 -12.440  -9.058  -6.289
  601    HG2  PRO  92           HG2      PRO  92 -12.798 -10.452  -8.515
  602    HG3  PRO  92           HG3      PRO  92 -11.852  -8.951  -8.534
  603    HD2  PRO  92           HD2      PRO  92 -10.911 -11.785  -8.621
  604    HD3  PRO  92           HD3      PRO  92 -10.269 -10.356  -9.457
  605    H    PHE  93           H        PHE  93  -9.456  -8.895  -4.180
  606    HA   PHE  93           HA       PHE  93  -9.159  -9.456  -2.021
  607    HB2  PHE  93           HB2      PHE  93 -10.955 -11.793  -2.641
  608    HB3  PHE  93           HB3      PHE  93 -10.308 -11.417  -1.044
  609    HD1  PHE  93           HD1      PHE  93 -12.639 -10.332  -3.681
  610    HD2  PHE  93           HD2      PHE  93 -11.194  -9.631   0.259
  611    HE1  PHE  93           HE1      PHE  93 -14.553  -8.850  -3.247
  612    HE2  PHE  93           HE2      PHE  93 -13.105  -8.146   0.697
  613    HZ   PHE  93           HZ       PHE  93 -14.790  -7.754  -1.057
  614    H    SER  94           H        SER  94  -7.839 -11.077  -4.521
  615    HA   SER  94           HA       SER  94  -6.499 -13.147  -3.103
  616    HB2  SER  94           HB2      SER  94  -5.813 -11.684  -5.660
  617    HB3  SER  94           HB3      SER  94  -4.796 -12.967  -4.989
  618    HG   SER  94           HG       SER  94  -6.462 -13.590  -6.605
  619    H    VAL  95           H        VAL  95  -5.797 -12.292  -1.174
  620    HA   VAL  95           HA       VAL  95  -4.249  -9.946  -1.024
  621    HB   VAL  95           HB       VAL  95  -5.394 -10.670   0.951
  622   HG11  VAL  95          2HG1      VAL  95  -4.756 -12.700   2.186
  623   HG12  VAL  95          1HG1      VAL  95  -3.715 -13.164   0.841
  624   HG13  VAL  95          3HG1      VAL  95  -5.458 -13.049   0.606
  625   HG21  VAL  95          3HG2      VAL  95  -3.322  -9.440   1.296
  626   HG22  VAL  95          2HG2      VAL  95  -2.423 -10.955   1.354
  627   HG23  VAL  95          1HG2      VAL  95  -3.608 -10.584   2.607
  628    H    SER  96           H        SER  96  -2.544  -9.959  -2.410
  629    HA   SER  96           HA       SER  96  -0.979 -12.257  -2.949
  630    HB2  SER  96           HB2      SER  96  -1.320 -10.456  -4.597
  631    HB3  SER  96           HB3      SER  96  -0.417  -9.345  -3.569
  632    HG   SER  96           HG       SER  96   1.176 -10.032  -4.772
  633    H    SER  97           H        SER  97   0.427 -13.115  -1.667
  634    HA   SER  97           HA       SER  97   1.748 -11.510   0.384
  635    HB2  SER  97           HB2      SER  97   1.790 -14.498  -0.098
  636    HB3  SER  97           HB3      SER  97   2.489 -13.673   1.295
  637    HG   SER  97           HG       SER  97  -0.156 -13.065   0.813
  638    H    ARG  98           H        ARG  98   3.369 -10.377  -0.538
  639    HA   ARG  98           HA       ARG  98   5.297 -11.869  -2.194
  640    HB2  ARG  98           HB2      ARG  98   3.903  -9.908  -3.186
  641    HB3  ARG  98           HB3      ARG  98   4.987  -8.881  -2.258
  642    HG2  ARG  98           HG2      ARG  98   6.902  -9.836  -3.445
  643    HG3  ARG  98           HG3      ARG  98   5.801 -10.848  -4.384
  644    HD2  ARG  98           HD2      ARG  98   4.684  -8.765  -5.180
  645    HD3  ARG  98           HD3      ARG  98   5.940  -7.836  -4.366
  646    HE   ARG  98           HE       ARG  98   7.211  -9.661  -6.061
  647   HH11  ARG  98          2HH1      ARG  98   5.088  -6.890  -6.291
  648   HH12  ARG  98          1HH1      ARG  98   5.678  -6.377  -7.844
  649   HH21  ARG  98          2HH2      ARG  98   7.984  -9.029  -8.134
  650   HH22  ARG  98          1HH2      ARG  98   7.304  -7.626  -8.914
  651    H    THR  99           H        THR  99   7.536 -11.359  -1.917
  652    HA   THR  99           HA       THR  99   8.155 -10.166   0.703
  653    HB   THR  99           HB       THR  99   9.595 -12.516  -0.553
  654    HG1  THR  99           HG1      THR  99   7.513 -13.153   0.133
  655   HG21  THR  99          3HG2      THR  99  10.621 -12.736   1.664
  656   HG22  THR  99          1HG2      THR  99   9.758 -11.294   2.204
  657   HG23  THR  99          2HG2      THR  99  10.983 -11.169   0.941
  658    H    ILE 100           H        ILE 100   9.093  -8.299   0.272
  659    HA   ILE 100           HA       ILE 100  10.481  -7.818  -2.208
  660    HB   ILE 100           HB       ILE 100   9.969  -6.055   0.192
  661   HG12  ILE 100          2HG1      ILE 100   8.667  -4.779  -1.655
  662   HG13  ILE 100          3HG1      ILE 100   8.743  -6.308  -2.533
  663   HG21  ILE 100          2HG2      ILE 100  11.303  -5.312  -2.399
  664   HG22  ILE 100          1HG2      ILE 100  12.070  -5.394  -0.813
  665   HG23  ILE 100          3HG2      ILE 100  10.822  -4.187  -1.130
  666   HD11  ILE 100          3HD1      ILE 100   7.554  -5.926   0.197
  667   HD12  ILE 100          2HD1      ILE 100   7.572  -7.421  -0.736
  668   HD13  ILE 100          1HD1      ILE 100   6.654  -6.033  -1.316
  669    H    SER 101           H        SER 101  12.601  -8.057  -2.533
  670    HA   SER 101           HA       SER 101  14.423  -8.453  -0.333
  671    HB2  SER 101           HB2      SER 101  14.694  -9.520  -2.614
  672    HB3  SER 101           HB3      SER 101  15.124  -7.925  -3.234
  673    HG   SER 101           HG       SER 101  16.515  -9.567  -1.399
  674    H    ALA 102           H        ALA 102  16.038  -7.023   0.356
  675    HA   ALA 102           HA       ALA 102  15.397  -4.413   0.795
  676    HB1  ALA 102           HB1      ALA 102  17.166  -5.627   1.968
  677    HB2  ALA 102           HB2      ALA 102  18.194  -5.504   0.540
  678    HB3  ALA 102           HB3      ALA 102  17.718  -4.047   1.413
  679    H    SER 103           H        SER 103  17.100  -5.670  -2.023
  680    HA   SER 103           HA       SER 103  18.080  -3.274  -3.066
  681    HB2  SER 103           HB2      SER 103  17.892  -4.551  -5.300
  682    HB3  SER 103           HB3      SER 103  18.908  -5.249  -4.037
  683    HG   SER 103           HG       SER 103  16.486  -6.142  -5.092
  684    H    GLU 104           H        GLU 104  14.954  -4.884  -3.601
  685    HA   GLU 104           HA       GLU 104  13.995  -2.747  -5.276
  686    HB2  GLU 104           HB2      GLU 104  12.594  -5.121  -4.044
  687    HB3  GLU 104           HB3      GLU 104  11.775  -3.923  -5.036
  688    HG2  GLU 104           HG2      GLU 104  12.247  -5.720  -6.458
  689    HG3  GLU 104           HG3      GLU 104  13.429  -4.474  -6.853
  690    H    ALA 105           H        ALA 105  13.820  -3.656  -1.916
  691    HA   ALA 105           HA       ALA 105  11.761  -1.973  -1.056
  692    HB1  ALA 105           HB1      ALA 105  12.789  -3.691   0.355
  693    HB2  ALA 105           HB2      ALA 105  14.269  -2.733   0.441
  694    HB3  ALA 105           HB3      ALA 105  12.778  -2.118   1.153
  695    H    GLY 106           H        GLY 106  15.035  -1.305  -2.000
  696    HA2  GLY 106           HA1      GLY 106  15.348   1.260  -0.885
  697    HA3  GLY 106           HA2      GLY 106  16.195   0.645  -2.292
  698    H    ASN 107           H        ASN 107  13.670   0.227  -3.826
  699    HA   ASN 107           HA       ASN 107  13.376   3.044  -4.607
  700    HB2  ASN 107           HB2      ASN 107  12.738   2.325  -6.780
  701    HB3  ASN 107           HB3      ASN 107  14.117   1.335  -6.325
  702   HD21  ASN 107          1HD2      ASN 107  10.659   1.384  -6.819
  703   HD22  ASN 107          2HD2      ASN 107  10.447  -0.324  -6.939
  704    H    TYR 108           H        TYR 108  11.726   0.656  -2.936
  705    HA   TYR 108           HA       TYR 108   9.075   1.372  -3.806
  706    HB2  TYR 108           HB2      TYR 108  10.145  -0.426  -1.667
  707    HB3  TYR 108           HB3      TYR 108   8.435  -0.041  -1.756
  708    HD1  TYR 108           HD1      TYR 108   7.979  -0.074  -4.681
  709    HD2  TYR 108           HD2      TYR 108  10.275  -2.675  -2.227
  710    HE1  TYR 108           HE1      TYR 108   7.615  -1.904  -6.285
  711    HE2  TYR 108           HE2      TYR 108   9.925  -4.505  -3.825
  712    HH   TYR 108           HH       TYR 108   8.638  -4.016  -6.952
  713    H    ASN 109           H        ASN 109   8.189   3.182  -3.253
  714    HA   ASN 109           HA       ASN 109   9.103   4.763  -1.024
  715    HB2  ASN 109           HB2      ASN 109   6.845   5.230  -2.989
  716    HB3  ASN 109           HB3      ASN 109   7.364   6.392  -1.773
  717   HD21  ASN 109          1HD2      ASN 109   7.259   6.574  -4.673
  718   HD22  ASN 109          2HD2      ASN 109   8.861   6.998  -5.182
  719    H    TYR 110           H        TYR 110   7.609   5.670   0.561
  720    HA   TYR 110           HA       TYR 110   5.080   4.325   0.924
  721    HB2  TYR 110           HB2      TYR 110   5.448   3.606   3.184
  722    HB3  TYR 110           HB3      TYR 110   6.705   2.904   2.183
  723    HD1  TYR 110           HD2      TYR 110   8.150   5.843   2.244
  724    HD2  TYR 110           HD1      TYR 110   6.862   2.992   5.118
  725    HE1  TYR 110           HE2      TYR 110   9.824   6.683   3.826
  726    HE2  TYR 110           HE1      TYR 110   8.543   3.823   6.701
  727    HH   TYR 110           HH       TYR 110  10.702   5.031   6.643
  728    H    ILE 111           H        ILE 111   3.752   5.486   2.624
  729    HA   ILE 111           HA       ILE 111   4.641   8.286   2.720
  730    HB   ILE 111           HB       ILE 111   2.286   8.974   2.446
  731   HG12  ILE 111          2HG1      ILE 111   1.845   6.025   1.909
  732   HG13  ILE 111          3HG1      ILE 111   1.136   6.970   3.212
  733   HG21  ILE 111          2HG2      ILE 111   2.178   8.471   0.038
  734   HG22  ILE 111          1HG2      ILE 111   3.423   7.241   0.254
  735   HG23  ILE 111          3HG2      ILE 111   3.800   8.937   0.552
  736   HD11  ILE 111          3HD1      ILE 111  -0.485   6.595   1.468
  737   HD12  ILE 111          2HD1      ILE 111   0.599   7.305   0.266
  738   HD13  ILE 111          1HD1      ILE 111  -0.080   8.308   1.554
  739    H    HIS 112           H        HIS 112   4.723   9.211   4.607
  740    HA   HIS 112           HA       HIS 112   3.593   7.813   6.932
  741    HB2  HIS 112           HB2      HIS 112   5.983   9.505   6.460
  742    HB3  HIS 112           HB3      HIS 112   5.199   9.671   8.024
  743    HD1  HIS 112           HD1      HIS 112   5.133   7.552   9.545
  744    HD2  HIS 112           HD2      HIS 112   7.486   7.181   6.120
  745    HE1  HIS 112           HE1      HIS 112   6.640   5.593   9.969
  746    HE2  HIS 112           HE2      HIS 112   8.233   5.577   8.027
  747    H    ILE 113           H        ILE 113   2.361   8.872   8.455
  748    HA   ILE 113           HA       ILE 113   1.017  11.299   7.699
  749    HB   ILE 113           HB       ILE 113   0.915   9.590  10.188
  750   HG12  ILE 113          2HG1      ILE 113  -0.176   8.690   8.184
  751   HG13  ILE 113          3HG1      ILE 113  -1.353   9.094   9.432
  752   HG21  ILE 113          2HG2      ILE 113  -0.628  12.118   9.635
  753   HG22  ILE 113          1HG2      ILE 113   0.555  11.860  10.920
  754   HG23  ILE 113          3HG2      ILE 113  -0.975  10.981  10.938
  755   HD11  ILE 113          3HD1      ILE 113  -1.914  11.145   8.258
  756   HD12  ILE 113          2HD1      ILE 113  -2.116   9.741   7.209
  757   HD13  ILE 113          1HD1      ILE 113  -0.705  10.785   7.025
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1 -31.094  -8.244   2.286
    2    H2   GLY   1           H2       GLY   1 -31.965  -9.399   3.173
    3    H3   GLY   1           H3       GLY   1 -30.593  -9.864   2.293
    4    HA2  GLY   1           HA2      GLY   1 -30.609  -8.052   4.640
    5    HA3  GLY   1           HA1      GLY   1 -30.100  -9.736   4.650
    6    H    SER   2           H        SER   2 -28.176  -8.514   5.560
    7    HA   SER   2           HA       SER   2 -26.095  -7.629   5.418
    8    HB2  SER   2           HB2      SER   2 -24.656  -8.626   3.623
    9    HB3  SER   2           HB3      SER   2 -25.574  -9.809   4.550
   10    HG   SER   2           HG       SER   2 -26.975  -8.970   2.384
   11    H    SER   3           H        SER   3 -27.876  -5.748   4.654
   12    HA   SER   3           HA       SER   3 -27.065  -4.594   2.135
   13    HB2  SER   3           HB2      SER   3 -28.830  -3.480   4.331
   14    HB3  SER   3           HB3      SER   3 -28.625  -2.784   2.722
   15    HG   SER   3           HG       SER   3 -29.332  -4.984   1.985
   16    H    ILE   4           H        ILE   4 -25.173  -3.634   1.974
   17    HA   ILE   4           HA       ILE   4 -24.188  -2.037   4.242
   18    HB   ILE   4           HB       ILE   4 -22.733  -3.939   3.788
   19   HG12  ILE   4          2HG1      ILE   4 -21.486  -1.370   2.788
   20   HG13  ILE   4          3HG1      ILE   4 -21.707  -1.798   4.481
   21   HG21  ILE   4          2HG2      ILE   4 -21.564  -4.167   1.638
   22   HG22  ILE   4          1HG2      ILE   4 -22.536  -2.847   0.984
   23   HG23  ILE   4          3HG2      ILE   4 -23.310  -4.353   1.476
   24   HD11  ILE   4          3HD1      ILE   4 -20.198  -3.689   4.206
   25   HD12  ILE   4          2HD1      ILE   4 -19.420  -2.175   3.750
   26   HD13  ILE   4          1HD1      ILE   4 -19.991  -3.284   2.503
   27    H    SER   5           H        SER   5 -23.465   0.053   3.836
   28    HA   SER   5           HA       SER   5 -24.435   1.202   1.346
   29    HB2  SER   5           HB2      SER   5 -24.966   2.314   3.507
   30    HB3  SER   5           HB3      SER   5 -23.243   2.593   3.762
   31    HG   SER   5           HG       SER   5 -24.407   3.460   1.358
   32    H    HIS   6           H        HIS   6 -23.037   0.669  -0.222
   33    HA   HIS   6           HA       HIS   6 -21.201   0.654  -1.534
   34    HB2  HIS   6           HB2      HIS   6 -20.264   2.850   0.328
   35    HB3  HIS   6           HB3      HIS   6 -19.420   2.374  -1.141
   36    HD1  HIS   6           HD1      HIS   6 -20.999   2.582  -3.394
   37    HD2  HIS   6           HD2      HIS   6 -22.096   4.817  -0.064
   38    HE1  HIS   6           HE1      HIS   6 -22.539   4.374  -4.256
   39    HE2  HIS   6           HE2      HIS   6 -23.343   5.583  -2.200
   40    H    SER   7           H        SER   7 -19.467   1.441   1.449
   41    HA   SER   7           HA       SER   7 -18.712  -1.262   1.987
   42    HB2  SER   7           HB2      SER   7 -16.621   0.624   0.850
   43    HB3  SER   7           HB3      SER   7 -16.260  -0.914   1.631
   44    HG   SER   7           HG       SER   7 -18.129  -1.154  -0.342
   45    H    GLY   8           H        GLY   8 -16.861  -1.190   3.747
   46    HA2  GLY   8           HA1      GLY   8 -17.676   0.606   5.816
   47    HA3  GLY   8           HA2      GLY   8 -16.307  -0.499   5.882
   48    H    ASN   9           H        ASN   9 -15.036   0.489   3.525
   49    HA   ASN   9           HA       ASN   9 -14.080   3.089   4.492
   50    HB2  ASN   9           HB2      ASN   9 -12.042   2.627   3.175
   51    HB3  ASN   9           HB3      ASN   9 -12.334   1.403   4.404
   52   HD21  ASN   9          1HD2      ASN   9 -10.689   1.097   2.128
   53   HD22  ASN   9          2HD2      ASN   9 -11.374  -0.159   1.160
   54    H    LEU  10           H        LEU  10 -12.912   4.106   2.259
   55    HA   LEU  10           HA       LEU  10 -15.315   5.008   0.905
   56    HB2  LEU  10           HB2      LEU  10 -12.480   6.003   0.785
   57    HB3  LEU  10           HB3      LEU  10 -13.868   6.808   0.074
   58    HG   LEU  10           HG       LEU  10 -13.398   6.375   3.028
   59   HD11  LEU  10          2HD1      LEU  10 -11.943   8.072   2.096
   60   HD12  LEU  10          1HD1      LEU  10 -13.191   8.817   3.094
   61   HD13  LEU  10          3HD1      LEU  10 -13.321   8.866   1.336
   62   HD21  LEU  10          3HD2      LEU  10 -15.389   7.747   3.353
   63   HD22  LEU  10          2HD2      LEU  10 -15.774   6.272   2.468
   64   HD23  LEU  10          1HD2      LEU  10 -15.643   7.807   1.609
   65    H    TYR  11           H        TYR  11 -12.638   2.978   0.201
   66    HA   TYR  11           HA       TYR  11 -12.408   3.758  -2.556
   67    HB2  TYR  11           HB2      TYR  11 -10.631   2.760  -0.832
   68    HB3  TYR  11           HB3      TYR  11 -11.149   1.253  -1.577
   69    HD1  TYR  11           HD1      TYR  11 -10.712   0.830  -3.960
   70    HD2  TYR  11           HD2      TYR  11  -9.355   4.385  -2.062
   71    HE1  TYR  11           HE1      TYR  11  -9.193   1.250  -5.843
   72    HE2  TYR  11           HE2      TYR  11  -7.835   4.813  -3.945
   73    HH   TYR  11           HH       TYR  11  -8.064   3.329  -6.873
   74    H    THR  12           H        THR  12 -12.250   1.844  -4.182
   75    HA   THR  12           HA       THR  12 -14.809   1.012  -4.792
   76    HB   THR  12           HB       THR  12 -12.238  -0.271  -5.737
   77    HG1  THR  12           HG1      THR  12 -13.599   2.101  -6.548
   78   HG21  THR  12          3HG2      THR  12 -14.894   0.029  -7.146
   79   HG22  THR  12          1HG2      THR  12 -14.311  -1.458  -6.396
   80   HG23  THR  12          2HG2      THR  12 -13.449  -0.769  -7.772
   81    H    ALA  13           H        ALA  13 -12.416  -1.554  -4.609
   82    HA   ALA  13           HA       ALA  13 -13.357  -2.979  -2.419
   83    HB1  ALA  13           HB1      ALA  13 -14.619  -3.903  -4.997
   84    HB2  ALA  13           HB2      ALA  13 -14.777  -4.667  -3.416
   85    HB3  ALA  13           HB3      ALA  13 -15.476  -3.071  -3.699
   86    H    GLY  14           H        GLY  14 -11.778  -4.361  -1.985
   87    HA2  GLY  14           HA1      GLY  14 -10.362  -6.150  -2.266
   88    HA3  GLY  14           HA2      GLY  14 -10.892  -6.251  -3.933
   89    H    GLN  15           H        GLN  15  -9.959  -3.199  -3.882
   90    HA   GLN  15           HA       GLN  15  -7.674  -3.759  -5.462
   91    HB2  GLN  15           HB2      GLN  15  -8.480  -1.111  -4.241
   92    HB3  GLN  15           HB3      GLN  15  -7.389  -1.342  -5.600
   93    HG2  GLN  15           HG2      GLN  15 -10.285  -2.152  -5.615
   94    HG3  GLN  15           HG3      GLN  15  -9.682  -0.609  -6.219
   95   HE21  GLN  15          1HE2      GLN  15  -9.637  -4.069  -6.679
   96   HE22  GLN  15          2HE2      GLN  15  -9.201  -4.025  -8.347
   97    H    CYS  16           H        CYS  16  -5.450  -3.060  -5.106
   98    HA   CYS  16           HA       CYS  16  -4.327  -3.662  -2.627
   99    HB2  CYS  16           HB2      CYS  16  -3.241  -1.858  -4.800
  100    HB3  CYS  16           HB3      CYS  16  -2.302  -2.476  -3.445
  101    HG   CYS  16           HG       CYS  16  -1.427  -4.396  -4.914
  102    H    THR  17           H        THR  17  -5.277  -0.584  -4.040
  103    HA   THR  17           HA       THR  17  -4.334   1.010  -1.868
  104    HB   THR  17           HB       THR  17  -6.041   2.668  -3.034
  105    HG1  THR  17           HG1      THR  17  -6.459   2.038  -5.173
  106   HG21  THR  17          3HG2      THR  17  -3.599   2.870  -3.107
  107   HG22  THR  17          1HG2      THR  17  -4.322   3.236  -4.675
  108   HG23  THR  17          2HG2      THR  17  -3.539   1.678  -4.407
  109    H    TRP  18           H        TRP  18  -7.292  -0.612  -2.671
  110    HA   TRP  18           HA       TRP  18  -8.951   0.542  -0.671
  111    HB2  TRP  18           HB2      TRP  18  -9.834  -0.634  -2.651
  112    HB3  TRP  18           HB3      TRP  18  -9.112  -2.133  -2.084
  113    HD1  TRP  18           HD1      TRP  18 -12.034   0.243  -1.384
  114    HE1  TRP  18           HE1      TRP  18 -13.774  -1.032   0.012
  115    HE3  TRP  18           HE3      TRP  18  -9.369  -4.013  -0.391
  116    HZ2  TRP  18           HZ2      TRP  18 -13.999  -3.482   1.372
  117    HZ3  TRP  18           HZ3      TRP  18 -10.426  -5.763   0.973
  118    HH2  TRP  18           HH2      TRP  18 -12.692  -5.508   1.837
  119    H    TYR  19           H        TYR  19  -7.130  -2.503  -0.903
  120    HA   TYR  19           HA       TYR  19  -7.743  -3.463   1.670
  121    HB2  TYR  19           HB2      TYR  19  -6.884  -4.845  -0.168
  122    HB3  TYR  19           HB3      TYR  19  -5.341  -4.009  -0.080
  123    HD1  TYR  19           HD2      TYR  19  -7.570  -5.549   2.510
  124    HD2  TYR  19           HD1      TYR  19  -3.726  -5.415   0.698
  125    HE1  TYR  19           HE2      TYR  19  -6.762  -7.234   4.114
  126    HE2  TYR  19           HE1      TYR  19  -2.907  -7.090   2.291
  127    HH   TYR  19           HH       TYR  19  -3.355  -8.186   4.207
  128    H    VAL  20           H        VAL  20  -4.965  -1.587   0.475
  129    HA   VAL  20           HA       VAL  20  -3.513  -1.494   2.864
  130    HB   VAL  20           HB       VAL  20  -3.675   0.488   0.592
  131   HG11  VAL  20          2HG1      VAL  20  -1.744   0.488   2.914
  132   HG12  VAL  20          1HG1      VAL  20  -3.005   1.684   2.615
  133   HG13  VAL  20          3HG1      VAL  20  -1.652   1.529   1.493
  134   HG21  VAL  20          3HG2      VAL  20  -1.587  -1.542   1.378
  135   HG22  VAL  20          2HG2      VAL  20  -1.471  -0.424   0.018
  136   HG23  VAL  20          1HG2      VAL  20  -2.716  -1.675   0.029
  137    H    TYR  21           H        TYR  21  -6.061   0.656   1.644
  138    HA   TYR  21           HA       TYR  21  -5.876   2.555   3.700
  139    HB2  TYR  21           HB2      TYR  21  -7.075   2.890   1.529
  140    HB3  TYR  21           HB3      TYR  21  -8.366   1.855   2.138
  141    HD1  TYR  21           HD1      TYR  21  -6.394   4.799   3.298
  142    HD2  TYR  21           HD2      TYR  21 -10.196   2.923   3.018
  143    HE1  TYR  21           HE1      TYR  21  -7.409   6.733   4.408
  144    HE2  TYR  21           HE2      TYR  21 -11.239   4.858   4.109
  145    HH   TYR  21           HH       TYR  21 -10.773   6.715   5.408
  146    H    ASP  22           H        ASP  22  -7.725  -0.441   3.433
  147    HA   ASP  22           HA       ASP  22  -9.180  -0.067   5.847
  148    HB2  ASP  22           HB2      ASP  22  -9.965  -1.660   4.191
  149    HB3  ASP  22           HB3      ASP  22  -8.485  -2.599   4.343
  150    H    LYS  23           H        LYS  23  -6.171  -1.776   5.063
  151    HA   LYS  23           HA       LYS  23  -5.748  -2.904   7.606
  152    HB2  LYS  23           HB2      LYS  23  -3.822  -2.244   5.383
  153    HB3  LYS  23           HB3      LYS  23  -3.366  -3.138   6.828
  154    HG2  LYS  23           HG2      LYS  23  -5.636  -4.060   5.110
  155    HG3  LYS  23           HG3      LYS  23  -3.966  -4.436   4.687
  156    HD2  LYS  23           HD2      LYS  23  -5.125  -5.050   7.398
  157    HD3  LYS  23           HD3      LYS  23  -5.223  -6.181   6.046
  158    HE2  LYS  23           HE2      LYS  23  -2.733  -6.038   5.856
  159    HE3  LYS  23           HE3      LYS  23  -2.731  -5.079   7.332
  160    HZ1  LYS  23           HZ1      LYS  23  -2.303  -7.562   7.531
  161    HZ2  LYS  23           HZ2      LYS  23  -3.966  -7.763   7.252
  162    HZ3  LYS  23           HZ3      LYS  23  -3.434  -6.883   8.599
  163    H    VAL  24           H        VAL  24  -4.781   0.225   6.252
  164    HA   VAL  24           HA       VAL  24  -3.178   0.887   8.550
  165    HB   VAL  24           HB       VAL  24  -2.981   3.127   7.614
  166   HG11  VAL  24          2HG1      VAL  24  -2.669   0.961   5.540
  167   HG12  VAL  24          1HG1      VAL  24  -1.493   1.413   6.775
  168   HG13  VAL  24          3HG1      VAL  24  -1.900   2.549   5.489
  169   HG21  VAL  24          3HG2      VAL  24  -4.934   2.205   5.503
  170   HG22  VAL  24          2HG2      VAL  24  -4.060   3.736   5.505
  171   HG23  VAL  24          1HG2      VAL  24  -5.253   3.401   6.759
  172    H    GLY  25           H        GLY  25  -6.460   0.727   8.028
  173    HA2  GLY  25           HA1      GLY  25  -8.087   1.050   9.660
  174    HA3  GLY  25           HA2      GLY  25  -6.920   1.956  10.609
  175    H    GLY  26           H        GLY  26  -7.228   2.902   7.338
  176    HA2  GLY  26           HA1      GLY  26  -8.230   4.716   6.335
  177    HA3  GLY  26           HA2      GLY  26  -9.340   4.795   7.694
  178    H    GLU  27           H        GLU  27  -5.926   4.864   8.255
  179    HA   GLU  27           HA       GLU  27  -6.091   7.446   9.483
  180    HB2  GLU  27           HB2      GLU  27  -4.644   5.721  10.416
  181    HB3  GLU  27           HB3      GLU  27  -3.735   5.638   8.915
  182    HG2  GLU  27           HG2      GLU  27  -2.475   6.857  10.543
  183    HG3  GLU  27           HG3      GLU  27  -2.989   7.960   9.269
  184    H    ILE  28           H        ILE  28  -4.395   6.153   6.650
  185    HA   ILE  28           HA       ILE  28  -3.733   8.908   5.866
  186    HB   ILE  28           HB       ILE  28  -1.888   7.766   4.508
  187   HG12  ILE  28          2HG1      ILE  28  -1.226   5.598   5.973
  188   HG13  ILE  28          3HG1      ILE  28  -2.989   5.483   6.044
  189   HG21  ILE  28          2HG2      ILE  28  -0.383   7.661   6.445
  190   HG22  ILE  28          1HG2      ILE  28  -1.784   7.718   7.515
  191   HG23  ILE  28          3HG2      ILE  28  -1.417   9.091   6.470
  192   HD11  ILE  28          3HD1      ILE  28  -2.119   4.159   4.236
  193   HD12  ILE  28          2HD1      ILE  28  -1.299   5.568   3.558
  194   HD13  ILE  28          1HD1      ILE  28  -3.060   5.510   3.601
  195    H    GLY  29           H        GLY  29  -4.233   9.650   3.874
  196    HA2  GLY  29           HA1      GLY  29  -4.179   9.328   1.524
  197    HA3  GLY  29           HA2      GLY  29  -4.684   7.668   1.768
  198    H    SER  30           H        SER  30  -6.816   7.195   2.095
  199    HA   SER  30           HA       SER  30  -8.977   7.190   1.545
  200    HB2  SER  30           HB2      SER  30 -10.403   9.056   2.176
  201    HB3  SER  30           HB3      SER  30  -9.219   8.731   3.437
  202    HG   SER  30           HG       SER  30  -9.308  10.932   3.125
  203    H    THR  31           H        THR  31  -7.631  10.227   0.274
  204    HA   THR  31           HA       THR  31  -9.067   9.684  -2.242
  205    HB   THR  31           HB       THR  31  -9.964  11.620  -0.968
  206    HG1  THR  31           HG1      THR  31  -9.352  11.544  -3.517
  207   HG21  THR  31          3HG2      THR  31  -8.632  13.671  -0.775
  208   HG22  THR  31          1HG2      THR  31  -7.228  12.816  -1.416
  209   HG23  THR  31          2HG2      THR  31  -7.915  12.341   0.136
  210    H    TRP  32           H        TRP  32  -6.367   8.852  -1.422
  211    HA   TRP  32           HA       TRP  32  -4.399  10.500  -2.631
  212    HB2  TRP  32           HB2      TRP  32  -2.933   8.495  -2.451
  213    HB3  TRP  32           HB3      TRP  32  -3.738   8.919  -0.942
  214    HD1  TRP  32           HD1      TRP  32  -5.439   6.963  -3.753
  215    HE1  TRP  32           HE1      TRP  32  -6.053   4.648  -2.886
  216    HE3  TRP  32           HE3      TRP  32  -3.114   7.203   0.759
  217    HZ2  TRP  32           HZ2      TRP  32  -5.615   3.088  -0.564
  218    HZ3  TRP  32           HZ3      TRP  32  -3.256   5.251   2.260
  219    HH2  TRP  32           HH2      TRP  32  -4.476   3.236   1.613
  220    H    GLY  33           H        GLY  33  -6.826   8.784  -4.091
  221    HA2  GLY  33           HA1      GLY  33  -7.123   8.537  -6.415
  222    HA3  GLY  33           HA2      GLY  33  -5.400   8.834  -6.611
  223    H    ASN  34           H        ASN  34  -4.446   7.194  -7.505
  224    HA   ASN  34           HA       ASN  34  -5.056   4.519  -6.455
  225    HB2  ASN  34           HB2      ASN  34  -3.955   5.146  -9.211
  226    HB3  ASN  34           HB3      ASN  34  -4.375   3.557  -8.586
  227   HD21  ASN  34          1HD2      ASN  34  -5.532   6.470  -9.998
  228   HD22  ASN  34          2HD2      ASN  34  -7.173   5.975 -10.203
  229    H    ALA  35           H        ALA  35  -2.975   3.081  -7.140
  230    HA   ALA  35           HA       ALA  35  -1.081   3.855  -5.227
  231    HB1  ALA  35           HB1      ALA  35  -0.829   1.772  -7.387
  232    HB2  ALA  35           HB2      ALA  35   0.181   1.902  -5.946
  233    HB3  ALA  35           HB3      ALA  35  -1.535   1.534  -5.789
  234    H    ASN  36           H        ASN  36  -1.064   4.179  -8.741
  235    HA   ASN  36           HA       ASN  36   1.691   4.924  -8.888
  236    HB2  ASN  36           HB2      ASN  36   1.207   5.490 -11.226
  237    HB3  ASN  36           HB3      ASN  36   0.572   3.909 -10.795
  238   HD21  ASN  36          1HD2      ASN  36  -0.194   5.617 -12.977
  239   HD22  ASN  36          2HD2      ASN  36  -1.886   5.930 -12.773
  240    H    ASN  37           H        ASN  37  -1.129   6.602  -8.017
  241    HA   ASN  37           HA       ASN  37   0.079   9.228  -8.567
  242    HB2  ASN  37           HB2      ASN  37  -2.291   8.805  -9.270
  243    HB3  ASN  37           HB3      ASN  37  -2.710   8.573  -7.578
  244   HD21  ASN  37          1HD2      ASN  37  -4.092  10.253  -7.405
  245   HD22  ASN  37          2HD2      ASN  37  -3.625  11.914  -7.524
  246    H    TRP  38           H        TRP  38   0.200   6.971  -6.278
  247    HA   TRP  38           HA       TRP  38  -0.735   7.968  -3.901
  248    HB2  TRP  38           HB2      TRP  38   1.073   5.885  -4.721
  249    HB3  TRP  38           HB3      TRP  38   1.639   6.658  -3.236
  250    HD1  TRP  38           HD1      TRP  38  -2.002   5.850  -4.288
  251    HE1  TRP  38           HE1      TRP  38  -3.037   4.471  -2.419
  252    HE3  TRP  38           HE3      TRP  38   2.110   5.386  -1.319
  253    HZ2  TRP  38           HZ2      TRP  38  -2.192   3.324   0.101
  254    HZ3  TRP  38           HZ3      TRP  38   1.933   4.148   0.785
  255    HH2  TRP  38           HH2      TRP  38  -0.172   3.136   1.479
  256    H    ALA  39           H        ALA  39   2.658   8.225  -5.006
  257    HA   ALA  39           HA       ALA  39   3.544   9.623  -2.762
  258    HB1  ALA  39           HB1      ALA  39   5.130   8.542  -4.196
  259    HB2  ALA  39           HB2      ALA  39   4.675   9.574  -5.556
  260    HB3  ALA  39           HB3      ALA  39   5.496  10.266  -4.159
  261    H    ALA  40           H        ALA  40   2.199  10.822  -5.801
  262    HA   ALA  40           HA       ALA  40   2.700  13.569  -5.268
  263    HB1  ALA  40           HB1      ALA  40   2.289  12.714  -7.526
  264    HB2  ALA  40           HB2      ALA  40   0.629  12.325  -7.074
  265    HB3  ALA  40           HB3      ALA  40   1.165  14.006  -7.106
  266    H    ALA  41           H        ALA  41  -0.175  11.509  -4.873
  267    HA   ALA  41           HA       ALA  41  -1.850  13.564  -3.870
  268    HB1  ALA  41           HB1      ALA  41  -2.093  10.576  -3.482
  269    HB2  ALA  41           HB2      ALA  41  -3.369  11.766  -3.241
  270    HB3  ALA  41           HB3      ALA  41  -2.718  11.488  -4.854
  271    H    ALA  42           H        ALA  42   0.115  11.086  -2.306
  272    HA   ALA  42           HA       ALA  42  -0.681  11.471   0.343
  273    HB1  ALA  42           HB1      ALA  42   1.975  10.593  -0.779
  274    HB2  ALA  42           HB2      ALA  42   1.498  10.450   0.914
  275    HB3  ALA  42           HB3      ALA  42   0.615   9.564  -0.328
  276    H    GLN  43           H        GLN  43   2.077  12.911  -1.422
  277    HA   GLN  43           HA       GLN  43   2.969  14.517   0.721
  278    HB2  GLN  43           HB2      GLN  43   3.372  14.837  -2.256
  279    HB3  GLN  43           HB3      GLN  43   4.209  15.787  -1.037
  280    HG2  GLN  43           HG2      GLN  43   5.271  13.811  -0.161
  281    HG3  GLN  43           HG3      GLN  43   4.350  12.789  -1.265
  282   HE21  GLN  43          1HE2      GLN  43   6.173  11.940  -2.228
  283   HE22  GLN  43          2HE2      GLN  43   7.189  12.853  -3.289
  284    H    GLY  44           H        GLY  44   0.681  15.070  -1.894
  285    HA2  GLY  44           HA1      GLY  44   0.209  17.813  -1.408
  286    HA3  GLY  44           HA2      GLY  44  -0.900  16.707  -2.209
  287    H    ALA  45           H        ALA  45  -1.089  14.888   0.028
  288    HA   ALA  45           HA       ALA  45  -3.075  16.251   1.587
  289    HB1  ALA  45           HB1      ALA  45  -3.349  13.913   0.928
  290    HB2  ALA  45           HB2      ALA  45  -1.945  13.472   1.900
  291    HB3  ALA  45           HB3      ALA  45  -3.398  14.096   2.682
  292    H    GLY  46           H        GLY  46   0.291  15.693   1.882
  293    HA2  GLY  46           HA1      GLY  46   1.512  17.094   3.407
  294    HA3  GLY  46           HA2      GLY  46   0.185  16.942   4.547
  295    H    PHE  47           H        PHE  47   1.301  14.106   2.873
  296    HA   PHE  47           HA       PHE  47   2.136  12.956   5.392
  297    HB2  PHE  47           HB2      PHE  47   2.224  11.786   2.602
  298    HB3  PHE  47           HB3      PHE  47   2.567  10.906   4.083
  299    HD1  PHE  47           HD1      PHE  47   0.022  12.945   5.071
  300    HD2  PHE  47           HD2      PHE  47   0.734   9.643   2.488
  301    HE1  PHE  47           HE1      PHE  47  -2.352  12.322   5.212
  302    HE2  PHE  47           HE2      PHE  47  -1.636   9.005   2.619
  303    HZ   PHE  47           HZ       PHE  47  -3.179  10.361   3.981
  304    H    THR  48           H        THR  48   4.204  11.981   5.712
  305    HA   THR  48           HA       THR  48   6.390  13.337   4.302
  306    HB   THR  48           HB       THR  48   6.683  11.557   6.722
  307    HG1  THR  48           HG1      THR  48   5.337  13.065   7.562
  308   HG21  THR  48          3HG2      THR  48   8.292  13.895   5.682
  309   HG22  THR  48          1HG2      THR  48   8.722  12.192   5.526
  310   HG23  THR  48          2HG2      THR  48   8.665  12.945   7.120
  311    H    VAL  49           H        VAL  49   6.670  12.154   2.429
  312    HA   VAL  49           HA       VAL  49   6.823   9.246   2.771
  313    HB   VAL  49           HB       VAL  49   5.881   8.894   0.774
  314   HG11  VAL  49          2HG1      VAL  49   4.315  10.413   1.788
  315   HG12  VAL  49          1HG1      VAL  49   4.314  10.616   0.036
  316   HG13  VAL  49          3HG1      VAL  49   5.137  11.793   1.061
  317   HG21  VAL  49          3HG2      VAL  49   7.333  11.284  -0.342
  318   HG22  VAL  49          2HG2      VAL  49   6.269  10.227  -1.272
  319   HG23  VAL  49          1HG2      VAL  49   7.745   9.579  -0.559
  320    H    ASN  50           H        ASN  50   8.630   8.221   2.513
  321    HA   ASN  50           HA       ASN  50  10.800   9.468   0.981
  322    HB2  ASN  50           HB2      ASN  50  11.309   7.442   3.159
  323    HB3  ASN  50           HB3      ASN  50  12.432   8.594   2.449
  324   HD21  ASN  50          1HD2      ASN  50  10.270   7.948   4.966
  325   HD22  ASN  50          2HD2      ASN  50  10.368   9.478   5.768
  326    H    HIS  51           H        HIS  51  12.106   6.699   1.485
  327    HA   HIS  51           HA       HIS  51  10.130   4.919   0.399
  328    HB2  HIS  51           HB2      HIS  51  11.682   4.165  -1.493
  329    HB3  HIS  51           HB3      HIS  51  10.832   5.685  -1.720
  330    HD1  HIS  51           HD1      HIS  51  14.236   4.225  -1.387
  331    HD2  HIS  51           HD2      HIS  51  12.472   7.971  -1.756
  332    HE1  HIS  51           HE1      HIS  51  16.108   5.801  -1.969
  333    HE2  HIS  51           HE2      HIS  51  14.986   8.024  -2.361
  334    H    THR  52           H        THR  52  10.411   3.951   2.353
  335    HA   THR  52           HA       THR  52  12.338   1.833   2.375
  336    HB   THR  52           HB       THR  52  12.406   3.865   4.634
  337    HG1  THR  52           HG1      THR  52  13.825   3.689   2.340
  338   HG21  THR  52          3HG2      THR  52  14.190   2.463   5.568
  339   HG22  THR  52          1HG2      THR  52  13.965   1.299   4.262
  340   HG23  THR  52          2HG2      THR  52  12.677   1.568   5.437
  341    HA   PRO  53           HA       PRO  53   8.215   0.628   3.944
  342    HB2  PRO  53           HB2      PRO  53   8.799  -2.071   3.842
  343    HB3  PRO  53           HB3      PRO  53   8.126  -1.134   2.504
  344    HG2  PRO  53           HG2      PRO  53  10.969  -1.907   3.035
  345    HG3  PRO  53           HG3      PRO  53  10.074  -1.913   1.503
  346    HD2  PRO  53           HD2      PRO  53  11.788   0.049   2.073
  347    HD3  PRO  53           HD3      PRO  53  10.248   0.387   1.248
  348    H    SER  54           H        SER  54   7.463  -0.331   5.854
  349    HA   SER  54           HA       SER  54   9.288  -1.310   7.841
  350    HB2  SER  54           HB2      SER  54   8.633   0.574   9.455
  351    HB3  SER  54           HB3      SER  54   9.807   0.980   8.203
  352    HG   SER  54           HG       SER  54   8.279   2.594   8.239
  353    H    LYS  55           H        LYS  55   8.079  -1.805   9.897
  354    HA   LYS  55           HA       LYS  55   5.756  -3.253   9.179
  355    HB2  LYS  55           HB2      LYS  55   7.351  -3.897  10.990
  356    HB3  LYS  55           HB3      LYS  55   6.718  -2.575  11.963
  357    HG2  LYS  55           HG2      LYS  55   4.535  -3.596  12.002
  358    HG3  LYS  55           HG3      LYS  55   5.088  -4.882  10.927
  359    HD2  LYS  55           HD2      LYS  55   6.761  -5.517  12.656
  360    HD3  LYS  55           HD3      LYS  55   6.034  -4.323  13.734
  361    HE2  LYS  55           HE2      LYS  55   4.642  -6.708  12.522
  362    HE3  LYS  55           HE3      LYS  55   5.190  -6.568  14.190
  363    HZ1  LYS  55           HZ1      LYS  55   2.882  -6.107  14.137
  364    HZ2  LYS  55           HZ2      LYS  55   3.049  -4.999  12.866
  365    HZ3  LYS  55           HZ3      LYS  55   3.668  -4.626  14.399
  366    H    GLY  56           H        GLY  56   3.848  -2.364   8.742
  367    HA2  GLY  56           HA1      GLY  56   1.837  -1.377   9.609
  368    HA3  GLY  56           HA2      GLY  56   2.832  -0.309  10.590
  369    H    ALA  57           H        ALA  57   4.340  -0.390   7.701
  370    HA   ALA  57           HA       ALA  57   2.997   2.074   6.829
  371    HB1  ALA  57           HB1      ALA  57   5.394   2.245   7.309
  372    HB2  ALA  57           HB2      ALA  57   5.724   1.010   6.094
  373    HB3  ALA  57           HB3      ALA  57   5.048   2.567   5.609
  374    H    ILE  58           H        ILE  58   4.096   2.005   4.161
  375    HA   ILE  58           HA       ILE  58   2.673  -0.268   2.970
  376    HB   ILE  58           HB       ILE  58   2.293   2.501   1.837
  377   HG12  ILE  58          2HG1      ILE  58  -0.095   2.177   2.916
  378   HG13  ILE  58          3HG1      ILE  58   0.794   1.213   4.087
  379   HG21  ILE  58          2HG2      ILE  58   1.773   0.746   0.316
  380   HG22  ILE  58          1HG2      ILE  58   0.249   1.415   0.892
  381   HG23  ILE  58          3HG2      ILE  58   0.839  -0.117   1.538
  382   HD11  ILE  58          3HD1      ILE  58   1.351   4.092   3.414
  383   HD12  ILE  58          2HD1      ILE  58   2.187   3.126   4.629
  384   HD13  ILE  58          1HD1      ILE  58   0.477   3.514   4.832
  385    H    LEU  59           H        LEU  59   3.052  -0.156   0.465
  386    HA   LEU  59           HA       LEU  59   5.894   0.461  -0.022
  387    HB2  LEU  59           HB2      LEU  59   4.855  -1.972  -0.001
  388    HB3  LEU  59           HB3      LEU  59   4.325  -1.528  -1.610
  389    HG   LEU  59           HG       LEU  59   6.752  -1.016  -2.130
  390   HD11  LEU  59          2HD1      LEU  59   7.161  -2.559   0.430
  391   HD12  LEU  59          1HD1      LEU  59   7.554  -0.859   0.168
  392   HD13  LEU  59          3HD1      LEU  59   8.419  -2.110  -0.722
  393   HD21  LEU  59          3HD2      LEU  59   7.276  -3.391  -2.490
  394   HD22  LEU  59          2HD2      LEU  59   5.628  -2.984  -2.964
  395   HD23  LEU  59          1HD2      LEU  59   5.924  -3.831  -1.446
  396    H    GLN  60           H        GLN  60   6.346   0.875  -2.426
  397    HA   GLN  60           HA       GLN  60   4.197   1.639  -4.134
  398    HB2  GLN  60           HB2      GLN  60   3.965   3.600  -2.861
  399    HB3  GLN  60           HB3      GLN  60   5.698   3.771  -2.633
  400    HG2  GLN  60           HG2      GLN  60   4.939   5.474  -4.123
  401    HG3  GLN  60           HG3      GLN  60   5.921   4.324  -5.028
  402   HE21  GLN  60          1HE2      GLN  60   3.909   6.214  -5.941
  403   HE22  GLN  60          2HE2      GLN  60   2.704   5.291  -6.763
  404    H    SER  61           H        SER  61   4.814   1.466  -6.149
  405    HA   SER  61           HA       SER  61   7.690   1.568  -6.778
  406    HB2  SER  61           HB2      SER  61   6.886  -0.629  -7.231
  407    HB3  SER  61           HB3      SER  61   5.425  -0.016  -7.998
  408    HG   SER  61           HG       SER  61   8.066  -0.106  -8.990
  409    H    SER  62           H        SER  62   4.609   2.932  -7.400
  410    HA   SER  62           HA       SER  62   3.843   4.622  -8.686
  411    HB2  SER  62           HB2      SER  62   6.733   5.032  -9.492
  412    HB3  SER  62           HB3      SER  62   5.409   6.160  -9.790
  413    HG   SER  62           HG       SER  62   6.802   6.505  -7.850
  414    H    GLU  63           H        GLU  63   5.921   2.242 -10.134
  415    HA   GLU  63           HA       GLU  63   4.861   2.590 -12.793
  416    HB2  GLU  63           HB2      GLU  63   6.449   0.280 -11.655
  417    HB3  GLU  63           HB3      GLU  63   6.214   0.656 -13.357
  418    HG2  GLU  63           HG2      GLU  63   7.650   2.450 -11.416
  419    HG3  GLU  63           HG3      GLU  63   8.448   1.264 -12.447
  420    H    GLY  64           H        GLY  64   3.523   1.047 -13.864
  421    HA2  GLY  64           HA1      GLY  64   2.334  -1.114 -13.689
  422    HA3  GLY  64           HA2      GLY  64   1.972  -0.680 -12.024
  423    HA   PRO  65           HA       PRO  65  -1.370   0.664 -15.248
  424    HB2  PRO  65           HB2      PRO  65  -3.317  -1.014 -14.205
  425    HB3  PRO  65           HB3      PRO  65  -2.366  -1.345 -15.656
  426    HG2  PRO  65           HG2      PRO  65  -1.979  -2.325 -12.864
  427    HG3  PRO  65           HG3      PRO  65  -1.767  -3.193 -14.396
  428    HD2  PRO  65           HD2      PRO  65   0.332  -2.278 -12.999
  429    HD3  PRO  65           HD3      PRO  65   0.328  -2.257 -14.775
  430    H    PHE  66           H        PHE  66  -2.099  -0.502 -11.956
  431    HA   PHE  66           HA       PHE  66  -3.378   2.067 -11.363
  432    HB2  PHE  66           HB2      PHE  66  -3.348  -0.565  -9.871
  433    HB3  PHE  66           HB3      PHE  66  -4.082   0.902  -9.240
  434    HD1  PHE  66           HD1      PHE  66  -4.366  -1.792 -11.689
  435    HD2  PHE  66           HD2      PHE  66  -6.149   1.754 -10.151
  436    HE1  PHE  66           HE1      PHE  66  -6.470  -2.360 -12.828
  437    HE2  PHE  66           HE2      PHE  66  -8.258   1.189 -11.288
  438    HZ   PHE  66           HZ       PHE  66  -8.419  -0.868 -12.630
  439    H    GLY  67           H        GLY  67  -0.408   0.705 -11.222
  440    HA2  GLY  67           HA1      GLY  67   1.471   1.731 -10.149
  441    HA3  GLY  67           HA2      GLY  67   0.396   2.254  -8.856
  442    H    HIS  68           H        HIS  68   1.950   1.294  -7.367
  443    HA   HIS  68           HA       HIS  68   1.274  -1.488  -6.836
  444    HB2  HIS  68           HB2      HIS  68   4.080  -0.541  -7.383
  445    HB3  HIS  68           HB3      HIS  68   3.781  -1.886  -6.295
  446    HD1  HIS  68           HD1      HIS  68   3.883  -1.003  -9.908
  447    HD2  HIS  68           HD2      HIS  68   2.799  -4.239  -7.525
  448    HE1  HIS  68           HE1      HIS  68   3.787  -2.986 -11.453
  449    HE2  HIS  68           HE2      HIS  68   3.173  -4.945  -9.989
  450    H    VAL  69           H        VAL  69   0.157  -0.338  -4.991
  451    HA   VAL  69           HA       VAL  69   2.175   0.124  -2.914
  452    HB   VAL  69           HB       VAL  69   0.512   1.423  -1.676
  453   HG11  VAL  69          2HG1      VAL  69   0.513   3.373  -3.190
  454   HG12  VAL  69          1HG1      VAL  69   1.010   2.315  -4.512
  455   HG13  VAL  69          3HG1      VAL  69   2.074   2.554  -3.126
  456   HG21  VAL  69          3HG2      VAL  69  -1.531   0.377  -2.571
  457   HG22  VAL  69          2HG2      VAL  69  -1.220   1.134  -4.134
  458   HG23  VAL  69          1HG2      VAL  69  -1.565   2.133  -2.723
  459    H    ALA  70           H        ALA  70   2.472  -1.592  -1.795
  460    HA   ALA  70           HA       ALA  70   0.165  -3.234  -1.012
  461    HB1  ALA  70           HB1      ALA  70   3.083  -4.000  -1.089
  462    HB2  ALA  70           HB2      ALA  70   1.734  -5.055  -0.661
  463    HB3  ALA  70           HB3      ALA  70   1.879  -4.429  -2.305
  464    H    TYR  71           H        TYR  71  -0.284  -3.432   1.126
  465    HA   TYR  71           HA       TYR  71   0.956  -1.564   2.886
  466    HB2  TYR  71           HB2      TYR  71  -1.341  -1.896   3.255
  467    HB3  TYR  71           HB3      TYR  71  -1.184  -3.656   3.210
  468    HD1  TYR  71           HD1      TYR  71  -0.677  -0.644   5.263
  469    HD2  TYR  71           HD2      TYR  71  -0.534  -4.898   5.149
  470    HE1  TYR  71           HE1      TYR  71  -0.513  -0.694   7.717
  471    HE2  TYR  71           HE2      TYR  71  -0.377  -4.956   7.605
  472    HH   TYR  71           HH       TYR  71   0.152  -3.650   9.450
  473    H    VAL  72           H        VAL  72   2.580  -1.858   4.267
  474    HA   VAL  72           HA       VAL  72   4.045  -4.342   4.104
  475    HB   VAL  72           HB       VAL  72   4.732  -1.901   5.740
  476   HG11  VAL  72          2HG1      VAL  72   5.958  -3.911   6.355
  477   HG12  VAL  72          1HG1      VAL  72   7.024  -2.748   5.569
  478   HG13  VAL  72          3HG1      VAL  72   6.437  -4.151   4.675
  479   HG21  VAL  72          3HG2      VAL  72   4.419  -1.260   3.400
  480   HG22  VAL  72          2HG2      VAL  72   5.542  -2.527   2.902
  481   HG23  VAL  72          1HG2      VAL  72   6.118  -1.168   3.873
  482    H    GLU  73           H        GLU  73   3.392  -5.951   5.344
  483    HA   GLU  73           HA       GLU  73   1.983  -5.616   7.796
  484    HB2  GLU  73           HB2      GLU  73   3.266  -8.012   6.476
  485    HB3  GLU  73           HB3      GLU  73   2.353  -8.115   7.975
  486    HG2  GLU  73           HG2      GLU  73   1.125  -6.891   5.542
  487    HG3  GLU  73           HG3      GLU  73   1.188  -8.640   5.724
  488    H    SER  74           H        SER  74   5.320  -5.978   6.887
  489    HA   SER  74           HA       SER  74   6.430  -5.198   9.291
  490    HB2  SER  74           HB2      SER  74   5.415  -7.317  10.168
  491    HB3  SER  74           HB3      SER  74   6.423  -8.219   9.039
  492    HG   SER  74           HG       SER  74   7.426  -8.142  11.050
  493    H    VAL  75           H        VAL  75   8.751  -5.460   9.329
  494    HA   VAL  75           HA       VAL  75   9.878  -6.349   6.768
  495    HB   VAL  75           HB       VAL  75  10.257  -3.972   7.027
  496   HG11  VAL  75          2HG1      VAL  75  10.033  -3.774   9.437
  497   HG12  VAL  75          1HG1      VAL  75  11.537  -3.037   8.889
  498   HG13  VAL  75          3HG1      VAL  75  11.563  -4.621   9.665
  499   HG21  VAL  75          3HG2      VAL  75  12.710  -3.913   6.900
  500   HG22  VAL  75          2HG2      VAL  75  12.038  -5.264   5.989
  501   HG23  VAL  75          1HG2      VAL  75  12.775  -5.546   7.566
  502    H    ASN  76           H        ASN  76  11.131  -8.080   6.863
  503    HA   ASN  76           HA       ASN  76  11.354  -9.438   9.361
  504    HB2  ASN  76           HB2      ASN  76  12.393 -10.194   6.625
  505    HB3  ASN  76           HB3      ASN  76  12.409 -11.250   8.033
  506   HD21  ASN  76          1HD2      ASN  76  10.452  -9.748   5.597
  507   HD22  ASN  76          2HD2      ASN  76   9.006 -10.661   5.892
  508    H    SER  77           H        SER  77  13.331 -10.334  10.214
  509    HA   SER  77           HA       SER  77  15.298  -8.352  10.593
  510    HB2  SER  77           HB2      SER  77  16.471 -10.385  11.744
  511    HB3  SER  77           HB3      SER  77  14.977  -9.739  12.421
  512    HG   SER  77           HG       SER  77  15.481 -12.184  11.269
  513    H    ASP  78           H        ASP  78  14.936 -10.679   8.157
  514    HA   ASP  78           HA       ASP  78  17.760 -10.888   7.535
  515    HB2  ASP  78           HB2      ASP  78  15.275 -11.941   6.187
  516    HB3  ASP  78           HB3      ASP  78  16.879 -12.122   5.488
  517    H    GLY  79           H        GLY  79  15.515  -8.532   7.135
  518    HA2  GLY  79           HA1      GLY  79  15.972  -6.510   5.986
  519    HA3  GLY  79           HA2      GLY  79  16.992  -7.405   4.866
  520    H    SER  80           H        SER  80  14.727  -9.464   4.796
  521    HA   SER  80           HA       SER  80  13.437  -8.428   2.477
  522    HB2  SER  80           HB2      SER  80  12.699 -10.902   4.053
  523    HB3  SER  80           HB3      SER  80  12.330 -10.560   2.362
  524    HG   SER  80           HG       SER  80  14.166 -11.988   2.718
  525    H    VAL  81           H        VAL  81  11.335  -7.788   2.216
  526    HA   VAL  81           HA       VAL  81   9.989  -7.016   4.718
  527    HB   VAL  81           HB       VAL  81   9.846  -5.731   1.983
  528   HG11  VAL  81          2HG1      VAL  81   8.540  -4.934   4.580
  529   HG12  VAL  81          1HG1      VAL  81   7.724  -5.509   3.125
  530   HG13  VAL  81          3HG1      VAL  81   8.564  -3.958   3.111
  531   HG21  VAL  81          3HG2      VAL  81  11.967  -5.336   3.093
  532   HG22  VAL  81          2HG2      VAL  81  11.128  -4.823   4.557
  533   HG23  VAL  81          1HG2      VAL  81  11.005  -3.856   3.085
  534    H    THR  82           H        THR  82   8.049  -7.799   5.154
  535    HA   THR  82           HA       THR  82   6.709  -9.465   3.174
  536    HB   THR  82           HB       THR  82   6.233  -9.083   6.139
  537    HG1  THR  82           HG1      THR  82   6.782 -11.602   5.339
  538   HG21  THR  82          3HG2      THR  82   4.837 -10.961   4.220
  539   HG22  THR  82          1HG2      THR  82   4.113  -9.550   4.990
  540   HG23  THR  82          2HG2      THR  82   4.624 -10.923   5.971
  541    H    ILE  83           H        ILE  83   5.281  -8.505   1.891
  542    HA   ILE  83           HA       ILE  83   3.716  -6.258   2.974
  543    HB   ILE  83           HB       ILE  83   3.430  -5.516   0.620
  544   HG12  ILE  83          2HG1      ILE  83   5.561  -7.573   0.007
  545   HG13  ILE  83          3HG1      ILE  83   3.861  -7.738  -0.414
  546   HG21  ILE  83          2HG2      ILE  83   5.123  -4.503   2.049
  547   HG22  ILE  83          1HG2      ILE  83   5.660  -4.568   0.369
  548   HG23  ILE  83          3HG2      ILE  83   6.292  -5.724   1.543
  549   HD11  ILE  83          3HD1      ILE  83   4.031  -5.752  -1.834
  550   HD12  ILE  83          2HD1      ILE  83   5.153  -7.021  -2.327
  551   HD13  ILE  83          1HD1      ILE  83   5.745  -5.621  -1.431
  552    H    SER  84           H        SER  84   1.522  -6.098   2.381
  553    HA   SER  84           HA       SER  84   0.332  -8.526   1.236
  554    HB2  SER  84           HB2      SER  84   0.182  -8.518   3.747
  555    HB3  SER  84           HB3      SER  84  -0.765  -7.036   3.636
  556    HG   SER  84           HG       SER  84  -1.503  -9.637   3.186
  557    H    GLU  85           H        GLU  85  -0.597  -7.903  -0.574
  558    HA   GLU  85           HA       GLU  85  -2.350  -5.553  -0.523
  559    HB2  GLU  85           HB2      GLU  85  -1.722  -5.009  -2.829
  560    HB3  GLU  85           HB3      GLU  85  -0.335  -4.933  -1.757
  561    HG2  GLU  85           HG2      GLU  85   0.333  -7.186  -2.545
  562    HG3  GLU  85           HG3      GLU  85  -0.991  -7.125  -3.705
  563    H    MET  86           H        MET  86  -4.358  -5.918  -1.298
  564    HA   MET  86           HA       MET  86  -4.986  -8.665  -2.023
  565    HB2  MET  86           HB2      MET  86  -6.241  -7.379  -0.232
  566    HB3  MET  86           HB3      MET  86  -6.912  -6.390  -1.522
  567    HG2  MET  86           HG2      MET  86  -8.584  -7.900  -1.326
  568    HG3  MET  86           HG3      MET  86  -7.576  -8.758  -2.487
  569    HE1  MET  86           HE1      MET  86  -7.166  -8.236   1.421
  570    HE2  MET  86           HE2      MET  86  -8.879  -8.576   1.178
  571    HE3  MET  86           HE3      MET  86  -7.857  -9.751   2.006
  572    H    ASN  87           H        ASN  87  -5.640  -9.294  -3.999
  573    HA   ASN  87           HA       ASN  87  -6.484  -9.312  -6.099
  574    HB2  ASN  87           HB2      ASN  87  -8.323  -7.947  -5.270
  575    HB3  ASN  87           HB3      ASN  87  -7.372  -6.485  -5.490
  576   HD21  ASN  87          1HD2      ASN  87  -7.102  -5.658  -7.561
  577   HD22  ASN  87          2HD2      ASN  87  -8.022  -6.206  -8.918
  578    H    TYR  88           H        TYR  88  -5.186  -6.004  -5.661
  579    HA   TYR  88           HA       TYR  88  -3.819  -4.736  -6.944
  580    HB2  TYR  88           HB2      TYR  88  -2.097  -6.392  -6.570
  581    HB3  TYR  88           HB3      TYR  88  -2.747  -7.422  -7.839
  582    HD1  TYR  88           HD2      TYR  88  -1.878  -3.786  -7.680
  583    HD2  TYR  88           HD1      TYR  88  -1.281  -7.521  -9.624
  584    HE1  TYR  88           HE2      TYR  88  -0.422  -2.692  -9.327
  585    HE2  TYR  88           HE1      TYR  88   0.175  -6.432 -11.279
  586    HH   TYR  88           HH       TYR  88   0.718  -4.346 -12.171
  587    H    SER  89           H        SER  89  -4.051  -7.349  -9.293
  588    HA   SER  89           HA       SER  89  -6.045  -6.013 -10.870
  589    HB2  SER  89           HB2      SER  89  -3.206  -6.189 -11.922
  590    HB3  SER  89           HB3      SER  89  -4.614  -5.708 -12.866
  591    HG   SER  89           HG       SER  89  -4.497  -4.239 -10.626
  592    H    GLY  90           H        GLY  90  -7.100  -7.995 -10.625
  593    HA2  GLY  90           HA1      GLY  90  -7.116  -9.770 -12.631
  594    HA3  GLY  90           HA2      GLY  90  -5.796 -10.389 -11.652
  595    H    GLY  91           H        GLY  91  -6.219 -11.431  -9.742
  596    HA2  GLY  91           HA1      GLY  91  -8.833 -12.607  -9.581
  597    HA3  GLY  91           HA2      GLY  91  -7.459 -12.955  -8.540
  598    HA   PRO  92           HA       PRO  92 -10.429  -9.379  -6.922
  599    HB2  PRO  92           HB2      PRO  92 -12.687 -11.283  -6.694
  600    HB3  PRO  92           HB3      PRO  92 -12.683  -9.585  -7.190
  601    HG2  PRO  92           HG2      PRO  92 -13.031 -11.513  -8.992
  602    HG3  PRO  92           HG3      PRO  92 -12.045 -10.081  -9.364
  603    HD2  PRO  92           HD2      PRO  92 -11.155 -12.840  -8.588
  604    HD3  PRO  92           HD3      PRO  92 -10.518 -11.766  -9.854
  605    H    PHE  93           H        PHE  93  -9.742  -9.186  -4.947
  606    HA   PHE  93           HA       PHE  93  -9.219  -9.539  -2.786
  607    HB2  PHE  93           HB2      PHE  93 -11.270 -11.747  -2.952
  608    HB3  PHE  93           HB3      PHE  93 -10.485 -11.202  -1.471
  609    HD1  PHE  93           HD2      PHE  93 -10.867  -8.845  -0.694
  610    HD2  PHE  93           HD1      PHE  93 -13.138 -10.615  -3.830
  611    HE1  PHE  93           HE2      PHE  93 -12.599  -7.123  -0.406
  612    HE2  PHE  93           HE1      PHE  93 -14.874  -8.892  -3.547
  613    HZ   PHE  93           HZ       PHE  93 -14.605  -7.144  -1.832
  614    H    SER  94           H        SER  94  -8.056 -11.290  -5.114
  615    HA   SER  94           HA       SER  94  -6.828 -13.368  -3.552
  616    HB2  SER  94           HB2      SER  94  -6.028 -12.196  -6.230
  617    HB3  SER  94           HB3      SER  94  -5.262 -13.595  -5.469
  618    HG   SER  94           HG       SER  94  -7.080 -14.773  -5.778
  619    H    VAL  95           H        VAL  95  -6.196 -12.120  -1.743
  620    HA   VAL  95           HA       VAL  95  -4.429  -9.989  -1.802
  621    HB   VAL  95           HB       VAL  95  -5.388 -10.456   0.292
  622   HG11  VAL  95          2HG1      VAL  95  -4.253 -13.236   0.078
  623   HG12  VAL  95          1HG1      VAL  95  -5.953 -12.765  -0.020
  624   HG13  VAL  95          3HG1      VAL  95  -5.071 -12.583   1.498
  625   HG21  VAL  95          3HG2      VAL  95  -3.128  -9.651   0.532
  626   HG22  VAL  95          2HG2      VAL  95  -2.491 -11.293   0.423
  627   HG23  VAL  95          1HG2      VAL  95  -3.468 -10.813   1.812
  628    H    SER  96           H        SER  96  -2.574  -9.915  -2.848
  629    HA   SER  96           HA       SER  96  -1.292 -12.369  -3.657
  630    HB2  SER  96           HB2      SER  96  -0.561  -9.509  -4.334
  631    HB3  SER  96           HB3      SER  96  -0.019 -10.965  -5.172
  632    HG   SER  96           HG       SER  96  -2.772 -10.473  -4.896
  633    H    SER  97           H        SER  97  -0.124 -13.279  -2.126
  634    HA   SER  97           HA       SER  97   1.405 -11.866  -0.193
  635    HB2  SER  97           HB2      SER  97   1.830 -14.726  -1.080
  636    HB3  SER  97           HB3      SER  97   2.214 -14.016   0.489
  637    HG   SER  97           HG       SER  97  -0.309 -14.643  -0.617
  638    H    ARG  98           H        ARG  98   3.160 -10.701  -0.628
  639    HA   ARG  98           HA       ARG  98   5.067 -11.736  -2.620
  640    HB2  ARG  98           HB2      ARG  98   4.242  -8.861  -2.174
  641    HB3  ARG  98           HB3      ARG  98   5.605  -9.353  -3.166
  642    HG2  ARG  98           HG2      ARG  98   4.105 -10.536  -4.672
  643    HG3  ARG  98           HG3      ARG  98   2.727 -10.099  -3.661
  644    HD2  ARG  98           HD2      ARG  98   2.908  -8.629  -5.605
  645    HD3  ARG  98           HD3      ARG  98   3.135  -7.736  -4.102
  646    HE   ARG  98           HE       ARG  98   5.522  -8.660  -5.524
  647   HH11  ARG  98          2HH1      ARG  98   3.378  -6.023  -4.635
  648   HH12  ARG  98          1HH1      ARG  98   4.536  -4.793  -5.052
  649   HH21  ARG  98          2HH2      ARG  98   7.038  -7.034  -6.085
  650   HH22  ARG  98          1HH2      ARG  98   6.626  -5.361  -5.867
  651    H    THR  99           H        THR  99   7.283 -11.031  -2.293
  652    HA   THR  99           HA       THR  99   7.883 -10.201   0.459
  653    HB   THR  99           HB       THR  99   9.407 -12.357  -1.015
  654    HG1  THR  99           HG1      THR  99   7.064 -12.489   0.383
  655   HG21  THR  99          3HG2      THR  99  10.363 -12.804   1.215
  656   HG22  THR  99          1HG2      THR  99   9.454 -11.441   1.867
  657   HG23  THR  99          2HG2      THR  99  10.715 -11.166   0.664
  658    H    ILE 100           H        ILE 100   9.089  -8.418   0.413
  659    HA   ILE 100           HA       ILE 100  10.436  -7.702  -2.088
  660    HB   ILE 100           HB       ILE 100   9.885  -6.005   0.353
  661   HG12  ILE 100          2HG1      ILE 100   7.802  -6.579  -0.745
  662   HG13  ILE 100          3HG1      ILE 100   8.198  -4.891  -1.088
  663   HG21  ILE 100          2HG2      ILE 100  11.833  -5.239  -0.890
  664   HG22  ILE 100          1HG2      ILE 100  10.492  -4.109  -1.062
  665   HG23  ILE 100          3HG2      ILE 100  10.888  -5.214  -2.379
  666   HD11  ILE 100          3HD1      ILE 100   9.011  -5.536  -3.295
  667   HD12  ILE 100          2HD1      ILE 100   7.336  -6.036  -3.058
  668   HD13  ILE 100          1HD1      ILE 100   8.637  -7.224  -2.949
  669    H    SER 101           H        SER 101  12.549  -8.125  -2.265
  670    HA   SER 101           HA       SER 101  14.260  -8.483   0.005
  671    HB2  SER 101           HB2      SER 101  14.693  -9.618  -2.144
  672    HB3  SER 101           HB3      SER 101  14.954  -8.055  -2.916
  673    HG   SER 101           HG       SER 101  16.585  -9.488  -1.166
  674    H    ALA 102           H        ALA 102  15.948  -7.071   0.697
  675    HA   ALA 102           HA       ALA 102  15.296  -4.409   1.004
  676    HB1  ALA 102           HB1      ALA 102  18.084  -5.557   1.043
  677    HB2  ALA 102           HB2      ALA 102  17.547  -4.065   1.814
  678    HB3  ALA 102           HB3      ALA 102  16.938  -5.620   2.382
  679    H    SER 103           H        SER 103  17.177  -5.920  -1.554
  680    HA   SER 103           HA       SER 103  18.307  -3.664  -2.728
  681    HB2  SER 103           HB2      SER 103  17.304  -6.173  -4.099
  682    HB3  SER 103           HB3      SER 103  18.469  -5.028  -4.764
  683    HG   SER 103           HG       SER 103  19.815  -6.411  -3.869
  684    H    GLU 104           H        GLU 104  15.104  -5.119  -3.244
  685    HA   GLU 104           HA       GLU 104  14.376  -3.064  -5.144
  686    HB2  GLU 104           HB2      GLU 104  12.946  -5.432  -3.978
  687    HB3  GLU 104           HB3      GLU 104  12.057  -4.197  -4.853
  688    HG2  GLU 104           HG2      GLU 104  12.546  -5.965  -6.361
  689    HG3  GLU 104           HG3      GLU 104  13.540  -4.579  -6.803
  690    H    ALA 105           H        ALA 105  13.891  -3.797  -1.760
  691    HA   ALA 105           HA       ALA 105  11.846  -1.984  -1.163
  692    HB1  ALA 105           HB1      ALA 105  14.152  -2.829   0.591
  693    HB2  ALA 105           HB2      ALA 105  12.660  -2.062   1.142
  694    HB3  ALA 105           HB3      ALA 105  12.612  -3.671   0.421
  695    H    GLY 106           H        GLY 106  15.184  -1.491  -1.878
  696    HA2  GLY 106           HA1      GLY 106  15.569   1.071  -0.811
  697    HA3  GLY 106           HA2      GLY 106  16.418   0.406  -2.194
  698    H    ASN 107           H        ASN 107  13.859   0.096  -3.746
  699    HA   ASN 107           HA       ASN 107  13.752   2.926  -4.550
  700    HB2  ASN 107           HB2      ASN 107  13.125   2.228  -6.749
  701    HB3  ASN 107           HB3      ASN 107  14.482   1.227  -6.253
  702   HD21  ASN 107          1HD2      ASN 107  11.001   1.288  -6.712
  703   HD22  ASN 107          2HD2      ASN 107  10.798  -0.423  -6.864
  704    H    TYR 108           H        TYR 108  11.929   0.768  -2.828
  705    HA   TYR 108           HA       TYR 108   9.353   1.542  -3.898
  706    HB2  TYR 108           HB2      TYR 108  10.254  -0.321  -1.747
  707    HB3  TYR 108           HB3      TYR 108   8.582   0.210  -1.789
  708    HD1  TYR 108           HD1      TYR 108   7.515   0.026  -4.264
  709    HD2  TYR 108           HD2      TYR 108  10.706  -2.352  -2.767
  710    HE1  TYR 108           HE1      TYR 108   6.938  -1.743  -5.866
  711    HE2  TYR 108           HE2      TYR 108  10.144  -4.125  -4.378
  712    HH   TYR 108           HH       TYR 108   8.132  -3.670  -7.006
  713    H    ASN 109           H        ASN 109   8.337   3.294  -3.346
  714    HA   ASN 109           HA       ASN 109   9.179   4.925  -1.119
  715    HB2  ASN 109           HB2      ASN 109   6.917   5.276  -3.110
  716    HB3  ASN 109           HB3      ASN 109   7.296   6.448  -1.852
  717   HD21  ASN 109          1HD2      ASN 109   7.697   8.044  -3.339
  718   HD22  ASN 109          2HD2      ASN 109   9.117   8.076  -4.324
  719    H    TYR 110           H        TYR 110   7.520   5.799   0.411
  720    HA   TYR 110           HA       TYR 110   5.165   4.197   0.840
  721    HB2  TYR 110           HB2      TYR 110   5.663   3.449   3.049
  722    HB3  TYR 110           HB3      TYR 110   7.011   2.960   2.035
  723    HD1  TYR 110           HD2      TYR 110   8.446   5.653   1.967
  724    HD2  TYR 110           HD1      TYR 110   6.690   3.438   5.137
  725    HE1  TYR 110           HE2      TYR 110   9.973   6.733   3.558
  726    HE2  TYR 110           HE1      TYR 110   8.214   4.514   6.735
  727    HH   TYR 110           HH       TYR 110  10.459   5.618   6.681
  728    H    ILE 111           H        ILE 111   3.670   5.258   2.355
  729    HA   ILE 111           HA       ILE 111   4.426   8.071   2.687
  730    HB   ILE 111           HB       ILE 111   2.199   8.778   2.110
  731   HG12  ILE 111          2HG1      ILE 111   1.557   5.877   1.542
  732   HG13  ILE 111          3HG1      ILE 111   1.019   6.740   2.976
  733   HG21  ILE 111          2HG2      ILE 111   3.814   8.498   0.295
  734   HG22  ILE 111          1HG2      ILE 111   2.180   8.148  -0.268
  735   HG23  ILE 111          3HG2      ILE 111   3.296   6.826   0.076
  736   HD11  ILE 111          3HD1      ILE 111  -0.222   8.300   1.543
  737   HD12  ILE 111          2HD1      ILE 111  -0.746   6.630   1.324
  738   HD13  ILE 111          1HD1      ILE 111   0.300   7.391   0.123
  739    H    HIS 112           H        HIS 112   4.470   8.663   4.711
  740    HA   HIS 112           HA       HIS 112   2.429   7.616   6.526
  741    HB2  HIS 112           HB2      HIS 112   4.015   7.184   8.287
  742    HB3  HIS 112           HB3      HIS 112   4.546   6.307   6.859
  743    HD1  HIS 112           HD1      HIS 112   5.441   9.248   9.033
  744    HD2  HIS 112           HD2      HIS 112   7.056   7.074   5.843
  745    HE1  HIS 112           HE1      HIS 112   7.845   9.959   8.871
  746    HE2  HIS 112           HE2      HIS 112   8.845   8.478   7.098
  747    H    ILE 113           H        ILE 113   1.888   9.058   8.221
  748    HA   ILE 113           HA       ILE 113   2.150  11.776   7.668
  749    HB   ILE 113           HB       ILE 113   1.317  12.096  10.004
  750   HG12  ILE 113          2HG1      ILE 113   2.317   9.901  10.852
  751   HG13  ILE 113          3HG1      ILE 113   0.706  10.320  11.412
  752   HG21  ILE 113          2HG2      ILE 113  -0.918  11.238   9.538
  753   HG22  ILE 113          1HG2      ILE 113  -0.248  10.237   8.251
  754   HG23  ILE 113          3HG2      ILE 113  -0.185  11.995   8.123
  755   HD11  ILE 113          3HD1      ILE 113  -0.262   8.768   9.799
  756   HD12  ILE 113          2HD1      ILE 113   0.882   7.959  10.870
  757   HD13  ILE 113          1HD1      ILE 113   1.353   8.362   9.219
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1 -11.183  10.075  20.548
    2    H2   GLY   1           H2       GLY   1 -10.453  11.441  21.234
    3    H3   GLY   1           H3       GLY   1 -10.394  11.203  19.556
    4    HA2  GLY   1           HA2      GLY   1 -12.877  11.654  21.119
    5    HA3  GLY   1           HA1      GLY   1 -12.028  12.900  20.215
    6    H    SER   2           H        SER   2 -12.642   9.510  19.359
    7    HA   SER   2           HA       SER   2 -14.567  10.315  17.339
    8    HB2  SER   2           HB2      SER   2 -12.337  10.568  16.230
    9    HB3  SER   2           HB3      SER   2 -12.018   8.865  16.557
   10    HG   SER   2           HG       SER   2 -13.247   9.880  14.469
   11    H    SER   3           H        SER   3 -15.549   8.370  16.290
   12    HA   SER   3           HA       SER   3 -15.348   6.027  18.058
   13    HB2  SER   3           HB2      SER   3 -17.441   7.340  18.433
   14    HB3  SER   3           HB3      SER   3 -17.881   7.059  16.752
   15    HG   SER   3           HG       SER   3 -17.938   5.336  18.929
   16    H    ILE   4           H        ILE   4 -13.849   5.127  16.569
   17    HA   ILE   4           HA       ILE   4 -14.945   4.383  13.953
   18    HB   ILE   4           HB       ILE   4 -12.165   3.940  15.064
   19   HG12  ILE   4          2HG1      ILE   4 -13.166   5.960  13.041
   20   HG13  ILE   4          3HG1      ILE   4 -12.705   6.326  14.700
   21   HG21  ILE   4          2HG2      ILE   4 -12.756   2.264  13.410
   22   HG22  ILE   4          1HG2      ILE   4 -11.569   3.385  12.743
   23   HG23  ILE   4          3HG2      ILE   4 -13.266   3.525  12.285
   24   HD11  ILE   4          3HD1      ILE   4 -10.882   5.270  12.552
   25   HD12  ILE   4          2HD1      ILE   4 -10.417   5.634  14.213
   26   HD13  ILE   4          1HD1      ILE   4 -10.947   6.930  13.142
   27    H    SER   5           H        SER   5 -16.113   2.595  13.915
   28    HA   SER   5           HA       SER   5 -15.174   0.246  15.388
   29    HB2  SER   5           HB2      SER   5 -17.609  -0.191  16.026
   30    HB3  SER   5           HB3      SER   5 -16.802   1.108  16.903
   31    HG   SER   5           HG       SER   5 -18.156   2.490  16.072
   32    H    HIS   6           H        HIS   6 -17.891   1.318  13.375
   33    HA   HIS   6           HA       HIS   6 -17.081  -0.683  11.379
   34    HB2  HIS   6           HB2      HIS   6 -19.196  -1.345  12.520
   35    HB3  HIS   6           HB3      HIS   6 -19.924   0.170  11.999
   36    HD1  HIS   6           HD1      HIS   6 -21.168   0.071   9.858
   37    HD2  HIS   6           HD2      HIS   6 -18.395  -3.016  10.204
   38    HE1  HIS   6           HE1      HIS   6 -21.511  -1.388   7.831
   39    HE2  HIS   6           HE2      HIS   6 -19.780  -3.216   8.024
   40    H    SER   7           H        SER   7 -15.845   0.895  10.344
   41    HA   SER   7           HA       SER   7 -17.454   2.790   8.786
   42    HB2  SER   7           HB2      SER   7 -14.770   3.409  10.039
   43    HB3  SER   7           HB3      SER   7 -15.708   4.496   9.013
   44    HG   SER   7           HG       SER   7 -17.312   3.679  10.939
   45    H    GLY   8           H        GLY   8 -17.387   1.608   6.924
   46    HA2  GLY   8           HA1      GLY   8 -15.076   0.163   6.090
   47    HA3  GLY   8           HA2      GLY   8 -16.556   0.385   5.173
   48    H    ASN   9           H        ASN   9 -14.294   0.348   3.831
   49    HA   ASN   9           HA       ASN   9 -13.143   2.963   3.470
   50    HB2  ASN   9           HB2      ASN   9 -11.905   0.789   3.166
   51    HB3  ASN   9           HB3      ASN   9 -12.868   0.504   1.723
   52   HD21  ASN   9          1HD2      ASN   9 -10.055   0.631   1.835
   53   HD22  ASN   9          2HD2      ASN   9  -9.551   1.966   0.857
   54    H    LEU  10           H        LEU  10 -13.440   4.328   1.740
   55    HA   LEU  10           HA       LEU  10 -15.993   4.390   0.492
   56    HB2  LEU  10           HB2      LEU  10 -13.516   5.916  -0.294
   57    HB3  LEU  10           HB3      LEU  10 -15.176   6.362  -0.629
   58    HG   LEU  10           HG       LEU  10 -13.866   6.331   2.092
   59   HD11  LEU  10          2HD1      LEU  10 -14.134   8.753   1.993
   60   HD12  LEU  10          1HD1      LEU  10 -14.788   8.619   0.361
   61   HD13  LEU  10          3HD1      LEU  10 -13.113   8.167   0.678
   62   HD21  LEU  10          3HD2      LEU  10 -16.222   5.724   2.238
   63   HD22  LEU  10          2HD2      LEU  10 -16.657   7.140   1.282
   64   HD23  LEU  10          1HD2      LEU  10 -15.950   7.342   2.887
   65    H    TYR  11           H        TYR  11 -12.980   2.972  -0.299
   66    HA   TYR  11           HA       TYR  11 -13.095   3.090  -3.121
   67    HB2  TYR  11           HB2      TYR  11 -11.273   2.216  -1.178
   68    HB3  TYR  11           HB3      TYR  11 -11.623   0.802  -2.166
   69    HD1  TYR  11           HD2      TYR  11 -11.076   0.797  -4.568
   70    HD2  TYR  11           HD1      TYR  11 -10.069   4.085  -2.065
   71    HE1  TYR  11           HE2      TYR  11  -9.510   1.608  -6.280
   72    HE2  TYR  11           HE1      TYR  11  -8.494   4.904  -3.764
   73    HH   TYR  11           HH       TYR  11  -8.433   3.799  -6.932
   74    H    THR  12           H        THR  12 -12.693   0.702  -4.156
   75    HA   THR  12           HA       THR  12 -15.320  -0.192  -4.607
   76    HB   THR  12           HB       THR  12 -12.787  -1.619  -5.412
   77    HG1  THR  12           HG1      THR  12 -12.909  -0.199  -7.285
   78   HG21  THR  12          3HG2      THR  12 -15.458  -1.366  -6.803
   79   HG22  THR  12          1HG2      THR  12 -14.912  -2.778  -5.899
   80   HG23  THR  12          2HG2      THR  12 -14.062  -2.289  -7.366
   81    H    ALA  13           H        ALA  13 -12.839  -2.609  -4.116
   82    HA   ALA  13           HA       ALA  13 -13.652  -3.674  -1.666
   83    HB1  ALA  13           HB1      ALA  13 -15.764  -4.136  -2.850
   84    HB2  ALA  13           HB2      ALA  13 -14.866  -5.067  -4.051
   85    HB3  ALA  13           HB3      ALA  13 -14.932  -5.620  -2.378
   86    H    GLY  14           H        GLY  14 -11.925  -4.789  -1.042
   87    HA2  GLY  14           HA1      GLY  14 -10.232  -6.341  -1.055
   88    HA3  GLY  14           HA2      GLY  14 -10.832  -6.903  -2.606
   89    H    GLN  15           H        GLN  15 -10.345  -3.705  -3.056
   90    HA   GLN  15           HA       GLN  15  -8.220  -4.159  -4.860
   91    HB2  GLN  15           HB2      GLN  15  -9.344  -1.582  -3.753
   92    HB3  GLN  15           HB3      GLN  15  -8.207  -1.673  -5.091
   93    HG2  GLN  15           HG2      GLN  15 -10.790  -3.162  -5.201
   94    HG3  GLN  15           HG3      GLN  15 -10.729  -1.440  -5.566
   95   HE21  GLN  15          1HE2      GLN  15  -9.541  -4.606  -6.537
   96   HE22  GLN  15          2HE2      GLN  15  -9.213  -4.161  -8.170
   97    H    CYS  16           H        CYS  16  -6.113  -3.103  -4.872
   98    HA   CYS  16           HA       CYS  16  -4.592  -3.584  -2.577
   99    HB2  CYS  16           HB2      CYS  16  -2.827  -2.226  -3.749
  100    HB3  CYS  16           HB3      CYS  16  -3.502  -3.541  -4.706
  101    HG   CYS  16           HG       CYS  16  -3.343  -1.712  -6.616
  102    H    THR  17           H        THR  17  -5.803  -0.527  -3.919
  103    HA   THR  17           HA       THR  17  -4.801   1.004  -1.690
  104    HB   THR  17           HB       THR  17  -6.158   2.863  -2.828
  105    HG1  THR  17           HG1      THR  17  -6.871   2.359  -4.929
  106   HG21  THR  17          3HG2      THR  17  -3.761   2.646  -3.140
  107   HG22  THR  17          1HG2      THR  17  -4.531   3.071  -4.668
  108   HG23  THR  17          2HG2      THR  17  -4.008   1.412  -4.375
  109    H    TRP  18           H        TRP  18  -7.340  -1.033  -2.017
  110    HA   TRP  18           HA       TRP  18  -9.171   0.418  -0.266
  111    HB2  TRP  18           HB2      TRP  18 -10.120  -0.837  -2.152
  112    HB3  TRP  18           HB3      TRP  18  -9.360  -2.310  -1.570
  113    HD1  TRP  18           HD1      TRP  18 -12.377  -0.056  -0.994
  114    HE1  TRP  18           HE1      TRP  18 -14.025  -1.276   0.569
  115    HE3  TRP  18           HE3      TRP  18  -9.436  -4.004   0.415
  116    HZ2  TRP  18           HZ2      TRP  18 -14.067  -3.564   2.196
  117    HZ3  TRP  18           HZ3      TRP  18 -10.362  -5.652   1.984
  118    HH2  TRP  18           HH2      TRP  18 -12.627  -5.440   2.856
  119    H    TYR  19           H        TYR  19  -7.341  -2.622  -0.377
  120    HA   TYR  19           HA       TYR  19  -7.861  -3.407   2.284
  121    HB2  TYR  19           HB2      TYR  19  -7.108  -4.964   0.549
  122    HB3  TYR  19           HB3      TYR  19  -5.563  -4.130   0.454
  123    HD1  TYR  19           HD1      TYR  19  -7.688  -5.646   3.152
  124    HD2  TYR  19           HD2      TYR  19  -3.813  -5.226   1.443
  125    HE1  TYR  19           HE1      TYR  19  -6.777  -7.177   4.848
  126    HE2  TYR  19           HE2      TYR  19  -2.895  -6.751   3.139
  127    HH   TYR  19           HH       TYR  19  -3.359  -7.668   5.237
  128    H    VAL  20           H        VAL  20  -5.154  -1.685   0.796
  129    HA   VAL  20           HA       VAL  20  -3.515  -1.311   2.989
  130    HB   VAL  20           HB       VAL  20  -4.093   0.500   0.644
  131   HG11  VAL  20          2HG1      VAL  20  -2.011   0.873   2.790
  132   HG12  VAL  20          1HG1      VAL  20  -3.386   1.929   2.463
  133   HG13  VAL  20          3HG1      VAL  20  -2.087   1.777   1.278
  134   HG21  VAL  20          3HG2      VAL  20  -1.703  -1.202   1.349
  135   HG22  VAL  20          2HG2      VAL  20  -1.906  -0.250  -0.120
  136   HG23  VAL  20          1HG2      VAL  20  -2.959  -1.631   0.190
  137    H    TYR  21           H        TYR  21  -6.226   0.746   1.953
  138    HA   TYR  21           HA       TYR  21  -5.923   2.632   4.043
  139    HB2  TYR  21           HB2      TYR  21  -7.084   3.031   1.851
  140    HB3  TYR  21           HB3      TYR  21  -8.420   2.052   2.445
  141    HD1  TYR  21           HD1      TYR  21  -6.421   5.061   3.324
  142    HD2  TYR  21           HD2      TYR  21 -10.165   3.066   3.578
  143    HE1  TYR  21           HE1      TYR  21  -7.397   7.055   4.359
  144    HE2  TYR  21           HE2      TYR  21 -11.165   5.056   4.607
  145    HH   TYR  21           HH       TYR  21 -10.480   7.044   5.855
  146    H    ASP  22           H        ASP  22  -7.714  -0.348   3.712
  147    HA   ASP  22           HA       ASP  22  -9.357  -0.079   6.008
  148    HB2  ASP  22           HB2      ASP  22  -9.830  -1.708   4.236
  149    HB3  ASP  22           HB3      ASP  22  -8.338  -2.562   4.606
  150    H    LYS  23           H        LYS  23  -6.207  -1.576   5.442
  151    HA   LYS  23           HA       LYS  23  -5.890  -2.641   8.044
  152    HB2  LYS  23           HB2      LYS  23  -3.901  -2.027   5.863
  153    HB3  LYS  23           HB3      LYS  23  -3.471  -2.844   7.360
  154    HG2  LYS  23           HG2      LYS  23  -5.621  -3.866   5.533
  155    HG3  LYS  23           HG3      LYS  23  -3.923  -4.304   5.342
  156    HD2  LYS  23           HD2      LYS  23  -5.418  -4.673   7.930
  157    HD3  LYS  23           HD3      LYS  23  -5.359  -5.914   6.676
  158    HE2  LYS  23           HE2      LYS  23  -2.913  -5.919   6.806
  159    HE3  LYS  23           HE3      LYS  23  -2.979  -4.687   8.063
  160    HZ1  LYS  23           HZ1      LYS  23  -2.685  -7.008   8.868
  161    HZ2  LYS  23           HZ2      LYS  23  -4.254  -7.353   8.326
  162    HZ3  LYS  23           HZ3      LYS  23  -4.011  -6.194   9.541
  163    H    VAL  24           H        VAL  24  -5.052   0.484   6.648
  164    HA   VAL  24           HA       VAL  24  -3.556   1.263   8.999
  165    HB   VAL  24           HB       VAL  24  -3.383   3.483   7.978
  166   HG11  VAL  24          2HG1      VAL  24  -2.801   1.230   6.063
  167   HG12  VAL  24          1HG1      VAL  24  -1.759   1.789   7.371
  168   HG13  VAL  24          3HG1      VAL  24  -2.093   2.844   5.997
  169   HG21  VAL  24          3HG2      VAL  24  -5.117   2.340   5.791
  170   HG22  VAL  24          2HG2      VAL  24  -4.279   3.892   5.730
  171   HG23  VAL  24          1HG2      VAL  24  -5.558   3.626   6.914
  172    H    GLY  25           H        GLY  25  -6.774   0.938   8.324
  173    HA2  GLY  25           HA1      GLY  25  -8.587   1.355   9.675
  174    HA3  GLY  25           HA2      GLY  25  -7.496   2.107  10.825
  175    H    GLY  26           H        GLY  26  -7.391   3.343   7.627
  176    HA2  GLY  26           HA1      GLY  26  -8.319   5.249   6.679
  177    HA3  GLY  26           HA2      GLY  26  -9.400   5.367   8.060
  178    H    GLU  27           H        GLU  27  -6.309   5.010   9.213
  179    HA   GLU  27           HA       GLU  27  -6.086   7.623  10.219
  180    HB2  GLU  27           HB2      GLU  27  -4.954   5.611  11.171
  181    HB3  GLU  27           HB3      GLU  27  -3.864   5.612   9.794
  182    HG2  GLU  27           HG2      GLU  27  -2.735   6.609  11.635
  183    HG3  GLU  27           HG3      GLU  27  -3.105   7.880  10.471
  184    H    ILE  28           H        ILE  28  -4.803   6.066   7.365
  185    HA   ILE  28           HA       ILE  28  -4.055   8.682   6.301
  186    HB   ILE  28           HB       ILE  28  -1.883   8.201   6.474
  187   HG12  ILE  28          2HG1      ILE  28  -2.583   7.343   4.055
  188   HG13  ILE  28          3HG1      ILE  28  -0.921   7.224   4.631
  189   HG21  ILE  28          2HG2      ILE  28  -2.314   6.570   8.206
  190   HG22  ILE  28          1HG2      ILE  28  -0.974   6.046   7.186
  191   HG23  ILE  28          3HG2      ILE  28  -2.567   5.315   6.993
  192   HD11  ILE  28          3HD1      ILE  28  -1.584   5.179   3.533
  193   HD12  ILE  28          2HD1      ILE  28  -2.983   5.020   4.598
  194   HD13  ILE  28          1HD1      ILE  28  -1.350   4.874   5.254
  195    H    GLY  29           H        GLY  29  -4.710   8.991   4.216
  196    HA2  GLY  29           HA1      GLY  29  -4.389   7.832   2.001
  197    HA3  GLY  29           HA2      GLY  29  -5.374   6.558   2.692
  198    H    SER  30           H        SER  30  -6.801   6.705   1.031
  199    HA   SER  30           HA       SER  30  -8.764   7.169   0.071
  200    HB2  SER  30           HB2      SER  30 -10.438   8.442   1.152
  201    HB3  SER  30           HB3      SER  30  -9.491   7.709   2.442
  202    HG   SER  30           HG       SER  30  -8.367   9.732   2.619
  203    H    THR  31           H        THR  31  -6.925  10.098   0.852
  204    HA   THR  31           HA       THR  31  -7.930  11.369  -1.571
  205    HB   THR  31           HB       THR  31  -6.561  13.335  -0.678
  206    HG1  THR  31           HG1      THR  31  -6.055  13.163   1.571
  207   HG21  THR  31          3HG2      THR  31  -8.983  13.217  -0.441
  208   HG22  THR  31          1HG2      THR  31  -8.257  13.899   1.015
  209   HG23  THR  31          2HG2      THR  31  -8.809  12.223   1.005
  210    H    TRP  32           H        TRP  32  -5.724   9.142  -1.227
  211    HA   TRP  32           HA       TRP  32  -3.432  10.461  -2.414
  212    HB2  TRP  32           HB2      TRP  32  -2.355   8.251  -2.306
  213    HB3  TRP  32           HB3      TRP  32  -2.999   8.757  -0.748
  214    HD1  TRP  32           HD1      TRP  32  -5.079   7.121  -3.529
  215    HE1  TRP  32           HE1      TRP  32  -6.013   4.926  -2.657
  216    HE3  TRP  32           HE3      TRP  32  -2.664   6.995   0.955
  217    HZ2  TRP  32           HZ2      TRP  32  -5.769   3.299  -0.348
  218    HZ3  TRP  32           HZ3      TRP  32  -3.071   5.068   2.453
  219    HH2  TRP  32           HH2      TRP  32  -4.589   3.263   1.812
  220    H    GLY  33           H        GLY  33  -6.274   9.239  -3.634
  221    HA2  GLY  33           HA1      GLY  33  -6.866   9.044  -5.891
  222    HA3  GLY  33           HA2      GLY  33  -5.159   9.170  -6.295
  223    H    ASN  34           H        ASN  34  -4.578   7.463  -7.416
  224    HA   ASN  34           HA       ASN  34  -5.324   4.830  -6.343
  225    HB2  ASN  34           HB2      ASN  34  -4.305   5.408  -9.138
  226    HB3  ASN  34           HB3      ASN  34  -4.874   3.865  -8.518
  227   HD21  ASN  34          1HD2      ASN  34  -5.741   6.869  -9.901
  228   HD22  ASN  34          2HD2      ASN  34  -7.445   6.575 -10.004
  229    H    ALA  35           H        ALA  35  -3.430   3.221  -7.210
  230    HA   ALA  35           HA       ALA  35  -1.409   3.652  -5.356
  231    HB1  ALA  35           HB1      ALA  35  -1.358   1.809  -7.735
  232    HB2  ALA  35           HB2      ALA  35  -0.337   1.690  -6.300
  233    HB3  ALA  35           HB3      ALA  35  -2.079   1.453  -6.166
  234    H    ASN  36           H        ASN  36  -1.297   4.097  -8.887
  235    HA   ASN  36           HA       ASN  36   1.470   4.736  -8.969
  236    HB2  ASN  36           HB2      ASN  36   0.164   3.882 -10.896
  237    HB3  ASN  36           HB3      ASN  36  -0.683   5.424 -10.980
  238   HD21  ASN  36          1HD2      ASN  36   0.036   5.732 -13.084
  239   HD22  ASN  36          2HD2      ASN  36   1.672   6.188 -13.437
  240    H    ASN  37           H        ASN  37  -1.265   6.552  -8.082
  241    HA   ASN  37           HA       ASN  37   0.077   9.113  -8.597
  242    HB2  ASN  37           HB2      ASN  37  -2.234   8.807  -9.453
  243    HB3  ASN  37           HB3      ASN  37  -2.795   8.538  -7.809
  244   HD21  ASN  37          1HD2      ASN  37  -3.221  10.247  -6.528
  245   HD22  ASN  37          2HD2      ASN  37  -3.087  11.894  -7.039
  246    H    TRP  38           H        TRP  38   0.222   6.926  -6.324
  247    HA   TRP  38           HA       TRP  38  -0.719   7.949  -3.935
  248    HB2  TRP  38           HB2      TRP  38   1.145   5.883  -4.738
  249    HB3  TRP  38           HB3      TRP  38   1.645   6.677  -3.237
  250    HD1  TRP  38           HD1      TRP  38  -1.947   5.749  -4.397
  251    HE1  TRP  38           HE1      TRP  38  -2.991   4.351  -2.546
  252    HE3  TRP  38           HE3      TRP  38   2.088   5.436  -1.299
  253    HZ2  TRP  38           HZ2      TRP  38  -2.191   3.250  -0.013
  254    HZ3  TRP  38           HZ3      TRP  38   1.880   4.203   0.806
  255    HH2  TRP  38           HH2      TRP  38  -0.209   3.128   1.429
  256    H    ALA  39           H        ALA  39   2.691   8.102  -4.991
  257    HA   ALA  39           HA       ALA  39   3.524   9.618  -2.791
  258    HB1  ALA  39           HB1      ALA  39   4.821   9.447  -5.511
  259    HB2  ALA  39           HB2      ALA  39   5.595   9.988  -4.022
  260    HB3  ALA  39           HB3      ALA  39   5.067   8.312  -4.183
  261    H    ALA  40           H        ALA  40   2.035  10.562  -5.762
  262    HA   ALA  40           HA       ALA  40   2.728  13.336  -5.598
  263    HB1  ALA  40           HB1      ALA  40   0.523  12.000  -7.156
  264    HB2  ALA  40           HB2      ALA  40   1.132  13.636  -7.402
  265    HB3  ALA  40           HB3      ALA  40   2.173  12.248  -7.727
  266    H    ALA  41           H        ALA  41  -0.307  11.524  -5.046
  267    HA   ALA  41           HA       ALA  41  -1.692  13.831  -4.090
  268    HB1  ALA  41           HB1      ALA  41  -2.460  10.924  -3.819
  269    HB2  ALA  41           HB2      ALA  41  -3.518  12.318  -3.595
  270    HB3  ALA  41           HB3      ALA  41  -2.849  11.972  -5.186
  271    H    ALA  42           H        ALA  42  -0.052  11.128  -2.546
  272    HA   ALA  42           HA       ALA  42  -0.850  11.505   0.105
  273    HB1  ALA  42           HB1      ALA  42   0.403   9.567  -0.537
  274    HB2  ALA  42           HB2      ALA  42   1.777  10.557  -1.033
  275    HB3  ALA  42           HB3      ALA  42   1.338  10.451   0.670
  276    H    GLN  43           H        GLN  43   1.671  13.112  -1.806
  277    HA   GLN  43           HA       GLN  43   2.829  14.621   0.273
  278    HB2  GLN  43           HB2      GLN  43   2.690  15.006  -2.709
  279    HB3  GLN  43           HB3      GLN  43   3.486  16.179  -1.670
  280    HG2  GLN  43           HG2      GLN  43   4.216  13.271  -1.622
  281    HG3  GLN  43           HG3      GLN  43   4.924  14.398  -2.781
  282   HE21  GLN  43          1HE2      GLN  43   4.654  13.567   0.598
  283   HE22  GLN  43          2HE2      GLN  43   6.025  14.483   1.132
  284    H    GLY  44           H        GLY  44   0.219  15.381  -2.019
  285    HA2  GLY  44           HA1      GLY  44  -0.293  17.979  -0.975
  286    HA3  GLY  44           HA2      GLY  44  -1.373  17.043  -1.997
  287    H    ALA  45           H        ALA  45  -1.483  14.776  -0.192
  288    HA   ALA  45           HA       ALA  45  -3.585  15.630   1.525
  289    HB1  ALA  45           HB1      ALA  45  -3.671  13.315   2.259
  290    HB2  ALA  45           HB2      ALA  45  -3.520  13.395   0.503
  291    HB3  ALA  45           HB3      ALA  45  -2.116  12.994   1.493
  292    H    GLY  46           H        GLY  46  -0.195  15.496   1.862
  293    HA2  GLY  46           HA1      GLY  46   0.906  16.643   3.615
  294    HA3  GLY  46           HA2      GLY  46  -0.494  16.367   4.639
  295    H    PHE  47           H        PHE  47   1.116  13.870   2.740
  296    HA   PHE  47           HA       PHE  47   1.957  12.611   5.264
  297    HB2  PHE  47           HB2      PHE  47   1.933  11.343   2.521
  298    HB3  PHE  47           HB3      PHE  47   2.134  10.532   4.061
  299    HD1  PHE  47           HD1      PHE  47  -0.303  12.455   5.142
  300    HD2  PHE  47           HD2      PHE  47   0.270   9.591   2.053
  301    HE1  PHE  47           HE1      PHE  47  -2.719  11.961   5.146
  302    HE2  PHE  47           HE2      PHE  47  -2.131   9.083   2.048
  303    HZ   PHE  47           HZ       PHE  47  -3.630  10.284   3.585
  304    H    THR  48           H        THR  48   4.101  11.903   5.515
  305    HA   THR  48           HA       THR  48   6.072  13.294   3.872
  306    HB   THR  48           HB       THR  48   6.658  11.468   6.204
  307    HG1  THR  48           HG1      THR  48   5.733  12.924   7.425
  308   HG21  THR  48          3HG2      THR  48   8.667  12.864   6.403
  309   HG22  THR  48          1HG2      THR  48   8.146  13.810   5.009
  310   HG23  THR  48          2HG2      THR  48   8.563  12.108   4.812
  311    H    VAL  49           H        VAL  49   6.747  12.263   2.047
  312    HA   VAL  49           HA       VAL  49   6.699   9.338   2.110
  313    HB   VAL  49           HB       VAL  49   6.392   9.227  -0.129
  314   HG11  VAL  49          2HG1      VAL  49   5.361  11.988   0.465
  315   HG12  VAL  49          1HG1      VAL  49   4.514  10.459   0.706
  316   HG13  VAL  49          3HG1      VAL  49   4.898  11.006  -0.926
  317   HG21  VAL  49          3HG2      VAL  49   7.882  11.816  -0.467
  318   HG22  VAL  49          2HG2      VAL  49   7.107  10.931  -1.784
  319   HG23  VAL  49          1HG2      VAL  49   8.429  10.190  -0.883
  320    H    ASN  50           H        ASN  50   8.459   8.247   2.408
  321    HA   ASN  50           HA       ASN  50  11.035   9.346   1.502
  322    HB2  ASN  50           HB2      ASN  50  10.788   7.331   3.740
  323    HB3  ASN  50           HB3      ASN  50  12.159   8.350   3.339
  324   HD21  ASN  50          1HD2      ASN  50  10.636   7.859   5.824
  325   HD22  ASN  50          2HD2      ASN  50  10.173   9.424   6.389
  326    H    HIS  51           H        HIS  51  12.119   6.638   2.263
  327    HA   HIS  51           HA       HIS  51  10.430   4.749   0.959
  328    HB2  HIS  51           HB2      HIS  51  12.306   4.054  -0.705
  329    HB3  HIS  51           HB3      HIS  51  11.264   5.406  -1.113
  330    HD1  HIS  51           HD1      HIS  51  12.431   7.430  -1.890
  331    HD2  HIS  51           HD2      HIS  51  14.922   4.994   0.379
  332    HE1  HIS  51           HE1      HIS  51  14.710   8.481  -2.024
  333    HE2  HIS  51           HE2      HIS  51  16.236   6.863  -0.837
  334    H    THR  52           H        THR  52  10.515   3.720   2.876
  335    HA   THR  52           HA       THR  52  12.624   1.800   3.160
  336    HB   THR  52           HB       THR  52  12.133   3.732   5.453
  337    HG1  THR  52           HG1      THR  52  13.898   3.780   3.391
  338   HG21  THR  52          3HG2      THR  52  13.981   1.348   5.225
  339   HG22  THR  52          1HG2      THR  52  12.553   1.469   6.251
  340   HG23  THR  52          2HG2      THR  52  13.957   2.491   6.568
  341    HA   PRO  53           HA       PRO  53   8.421   0.117   3.907
  342    HB2  PRO  53           HB2      PRO  53   9.401  -2.490   3.903
  343    HB3  PRO  53           HB3      PRO  53   8.764  -1.624   2.500
  344    HG2  PRO  53           HG2      PRO  53  11.597  -2.000   3.376
  345    HG3  PRO  53           HG3      PRO  53  10.909  -2.044   1.739
  346    HD2  PRO  53           HD2      PRO  53  12.243   0.099   2.578
  347    HD3  PRO  53           HD3      PRO  53  10.764   0.279   1.607
  348    H    SER  54           H        SER  54   7.432  -0.620   5.709
  349    HA   SER  54           HA       SER  54   8.797  -1.752   7.949
  350    HB2  SER  54           HB2      SER  54   7.881   1.138   8.079
  351    HB3  SER  54           HB3      SER  54   8.291   0.169   9.492
  352    HG   SER  54           HG       SER  54  10.245   0.054   7.619
  353    H    LYS  55           H        LYS  55   7.248  -2.325   9.655
  354    HA   LYS  55           HA       LYS  55   4.764  -3.101   8.552
  355    HB2  LYS  55           HB2      LYS  55   4.293  -4.120  10.612
  356    HB3  LYS  55           HB3      LYS  55   6.047  -4.179  10.505
  357    HG2  LYS  55           HG2      LYS  55   6.083  -2.085  11.892
  358    HG3  LYS  55           HG3      LYS  55   4.358  -2.324  12.153
  359    HD2  LYS  55           HD2      LYS  55   4.829  -4.540  13.119
  360    HD3  LYS  55           HD3      LYS  55   6.558  -4.250  12.905
  361    HE2  LYS  55           HE2      LYS  55   4.669  -2.643  14.625
  362    HE3  LYS  55           HE3      LYS  55   5.895  -3.774  15.194
  363    HZ1  LYS  55           HZ1      LYS  55   6.614  -1.451  15.336
  364    HZ2  LYS  55           HZ2      LYS  55   6.451  -1.291  13.656
  365    HZ3  LYS  55           HZ3      LYS  55   7.607  -2.353  14.298
  366    H    GLY  56           H        GLY  56   2.754  -2.282   8.739
  367    HA2  GLY  56           HA1      GLY  56   1.076  -0.793   9.407
  368    HA3  GLY  56           HA2      GLY  56   2.272   0.119  10.316
  369    H    ALA  57           H        ALA  57   3.928  -0.113   7.688
  370    HA   ALA  57           HA       ALA  57   2.813   2.322   6.503
  371    HB1  ALA  57           HB1      ALA  57   5.163   2.372   7.250
  372    HB2  ALA  57           HB2      ALA  57   5.536   1.082   6.108
  373    HB3  ALA  57           HB3      ALA  57   5.000   2.654   5.515
  374    H    ILE  58           H        ILE  58   3.626   2.315   3.965
  375    HA   ILE  58           HA       ILE  58   2.645  -0.193   2.799
  376    HB   ILE  58           HB       ILE  58   1.644   2.511   1.899
  377   HG12  ILE  58          2HG1      ILE  58  -0.592   1.421   2.780
  378   HG13  ILE  58          3HG1      ILE  58   0.504   0.537   3.836
  379   HG21  ILE  58          2HG2      ILE  58   0.017   1.172   0.615
  380   HG22  ILE  58          1HG2      ILE  58   0.848  -0.295   1.137
  381   HG23  ILE  58          3HG2      ILE  58   1.686   0.882   0.125
  382   HD11  ILE  58          3HD1      ILE  58   0.265   3.531   3.646
  383   HD12  ILE  58          2HD1      ILE  58   1.356   2.648   4.714
  384   HD13  ILE  58          1HD1      ILE  58  -0.389   2.513   4.929
  385    H    LEU  59           H        LEU  59   3.340  -0.615   0.707
  386    HA   LEU  59           HA       LEU  59   5.838   0.698  -0.009
  387    HB2  LEU  59           HB2      LEU  59   5.280  -1.853   0.108
  388    HB3  LEU  59           HB3      LEU  59   4.583  -1.597  -1.475
  389    HG   LEU  59           HG       LEU  59   6.863  -0.633  -2.114
  390   HD11  LEU  59          2HD1      LEU  59   8.743  -1.481  -0.801
  391   HD12  LEU  59          1HD1      LEU  59   7.612  -2.098   0.405
  392   HD13  LEU  59          3HD1      LEU  59   7.742  -0.361   0.122
  393   HD21  LEU  59          3HD2      LEU  59   6.582  -3.558  -1.464
  394   HD22  LEU  59          2HD2      LEU  59   7.731  -2.855  -2.604
  395   HD23  LEU  59          1HD2      LEU  59   5.999  -2.754  -2.924
  396    H    GLN  60           H        GLN  60   6.261   1.157  -2.347
  397    HA   GLN  60           HA       GLN  60   3.956   1.623  -4.042
  398    HB2  GLN  60           HB2      GLN  60   3.895   3.717  -2.969
  399    HB3  GLN  60           HB3      GLN  60   5.646   3.828  -2.893
  400    HG2  GLN  60           HG2      GLN  60   4.842   5.405  -4.491
  401    HG3  GLN  60           HG3      GLN  60   5.706   4.125  -5.340
  402   HE21  GLN  60          1HE2      GLN  60   3.689   6.033  -6.290
  403   HE22  GLN  60          2HE2      GLN  60   2.402   5.079  -6.939
  404    H    SER  61           H        SER  61   4.408   1.518  -6.153
  405    HA   SER  61           HA       SER  61   7.053   1.946  -7.201
  406    HB2  SER  61           HB2      SER  61   7.192  -0.417  -6.416
  407    HB3  SER  61           HB3      SER  61   5.810  -0.812  -7.441
  408    HG   SER  61           HG       SER  61   8.056  -1.168  -8.287
  409    H    SER  62           H        SER  62   6.901   2.641  -9.278
  410    HA   SER  62           HA       SER  62   4.244   2.619 -10.498
  411    HB2  SER  62           HB2      SER  62   6.702   4.133 -11.412
  412    HB3  SER  62           HB3      SER  62   5.026   4.428 -11.878
  413    HG   SER  62           HG       SER  62   5.091   5.810 -10.289
  414    H    GLU  63           H        GLU  63   4.092   0.557 -11.382
  415    HA   GLU  63           HA       GLU  63   6.277  -0.327 -13.100
  416    HB2  GLU  63           HB2      GLU  63   3.904  -1.866 -12.065
  417    HB3  GLU  63           HB3      GLU  63   5.198  -2.540 -13.039
  418    HG2  GLU  63           HG2      GLU  63   6.794  -1.999 -11.248
  419    HG3  GLU  63           HG3      GLU  63   5.455  -1.406 -10.266
  420    H    GLY  64           H        GLY  64   3.545   1.363 -13.479
  421    HA2  GLY  64           HA1      GLY  64   3.246   1.974 -15.890
  422    HA3  GLY  64           HA2      GLY  64   3.122   0.253 -16.181
  423    HA   PRO  65           HA       PRO  65  -1.109  -0.072 -16.121
  424    HB2  PRO  65           HB2      PRO  65  -1.799  -1.422 -13.749
  425    HB3  PRO  65           HB3      PRO  65  -1.441  -2.146 -15.317
  426    HG2  PRO  65           HG2      PRO  65   0.295  -1.834 -12.934
  427    HG3  PRO  65           HG3      PRO  65   0.299  -3.097 -14.178
  428    HD2  PRO  65           HD2      PRO  65   2.179  -1.166 -14.075
  429    HD3  PRO  65           HD3      PRO  65   1.614  -1.852 -15.614
  430    H    PHE  66           H        PHE  66  -0.709   0.240 -12.592
  431    HA   PHE  66           HA       PHE  66  -2.075   2.790 -12.630
  432    HB2  PHE  66           HB2      PHE  66  -4.015   2.150 -11.423
  433    HB3  PHE  66           HB3      PHE  66  -3.871   0.987 -12.737
  434    HD1  PHE  66           HD2      PHE  66  -2.245  -1.087 -11.997
  435    HD2  PHE  66           HD1      PHE  66  -4.681   1.286  -9.442
  436    HE1  PHE  66           HE2      PHE  66  -2.291  -2.917 -10.355
  437    HE2  PHE  66           HE1      PHE  66  -4.730  -0.536  -7.791
  438    HZ   PHE  66           HZ       PHE  66  -3.536  -2.640  -8.247
  439    H    GLY  67           H        GLY  67   0.382   1.199 -11.593
  440    HA2  GLY  67           HA1      GLY  67   1.830   2.008  -9.900
  441    HA3  GLY  67           HA2      GLY  67   0.425   2.566  -9.003
  442    H    HIS  68           H        HIS  68   2.168   1.299  -7.515
  443    HA   HIS  68           HA       HIS  68   0.980  -1.342  -7.052
  444    HB2  HIS  68           HB2      HIS  68   3.130  -1.514  -8.423
  445    HB3  HIS  68           HB3      HIS  68   3.965  -0.876  -7.007
  446    HD1  HIS  68           HD1      HIS  68   3.915  -3.879  -8.502
  447    HD2  HIS  68           HD2      HIS  68   2.648  -2.760  -4.696
  448    HE1  HIS  68           HE1      HIS  68   3.964  -5.979  -7.112
  449    HE2  HIS  68           HE2      HIS  68   2.948  -5.321  -4.899
  450    H    VAL  69           H        VAL  69  -0.016  -0.482  -5.127
  451    HA   VAL  69           HA       VAL  69   1.984   0.144  -3.074
  452    HB   VAL  69           HB       VAL  69   0.233   1.338  -1.842
  453   HG11  VAL  69          2HG1      VAL  69   0.117   3.270  -3.335
  454   HG12  VAL  69          1HG1      VAL  69   0.582   2.248  -4.695
  455   HG13  VAL  69          3HG1      VAL  69   1.717   2.526  -3.373
  456   HG21  VAL  69          3HG2      VAL  69  -1.738   0.157  -2.652
  457   HG22  VAL  69          2HG2      VAL  69  -1.472   0.792  -4.274
  458   HG23  VAL  69          1HG2      VAL  69  -1.894   1.888  -2.957
  459    H    ALA  70           H        ALA  70   2.322  -1.334  -1.670
  460    HA   ALA  70           HA       ALA  70   0.206  -3.285  -1.055
  461    HB1  ALA  70           HB1      ALA  70   3.185  -3.754  -1.178
  462    HB2  ALA  70           HB2      ALA  70   1.970  -4.949  -0.725
  463    HB3  ALA  70           HB3      ALA  70   2.002  -4.303  -2.366
  464    H    TYR  71           H        TYR  71  -0.353  -3.363   1.028
  465    HA   TYR  71           HA       TYR  71   0.852  -1.564   2.877
  466    HB2  TYR  71           HB2      TYR  71  -1.498  -1.933   3.076
  467    HB3  TYR  71           HB3      TYR  71  -1.282  -3.681   3.162
  468    HD1  TYR  71           HD1      TYR  71  -0.939  -0.517   4.999
  469    HD2  TYR  71           HD2      TYR  71  -0.690  -4.758   5.206
  470    HE1  TYR  71           HE1      TYR  71  -0.865  -0.380   7.451
  471    HE2  TYR  71           HE2      TYR  71  -0.621  -4.633   7.667
  472    HH   TYR  71           HH       TYR  71  -1.362  -1.793   9.386
  473    H    VAL  72           H        VAL  72   2.461  -1.922   4.261
  474    HA   VAL  72           HA       VAL  72   3.827  -4.469   4.070
  475    HB   VAL  72           HB       VAL  72   4.667  -2.046   5.660
  476   HG11  VAL  72          2HG1      VAL  72   6.917  -2.969   5.368
  477   HG12  VAL  72          1HG1      VAL  72   6.236  -4.349   4.504
  478   HG13  VAL  72          3HG1      VAL  72   5.850  -4.095   6.206
  479   HG21  VAL  72          3HG2      VAL  72   5.273  -2.686   2.771
  480   HG22  VAL  72          2HG2      VAL  72   5.996  -1.378   3.707
  481   HG23  VAL  72          1HG2      VAL  72   4.266  -1.358   3.356
  482    H    GLU  73           H        GLU  73   3.560  -6.051   5.477
  483    HA   GLU  73           HA       GLU  73   2.095  -5.555   7.934
  484    HB2  GLU  73           HB2      GLU  73   2.898  -8.035   6.437
  485    HB3  GLU  73           HB3      GLU  73   2.290  -8.128   8.084
  486    HG2  GLU  73           HG2      GLU  73   0.771  -6.726   5.913
  487    HG3  GLU  73           HG3      GLU  73   0.626  -8.463   6.184
  488    H    SER  74           H        SER  74   5.337  -6.214   6.877
  489    HA   SER  74           HA       SER  74   6.508  -5.641   9.350
  490    HB2  SER  74           HB2      SER  74   7.357  -7.966   9.908
  491    HB3  SER  74           HB3      SER  74   5.638  -7.706  10.207
  492    HG   SER  74           HG       SER  74   5.350  -8.625   8.019
  493    H    VAL  75           H        VAL  75   8.796  -5.730   9.289
  494    HA   VAL  75           HA       VAL  75   9.932  -6.545   6.700
  495    HB   VAL  75           HB       VAL  75  10.357  -4.198   7.070
  496   HG11  VAL  75          2HG1      VAL  75  10.073  -4.066   9.467
  497   HG12  VAL  75          1HG1      VAL  75  11.638  -3.392   9.010
  498   HG13  VAL  75          3HG1      VAL  75  11.545  -5.004   9.719
  499   HG21  VAL  75          3HG2      VAL  75  12.817  -4.166   7.028
  500   HG22  VAL  75          2HG2      VAL  75  12.158  -5.459   6.027
  501   HG23  VAL  75          1HG2      VAL  75  12.840  -5.830   7.608
  502    H    ASN  76           H        ASN  76  11.182  -8.279   6.693
  503    HA   ASN  76           HA       ASN  76  11.382  -9.786   9.119
  504    HB2  ASN  76           HB2      ASN  76  12.490 -10.437   6.380
  505    HB3  ASN  76           HB3      ASN  76  12.279 -11.567   7.713
  506   HD21  ASN  76          1HD2      ASN  76  11.205 -11.613   5.011
  507   HD22  ASN  76          2HD2      ASN  76   9.483 -11.696   5.186
  508    H    SER  77           H        SER  77  13.353 -10.752   9.919
  509    HA   SER  77           HA       SER  77  15.488  -8.841  10.118
  510    HB2  SER  77           HB2      SER  77  14.761 -10.323  12.003
  511    HB3  SER  77           HB3      SER  77  15.407 -11.702  11.117
  512    HG   SER  77           HG       SER  77  17.385 -10.089  11.125
  513    H    ASP  78           H        ASP  78  14.668 -11.137   7.890
  514    HA   ASP  78           HA       ASP  78  17.339 -11.956   7.135
  515    HB2  ASP  78           HB2      ASP  78  14.720 -12.353   5.667
  516    HB3  ASP  78           HB3      ASP  78  16.229 -13.207   5.368
  517    H    GLY  79           H        GLY  79  15.660  -9.169   6.814
  518    HA2  GLY  79           HA1      GLY  79  16.201  -7.279   5.571
  519    HA3  GLY  79           HA2      GLY  79  17.243  -8.265   4.557
  520    H    SER  80           H        SER  80  14.346  -9.803   4.860
  521    HA   SER  80           HA       SER  80  13.397  -8.757   2.306
  522    HB2  SER  80           HB2      SER  80  11.876 -10.826   2.445
  523    HB3  SER  80           HB3      SER  80  13.600 -11.110   2.210
  524    HG   SER  80           HG       SER  80  13.256 -12.410   3.856
  525    H    VAL  81           H        VAL  81  11.267  -8.023   2.050
  526    HA   VAL  81           HA       VAL  81  10.019  -7.227   4.591
  527    HB   VAL  81           HB       VAL  81   9.824  -5.889   1.890
  528   HG11  VAL  81          2HG1      VAL  81   8.664  -4.096   3.097
  529   HG12  VAL  81          1HG1      VAL  81   8.684  -5.081   4.561
  530   HG13  VAL  81          3HG1      VAL  81   7.771  -5.615   3.150
  531   HG21  VAL  81          3HG2      VAL  81  11.100  -4.084   2.981
  532   HG22  VAL  81          2HG2      VAL  81  12.007  -5.594   2.895
  533   HG23  VAL  81          1HG2      VAL  81  11.268  -5.096   4.417
  534    H    THR  82           H        THR  82   8.095  -7.957   5.087
  535    HA   THR  82           HA       THR  82   6.646  -9.590   3.154
  536    HB   THR  82           HB       THR  82   6.203  -9.206   6.125
  537    HG1  THR  82           HG1      THR  82   7.807 -10.581   6.268
  538   HG21  THR  82          3HG2      THR  82   4.761 -11.189   5.957
  539   HG22  THR  82          1HG2      THR  82   5.003 -11.216   4.211
  540   HG23  THR  82          2HG2      THR  82   4.149  -9.867   4.961
  541    H    ILE  83           H        ILE  83   5.320  -8.451   1.895
  542    HA   ILE  83           HA       ILE  83   3.723  -6.309   3.124
  543    HB   ILE  83           HB       ILE  83   3.397  -5.460   0.803
  544   HG12  ILE  83          2HG1      ILE  83   5.564  -7.462   0.128
  545   HG13  ILE  83          3HG1      ILE  83   3.885  -7.568  -0.386
  546   HG21  ILE  83          2HG2      ILE  83   5.610  -4.440   0.621
  547   HG22  ILE  83          1HG2      ILE  83   6.255  -5.638   1.744
  548   HG23  ILE  83          3HG2      ILE  83   5.050  -4.472   2.294
  549   HD11  ILE  83          3HD1      ILE  83   4.145  -5.520  -1.677
  550   HD12  ILE  83          2HD1      ILE  83   5.312  -6.747  -2.167
  551   HD13  ILE  83          1HD1      ILE  83   5.824  -5.400  -1.151
  552    H    SER  84           H        SER  84   1.528  -6.141   2.591
  553    HA   SER  84           HA       SER  84   0.334  -8.607   1.522
  554    HB2  SER  84           HB2      SER  84   0.220  -8.272   4.070
  555    HB3  SER  84           HB3      SER  84  -0.899  -6.955   3.724
  556    HG   SER  84           HG       SER  84  -1.216  -9.663   2.928
  557    H    GLU  85           H        GLU  85  -0.167  -7.845  -0.456
  558    HA   GLU  85           HA       GLU  85  -1.954  -5.514  -0.619
  559    HB2  GLU  85           HB2      GLU  85  -1.294  -5.424  -3.034
  560    HB3  GLU  85           HB3      GLU  85   0.029  -5.122  -1.916
  561    HG2  GLU  85           HG2      GLU  85   0.781  -7.445  -2.212
  562    HG3  GLU  85           HG3      GLU  85  -0.515  -7.696  -3.380
  563    H    MET  86           H        MET  86  -4.002  -6.196  -0.623
  564    HA   MET  86           HA       MET  86  -4.680  -8.817  -1.601
  565    HB2  MET  86           HB2      MET  86  -5.760  -7.702   0.416
  566    HB3  MET  86           HB3      MET  86  -6.617  -6.674  -0.728
  567    HG2  MET  86           HG2      MET  86  -7.547  -8.712  -1.787
  568    HG3  MET  86           HG3      MET  86  -6.789  -9.668  -0.520
  569    HE1  MET  86           HE1      MET  86  -8.762  -8.789   2.653
  570    HE2  MET  86           HE2      MET  86  -7.630  -9.900   1.880
  571    HE3  MET  86           HE3      MET  86  -7.174  -8.216   2.138
  572    H    ASN  87           H        ASN  87  -5.430  -9.330  -3.529
  573    HA   ASN  87           HA       ASN  87  -6.445  -9.265  -5.554
  574    HB2  ASN  87           HB2      ASN  87  -8.243  -7.959  -4.486
  575    HB3  ASN  87           HB3      ASN  87  -7.347  -6.478  -4.804
  576   HD21  ASN  87          1HD2      ASN  87  -7.175  -5.739  -6.957
  577   HD22  ASN  87          2HD2      ASN  87  -8.257  -6.289  -8.191
  578    H    TYR  88           H        TYR  88  -5.236  -5.978  -4.953
  579    HA   TYR  88           HA       TYR  88  -3.893  -4.588  -6.131
  580    HB2  TYR  88           HB2      TYR  88  -2.287  -6.489  -5.907
  581    HB3  TYR  88           HB3      TYR  88  -2.857  -7.108  -7.450
  582    HD1  TYR  88           HD1      TYR  88  -1.676  -3.812  -6.124
  583    HD2  TYR  88           HD2      TYR  88  -1.426  -6.742  -9.198
  584    HE1  TYR  88           HE1      TYR  88   0.031  -2.461  -7.266
  585    HE2  TYR  88           HE2      TYR  88   0.282  -5.401 -10.347
  586    HH   TYR  88           HH       TYR  88   1.194  -3.273 -10.459
  587    H    SER  89           H        SER  89  -4.077  -6.954  -8.697
  588    HA   SER  89           HA       SER  89  -6.380  -5.951  -9.995
  589    HB2  SER  89           HB2      SER  89  -3.696  -5.008 -10.995
  590    HB3  SER  89           HB3      SER  89  -5.052  -5.217 -12.105
  591    HG   SER  89           HG       SER  89  -5.344  -3.719  -9.728
  592    H    GLY  90           H        GLY  90  -5.418  -8.403  -9.098
  593    HA2  GLY  90           HA1      GLY  90  -4.922  -9.829 -11.647
  594    HA3  GLY  90           HA2      GLY  90  -4.099 -10.277 -10.159
  595    H    GLY  91           H        GLY  91  -5.242 -11.323  -8.520
  596    HA2  GLY  91           HA1      GLY  91  -7.758 -12.545  -9.418
  597    HA3  GLY  91           HA2      GLY  91  -6.739 -13.122  -8.104
  598    HA   PRO  92           HA       PRO  92 -10.108  -9.683  -6.917
  599    HB2  PRO  92           HB2      PRO  92 -11.989 -12.003  -6.941
  600    HB3  PRO  92           HB3      PRO  92 -12.302 -10.290  -7.263
  601    HG2  PRO  92           HG2      PRO  92 -12.144 -11.991  -9.283
  602    HG3  PRO  92           HG3      PRO  92 -11.385 -10.388  -9.402
  603    HD2  PRO  92           HD2      PRO  92 -10.116 -13.055  -8.902
  604    HD3  PRO  92           HD3      PRO  92  -9.536 -11.696  -9.888
  605    H    PHE  93           H        PHE  93  -9.414  -9.413  -4.948
  606    HA   PHE  93           HA       PHE  93  -9.088  -9.613  -2.735
  607    HB2  PHE  93           HB2      PHE  93 -10.959 -11.957  -2.994
  608    HB3  PHE  93           HB3      PHE  93 -10.277 -11.411  -1.462
  609    HD1  PHE  93           HD2      PHE  93 -12.479 -10.438  -4.272
  610    HD2  PHE  93           HD1      PHE  93 -11.176  -9.561  -0.319
  611    HE1  PHE  93           HE2      PHE  93 -14.323  -8.827  -4.028
  612    HE2  PHE  93           HE1      PHE  93 -13.019  -7.952  -0.063
  613    HZ   PHE  93           HZ       PHE  93 -14.595  -7.582  -1.919
  614    H    SER  94           H        SER  94  -7.690 -11.505  -4.911
  615    HA   SER  94           HA       SER  94  -6.436 -13.420  -3.199
  616    HB2  SER  94           HB2      SER  94  -5.518 -12.285  -5.852
  617    HB3  SER  94           HB3      SER  94  -4.731 -13.622  -5.001
  618    HG   SER  94           HG       SER  94  -7.143 -14.419  -5.083
  619    H    VAL  95           H        VAL  95  -5.847 -12.266  -1.395
  620    HA   VAL  95           HA       VAL  95  -4.244  -9.981  -1.423
  621    HB   VAL  95           HB       VAL  95  -5.331 -10.454   0.608
  622   HG11  VAL  95          2HG1      VAL  95  -5.677 -12.828   0.336
  623   HG12  VAL  95          1HG1      VAL  95  -4.972 -12.498   1.919
  624   HG13  VAL  95          3HG1      VAL  95  -3.963 -13.140   0.622
  625   HG21  VAL  95          3HG2      VAL  95  -2.416 -11.097   1.030
  626   HG22  VAL  95          2HG2      VAL  95  -3.540 -10.529   2.263
  627   HG23  VAL  95          1HG2      VAL  95  -3.118  -9.482   0.908
  628    H    SER  96           H        SER  96  -2.460  -9.983  -2.650
  629    HA   SER  96           HA       SER  96  -0.890 -12.335  -3.062
  630    HB2  SER  96           HB2      SER  96  -0.405  -9.473  -3.933
  631    HB3  SER  96           HB3      SER  96   0.455 -10.894  -4.533
  632    HG   SER  96           HG       SER  96  -2.018 -11.516  -4.859
  633    H    SER  97           H        SER  97   0.415 -13.049  -1.572
  634    HA   SER  97           HA       SER  97   1.764 -11.263   0.265
  635    HB2  SER  97           HB2      SER  97   2.010 -14.261  -0.082
  636    HB3  SER  97           HB3      SER  97   2.723 -13.325   1.229
  637    HG   SER  97           HG       SER  97   0.855 -13.262   2.195
  638    H    ARG  98           H        ARG  98   3.148 -10.027  -0.972
  639    HA   ARG  98           HA       ARG  98   5.139 -11.381  -2.620
  640    HB2  ARG  98           HB2      ARG  98   4.797  -8.423  -2.098
  641    HB3  ARG  98           HB3      ARG  98   5.855  -9.151  -3.296
  642    HG2  ARG  98           HG2      ARG  98   2.858  -9.373  -3.316
  643    HG3  ARG  98           HG3      ARG  98   3.781  -8.179  -4.221
  644    HD2  ARG  98           HD2      ARG  98   5.010 -10.185  -5.238
  645    HD3  ARG  98           HD3      ARG  98   3.686 -11.153  -4.589
  646    HE   ARG  98           HE       ARG  98   2.703  -8.935  -6.071
  647   HH11  ARG  98          2HH1      ARG  98   3.999 -12.175  -6.461
  648   HH12  ARG  98          1HH1      ARG  98   3.346 -12.359  -8.066
  649   HH21  ARG  98          2HH2      ARG  98   1.868  -9.186  -8.158
  650   HH22  ARG  98          1HH2      ARG  98   2.147 -10.664  -9.030
  651    H    THR  99           H        THR  99   7.428 -10.724  -2.352
  652    HA   THR  99           HA       THR  99   8.108 -10.077   0.433
  653    HB   THR  99           HB       THR  99   9.405 -12.299  -1.166
  654    HG1  THR  99           HG1      THR  99   7.196 -12.249   0.407
  655   HG21  THR  99          3HG2      THR  99  10.945 -11.157   0.379
  656   HG22  THR  99          1HG2      THR  99  10.594 -12.803   0.910
  657   HG23  THR  99          2HG2      THR  99   9.814 -11.435   1.703
  658    H    ILE 100           H        ILE 100   9.084  -8.185   0.255
  659    HA   ILE 100           HA       ILE 100  10.486  -7.440  -2.167
  660    HB   ILE 100           HB       ILE 100  10.016  -5.897   0.387
  661   HG12  ILE 100          2HG1      ILE 100   7.935  -6.350  -0.736
  662   HG13  ILE 100          3HG1      ILE 100   8.360  -4.658  -0.992
  663   HG21  ILE 100          2HG2      ILE 100  11.975  -5.058  -0.758
  664   HG22  ILE 100          1HG2      ILE 100  10.641  -3.914  -0.915
  665   HG23  ILE 100          3HG2      ILE 100  11.075  -4.956  -2.270
  666   HD11  ILE 100          3HD1      ILE 100   9.160  -5.199  -3.232
  667   HD12  ILE 100          2HD1      ILE 100   7.475  -5.671  -3.016
  668   HD13  ILE 100          1HD1      ILE 100   8.744  -6.895  -2.975
  669    H    SER 101           H        SER 101  12.617  -7.593  -2.465
  670    HA   SER 101           HA       SER 101  14.391  -8.168  -0.258
  671    HB2  SER 101           HB2      SER 101  14.718  -9.122  -2.569
  672    HB3  SER 101           HB3      SER 101  15.111  -7.497  -3.124
  673    HG   SER 101           HG       SER 101  16.599  -9.271  -1.589
  674    H    ALA 102           H        ALA 102  15.912  -6.748   0.616
  675    HA   ALA 102           HA       ALA 102  15.099  -4.126   0.986
  676    HB1  ALA 102           HB1      ALA 102  17.209  -3.763   2.113
  677    HB2  ALA 102           HB2      ALA 102  16.570  -5.356   2.519
  678    HB3  ALA 102           HB3      ALA 102  17.890  -5.204   1.356
  679    H    SER 103           H        SER 103  17.183  -5.445  -1.468
  680    HA   SER 103           HA       SER 103  18.490  -3.143  -2.342
  681    HB2  SER 103           HB2      SER 103  17.541  -5.403  -4.107
  682    HB3  SER 103           HB3      SER 103  18.947  -4.364  -4.347
  683    HG   SER 103           HG       SER 103  19.121  -6.623  -3.314
  684    H    GLU 104           H        GLU 104  15.315  -4.453  -3.270
  685    HA   GLU 104           HA       GLU 104  14.802  -2.135  -4.953
  686    HB2  GLU 104           HB2      GLU 104  13.174  -4.596  -4.319
  687    HB3  GLU 104           HB3      GLU 104  12.532  -3.248  -5.248
  688    HG2  GLU 104           HG2      GLU 104  14.280  -3.545  -6.910
  689    HG3  GLU 104           HG3      GLU 104  14.948  -4.885  -5.978
  690    H    ALA 105           H        ALA 105  14.262  -3.203  -1.746
  691    HA   ALA 105           HA       ALA 105  11.981  -1.738  -1.045
  692    HB1  ALA 105           HB1      ALA 105  14.355  -2.475   0.662
  693    HB2  ALA 105           HB2      ALA 105  12.786  -1.936   1.261
  694    HB3  ALA 105           HB3      ALA 105  12.919  -3.462   0.387
  695    H    GLY 106           H        GLY 106  15.380  -0.822  -1.224
  696    HA2  GLY 106           HA1      GLY 106  15.096   1.768  -0.106
  697    HA3  GLY 106           HA2      GLY 106  16.398   1.242  -1.162
  698    H    ASN 107           H        ASN 107  14.136   0.502  -3.132
  699    HA   ASN 107           HA       ASN 107  14.123   3.076  -4.485
  700    HB2  ASN 107           HB2      ASN 107  14.663   1.197  -5.872
  701    HB3  ASN 107           HB3      ASN 107  13.259   0.296  -5.309
  702   HD21  ASN 107          1HD2      ASN 107  11.234   0.753  -6.162
  703   HD22  ASN 107          2HD2      ASN 107  11.017   1.747  -7.561
  704    H    TYR 108           H        TYR 108  11.910   0.900  -2.883
  705    HA   TYR 108           HA       TYR 108   9.544   2.075  -3.983
  706    HB2  TYR 108           HB2      TYR 108   9.902   0.216  -1.634
  707    HB3  TYR 108           HB3      TYR 108   8.359   0.651  -2.357
  708    HD1  TYR 108           HD2      TYR 108   8.873   0.470  -5.209
  709    HD2  TYR 108           HD1      TYR 108  10.248  -2.026  -2.057
  710    HE1  TYR 108           HE2      TYR 108   9.070  -1.402  -6.785
  711    HE2  TYR 108           HE1      TYR 108  10.446  -3.905  -3.624
  712    HH   TYR 108           HH       TYR 108  10.307  -3.507  -6.995
  713    H    ASN 109           H        ASN 109   8.686   3.914  -3.405
  714    HA   ASN 109           HA       ASN 109   9.477   5.294  -0.999
  715    HB2  ASN 109           HB2      ASN 109   7.548   6.005  -3.215
  716    HB3  ASN 109           HB3      ASN 109   7.805   7.032  -1.809
  717   HD21  ASN 109          1HD2      ASN 109   8.988   6.056  -4.862
  718   HD22  ASN 109          2HD2      ASN 109  10.401   7.051  -4.883
  719    H    TYR 110           H        TYR 110   8.120   5.850   0.729
  720    HA   TYR 110           HA       TYR 110   5.501   4.556   0.779
  721    HB2  TYR 110           HB2      TYR 110   5.823   3.532   2.892
  722    HB3  TYR 110           HB3      TYR 110   7.213   3.086   1.921
  723    HD1  TYR 110           HD2      TYR 110   8.695   5.795   2.336
  724    HD2  TYR 110           HD1      TYR 110   6.793   3.080   4.987
  725    HE1  TYR 110           HE2      TYR 110  10.155   6.552   4.154
  726    HE2  TYR 110           HE1      TYR 110   8.257   3.824   6.811
  727    HH   TYR 110           HH       TYR 110  10.501   4.886   7.056
  728    H    ILE 111           H        ILE 111   4.017   5.540   2.318
  729    HA   ILE 111           HA       ILE 111   4.777   8.346   2.724
  730    HB   ILE 111           HB       ILE 111   2.395   8.906   2.506
  731   HG12  ILE 111          2HG1      ILE 111   2.080   5.962   1.860
  732   HG13  ILE 111          3HG1      ILE 111   1.387   6.802   3.240
  733   HG21  ILE 111          2HG2      ILE 111   3.871   8.992   0.572
  734   HG22  ILE 111          1HG2      ILE 111   2.245   8.508   0.089
  735   HG23  ILE 111          3HG2      ILE 111   3.525   7.301   0.216
  736   HD11  ILE 111          3HD1      ILE 111   0.053   8.179   1.680
  737   HD12  ILE 111          2HD1      ILE 111  -0.307   6.455   1.579
  738   HD13  ILE 111          1HD1      ILE 111   0.692   7.220   0.340
  739    H    HIS 112           H        HIS 112   4.550   9.301   4.630
  740    HA   HIS 112           HA       HIS 112   3.689   7.618   6.892
  741    HB2  HIS 112           HB2      HIS 112   6.117   9.130   6.374
  742    HB3  HIS 112           HB3      HIS 112   5.368   9.603   7.893
  743    HD1  HIS 112           HD1      HIS 112   5.277   7.845   9.772
  744    HD2  HIS 112           HD2      HIS 112   7.234   6.554   6.320
  745    HE1  HIS 112           HE1      HIS 112   6.515   5.766  10.445
  746    HE2  HIS 112           HE2      HIS 112   7.777   5.057   8.385
  747    H    ILE 113           H        ILE 113   2.508   8.532   8.545
  748    HA   ILE 113           HA       ILE 113   1.266  11.114   8.044
  749    HB   ILE 113           HB       ILE 113   0.881   9.105  10.277
  750   HG12  ILE 113          2HG1      ILE 113  -0.002   8.432   8.075
  751   HG13  ILE 113          3HG1      ILE 113  -1.290   8.707   9.243
  752   HG21  ILE 113          2HG2      ILE 113   0.492  11.339  11.142
  753   HG22  ILE 113          1HG2      ILE 113  -1.035  10.470  10.984
  754   HG23  ILE 113          3HG2      ILE 113  -0.587  11.695   9.795
  755   HD11  ILE 113          3HD1      ILE 113  -0.432  10.603   7.071
  756   HD12  ILE 113          2HD1      ILE 113  -1.707  10.903   8.253
  757   HD13  ILE 113          1HD1      ILE 113  -1.881   9.600   7.078
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1 -22.072   1.372  15.108
    2    H2   GLY   1           H2       GLY   1 -23.655   0.943  15.538
    3    H3   GLY   1           H3       GLY   1 -23.207   1.004  13.902
    4    HA2  GLY   1           HA2      GLY   1 -22.204  -0.910  15.932
    5    HA3  GLY   1           HA1      GLY   1 -23.321  -1.276  14.624
    6    H    SER   2           H        SER   2 -22.328  -0.291  12.417
    7    HA   SER   2           HA       SER   2 -20.012  -1.875  11.903
    8    HB2  SER   2           HB2      SER   2 -21.199   0.252  10.110
    9    HB3  SER   2           HB3      SER   2 -20.248  -1.155   9.628
   10    HG   SER   2           HG       SER   2 -21.972  -2.478  10.394
   11    H    SER   3           H        SER   3 -18.002  -1.288  12.445
   12    HA   SER   3           HA       SER   3 -17.398   1.580  12.629
   13    HB2  SER   3           HB2      SER   3 -16.997   0.151  14.639
   14    HB3  SER   3           HB3      SER   3 -15.805  -0.757  13.712
   15    HG   SER   3           HG       SER   3 -14.689   0.773  14.832
   16    H    ILE   4           H        ILE   4 -17.041   2.024  10.467
   17    HA   ILE   4           HA       ILE   4 -14.723   0.674   9.240
   18    HB   ILE   4           HB       ILE   4 -16.913   2.254   7.876
   19   HG12  ILE   4          2HG1      ILE   4 -17.723   0.089   8.690
   20   HG13  ILE   4          3HG1      ILE   4 -17.614   0.091   6.935
   21   HG21  ILE   4          2HG2      ILE   4 -14.806   2.467   6.703
   22   HG22  ILE   4          1HG2      ILE   4 -15.897   1.429   5.786
   23   HG23  ILE   4          3HG2      ILE   4 -14.587   0.718   6.729
   24   HD11  ILE   4          3HD1      ILE   4 -16.841  -2.010   7.856
   25   HD12  ILE   4          2HD1      ILE   4 -15.638  -1.163   8.829
   26   HD13  ILE   4          1HD1      ILE   4 -15.515  -1.153   7.070
   27    H    SER   5           H        SER   5 -16.290   3.772   9.834
   28    HA   SER   5           HA       SER   5 -15.482   5.850  10.216
   29    HB2  SER   5           HB2      SER   5 -13.682   4.693  11.508
   30    HB3  SER   5           HB3      SER   5 -12.707   4.648  10.042
   31    HG   SER   5           HG       SER   5 -13.666   6.969  11.382
   32    H    HIS   6           H        HIS   6 -14.740   7.672   9.060
   33    HA   HIS   6           HA       HIS   6 -14.214   8.929   7.243
   34    HB2  HIS   6           HB2      HIS   6 -12.591   6.474   6.574
   35    HB3  HIS   6           HB3      HIS   6 -12.553   7.938   5.597
   36    HD1  HIS   6           HD1      HIS   6 -12.003   7.023   9.269
   37    HD2  HIS   6           HD2      HIS   6 -10.611   9.636   6.351
   38    HE1  HIS   6           HE1      HIS   6 -10.125   8.301  10.345
   39    HE2  HIS   6           HE2      HIS   6  -9.437  10.006   8.621
   40    H    SER   7           H        SER   7 -16.470   6.874   7.213
   41    HA   SER   7           HA       SER   7 -18.126   6.166   5.832
   42    HB2  SER   7           HB2      SER   7 -16.963   8.212   3.929
   43    HB3  SER   7           HB3      SER   7 -18.557   7.468   3.793
   44    HG   SER   7           HG       SER   7 -18.981   9.302   4.842
   45    H    GLY   8           H        GLY   8 -15.309   5.050   5.655
   46    HA2  GLY   8           HA1      GLY   8 -14.798   2.989   4.566
   47    HA3  GLY   8           HA2      GLY   8 -15.760   3.517   3.190
   48    H    ASN   9           H        ASN   9 -14.118   3.184   1.697
   49    HA   ASN   9           HA       ASN   9 -11.916   5.125   1.865
   50    HB2  ASN   9           HB2      ASN   9 -11.141   2.812   2.325
   51    HB3  ASN   9           HB3      ASN   9 -11.745   2.322   0.749
   52   HD21  ASN   9          1HD2      ASN   9  -9.712   1.647   0.176
   53   HD22  ASN   9          2HD2      ASN   9  -8.458   2.748  -0.272
   54    H    LEU  10           H        LEU  10 -14.624   4.540   0.386
   55    HA   LEU  10           HA       LEU  10 -15.614   5.149  -1.571
   56    HB2  LEU  10           HB2      LEU  10 -13.020   6.570  -2.154
   57    HB3  LEU  10           HB3      LEU  10 -14.582   6.908  -2.872
   58    HG   LEU  10           HG       LEU  10 -13.978   7.278   0.064
   59   HD11  LEU  10          2HD1      LEU  10 -14.006   9.325  -2.155
   60   HD12  LEU  10          1HD1      LEU  10 -12.581   8.770  -1.276
   61   HD13  LEU  10          3HD1      LEU  10 -13.841   9.671  -0.434
   62   HD21  LEU  10          3HD2      LEU  10 -16.254   8.220  -1.676
   63   HD22  LEU  10          2HD2      LEU  10 -16.024   8.621   0.027
   64   HD23  LEU  10          1HD2      LEU  10 -16.335   6.953  -0.453
   65    H    TYR  11           H        TYR  11 -13.185   2.979  -1.509
   66    HA   TYR  11           HA       TYR  11 -12.803   2.862  -4.406
   67    HB2  TYR  11           HB2      TYR  11 -11.025   2.559  -2.253
   68    HB3  TYR  11           HB3      TYR  11 -11.203   0.963  -2.956
   69    HD1  TYR  11           HD2      TYR  11 -10.710   0.657  -5.414
   70    HD2  TYR  11           HD1      TYR  11  -9.738   4.228  -3.325
   71    HE1  TYR  11           HE2      TYR  11  -9.164   1.275  -7.217
   72    HE2  TYR  11           HE1      TYR  11  -8.185   4.859  -5.129
   73    HH   TYR  11           HH       TYR  11  -8.101   3.218  -8.145
   74    H    THR  12           H        THR  12 -12.338   0.525  -5.123
   75    HA   THR  12           HA       THR  12 -14.862  -0.814  -4.968
   76    HB   THR  12           HB       THR  12 -12.431  -1.971  -6.301
   77    HG1  THR  12           HG1      THR  12 -14.067   0.154  -7.289
   78   HG21  THR  12          3HG2      THR  12 -15.326  -1.891  -7.147
   79   HG22  THR  12          1HG2      THR  12 -14.581  -3.225  -6.263
   80   HG23  THR  12          2HG2      THR  12 -14.027  -2.825  -7.889
   81    H    ALA  13           H        ALA  13 -15.275  -2.866  -4.185
   82    HA   ALA  13           HA       ALA  13 -14.176  -3.597  -1.767
   83    HB1  ALA  13           HB1      ALA  13 -16.386  -4.297  -2.504
   84    HB2  ALA  13           HB2      ALA  13 -15.658  -5.345  -3.723
   85    HB3  ALA  13           HB3      ALA  13 -15.421  -5.688  -2.009
   86    H    GLY  14           H        GLY  14 -12.145  -4.179  -1.406
   87    HA2  GLY  14           HA1      GLY  14 -10.349  -5.623  -1.342
   88    HA3  GLY  14           HA2      GLY  14 -11.167  -6.626  -2.528
   89    H    GLN  15           H        GLN  15 -10.226  -3.217  -2.801
   90    HA   GLN  15           HA       GLN  15  -8.632  -3.859  -5.161
   91    HB2  GLN  15           HB2      GLN  15  -9.597  -1.319  -3.899
   92    HB3  GLN  15           HB3      GLN  15  -8.233  -1.268  -5.008
   93    HG2  GLN  15           HG2      GLN  15 -10.904  -2.452  -5.686
   94    HG3  GLN  15           HG3      GLN  15 -10.443  -0.785  -6.038
   95   HE21  GLN  15          1HE2      GLN  15 -10.039  -4.105  -6.873
   96   HE22  GLN  15          2HE2      GLN  15  -9.075  -3.857  -8.284
   97    H    CYS  16           H        CYS  16  -6.425  -3.085  -5.394
   98    HA   CYS  16           HA       CYS  16  -4.700  -3.759  -3.314
   99    HB2  CYS  16           HB2      CYS  16  -2.979  -2.421  -4.625
  100    HB3  CYS  16           HB3      CYS  16  -3.805  -3.705  -5.503
  101    HG   CYS  16           HG       CYS  16  -4.395  -2.191  -7.473
  102    H    THR  17           H        THR  17  -5.676  -0.519  -4.376
  103    HA   THR  17           HA       THR  17  -4.325   0.797  -2.214
  104    HB   THR  17           HB       THR  17  -5.725   2.786  -2.972
  105    HG1  THR  17           HG1      THR  17  -6.633   2.326  -5.169
  106   HG21  THR  17          3HG2      THR  17  -3.453   2.457  -3.781
  107   HG22  THR  17          1HG2      THR  17  -4.481   3.049  -5.085
  108   HG23  THR  17          2HG2      THR  17  -4.034   1.344  -5.021
  109    H    TRP  18           H        TRP  18  -7.352  -0.737  -2.615
  110    HA   TRP  18           HA       TRP  18  -8.764   0.691  -0.602
  111    HB2  TRP  18           HB2      TRP  18  -9.903  -0.516  -2.431
  112    HB3  TRP  18           HB3      TRP  18  -9.330  -2.039  -1.763
  113    HD1  TRP  18           HD1      TRP  18 -11.913   0.709  -1.178
  114    HE1  TRP  18           HE1      TRP  18 -13.638  -0.132   0.532
  115    HE3  TRP  18           HE3      TRP  18  -9.625  -3.641   0.222
  116    HZ2  TRP  18           HZ2      TRP  18 -13.989  -2.339   2.255
  117    HZ3  TRP  18           HZ3      TRP  18 -10.723  -5.056   1.906
  118    HH2  TRP  18           HH2      TRP  18 -12.858  -4.420   2.901
  119    H    TYR  19           H        TYR  19  -7.119  -2.450  -0.762
  120    HA   TYR  19           HA       TYR  19  -7.782  -3.295   1.847
  121    HB2  TYR  19           HB2      TYR  19  -7.005  -4.769   0.022
  122    HB3  TYR  19           HB3      TYR  19  -5.399  -4.067   0.161
  123    HD1  TYR  19           HD2      TYR  19  -7.959  -5.646   2.387
  124    HD2  TYR  19           HD1      TYR  19  -3.848  -5.297   1.340
  125    HE1  TYR  19           HE2      TYR  19  -7.397  -7.360   4.055
  126    HE2  TYR  19           HE1      TYR  19  -3.278  -7.016   3.007
  127    HH   TYR  19           HH       TYR  19  -4.149  -8.032   4.977
  128    H    VAL  20           H        VAL  20  -5.030  -1.505   0.576
  129    HA   VAL  20           HA       VAL  20  -3.410  -1.490   2.842
  130    HB   VAL  20           HB       VAL  20  -3.774   0.634   0.724
  131   HG11  VAL  20          2HG1      VAL  20  -1.577   1.480   1.432
  132   HG12  VAL  20          1HG1      VAL  20  -1.593   0.351   2.787
  133   HG13  VAL  20          3HG1      VAL  20  -2.790   1.642   2.701
  134   HG21  VAL  20          3HG2      VAL  20  -1.731  -0.329  -0.222
  135   HG22  VAL  20          2HG2      VAL  20  -3.021  -1.528  -0.119
  136   HG23  VAL  20          1HG2      VAL  20  -1.710  -1.541   1.060
  137    H    TYR  21           H        TYR  21  -6.093   0.618   1.945
  138    HA   TYR  21           HA       TYR  21  -5.816   2.411   4.137
  139    HB2  TYR  21           HB2      TYR  21  -7.009   2.796   1.915
  140    HB3  TYR  21           HB3      TYR  21  -8.342   1.866   2.582
  141    HD1  TYR  21           HD1      TYR  21  -6.278   4.894   3.163
  142    HD2  TYR  21           HD2      TYR  21  -9.963   2.895   3.899
  143    HE1  TYR  21           HE1      TYR  21  -7.197   6.951   4.132
  144    HE2  TYR  21           HE2      TYR  21 -10.893   4.947   4.869
  145    HH   TYR  21           HH       TYR  21  -9.518   7.955   4.462
  146    H    ASP  22           H        ASP  22  -7.680  -0.510   3.544
  147    HA   ASP  22           HA       ASP  22  -9.202  -0.508   5.917
  148    HB2  ASP  22           HB2      ASP  22  -9.851  -1.990   4.167
  149    HB3  ASP  22           HB3      ASP  22  -8.254  -2.724   4.099
  150    H    LYS  23           H        LYS  23  -6.058  -1.941   5.131
  151    HA   LYS  23           HA       LYS  23  -5.637  -3.184   7.617
  152    HB2  LYS  23           HB2      LYS  23  -3.786  -2.341   5.410
  153    HB3  LYS  23           HB3      LYS  23  -3.180  -3.102   6.874
  154    HG2  LYS  23           HG2      LYS  23  -5.293  -4.335   5.125
  155    HG3  LYS  23           HG3      LYS  23  -3.566  -4.639   4.931
  156    HD2  LYS  23           HD2      LYS  23  -5.014  -5.088   7.533
  157    HD3  LYS  23           HD3      LYS  23  -4.858  -6.340   6.298
  158    HE2  LYS  23           HE2      LYS  23  -2.448  -6.235   6.443
  159    HE3  LYS  23           HE3      LYS  23  -2.542  -4.882   7.569
  160    HZ1  LYS  23           HZ1      LYS  23  -2.125  -7.144   8.558
  161    HZ2  LYS  23           HZ2      LYS  23  -3.735  -7.529   8.168
  162    HZ3  LYS  23           HZ3      LYS  23  -3.403  -6.258   9.243
  163    H    VAL  24           H        VAL  24  -4.853   0.084   6.503
  164    HA   VAL  24           HA       VAL  24  -3.455   0.667   8.972
  165    HB   VAL  24           HB       VAL  24  -3.257   2.964   8.173
  166   HG11  VAL  24          2HG1      VAL  24  -1.632   1.311   7.411
  167   HG12  VAL  24          1HG1      VAL  24  -1.902   2.557   6.192
  168   HG13  VAL  24          3HG1      VAL  24  -2.640   0.966   6.005
  169   HG21  VAL  24          3HG2      VAL  24  -5.422   3.215   7.092
  170   HG22  VAL  24          2HG2      VAL  24  -4.942   2.073   5.836
  171   HG23  VAL  24          1HG2      VAL  24  -4.121   3.627   5.974
  172    H    GLY  25           H        GLY  25  -6.646   0.354   8.165
  173    HA2  GLY  25           HA1      GLY  25  -8.573   0.833   9.323
  174    HA3  GLY  25           HA2      GLY  25  -7.555   1.405  10.638
  175    H    GLY  26           H        GLY  26  -7.682   2.633   7.328
  176    HA2  GLY  26           HA1      GLY  26  -8.332   4.670   6.482
  177    HA3  GLY  26           HA2      GLY  26  -9.375   4.842   7.885
  178    H    GLU  27           H        GLU  27  -6.051   4.315   8.518
  179    HA   GLU  27           HA       GLU  27  -5.823   6.709   9.977
  180    HB2  GLU  27           HB2      GLU  27  -4.579   4.635  10.487
  181    HB3  GLU  27           HB3      GLU  27  -3.614   4.882   9.040
  182    HG2  GLU  27           HG2      GLU  27  -2.625   6.842   9.938
  183    HG3  GLU  27           HG3      GLU  27  -3.747   6.857  11.298
  184    H    ILE  28           H        ILE  28  -4.378   5.732   6.876
  185    HA   ILE  28           HA       ILE  28  -4.110   8.586   6.239
  186    HB   ILE  28           HB       ILE  28  -1.926   8.521   5.670
  187   HG12  ILE  28          2HG1      ILE  28  -2.420   6.875   3.795
  188   HG13  ILE  28          3HG1      ILE  28  -0.783   6.837   4.441
  189   HG21  ILE  28          2HG2      ILE  28  -1.863   7.704   7.935
  190   HG22  ILE  28          1HG2      ILE  28  -0.559   6.970   6.999
  191   HG23  ILE  28          3HG2      ILE  28  -2.012   6.040   7.370
  192   HD11  ILE  28          3HD1      ILE  28  -1.476   4.864   5.819
  193   HD12  ILE  28          2HD1      ILE  28  -1.492   4.600   4.071
  194   HD13  ILE  28          1HD1      ILE  28  -3.007   4.873   4.937
  195    H    GLY  29           H        GLY  29  -4.715   9.152   4.158
  196    HA2  GLY  29           HA1      GLY  29  -4.303   8.472   1.817
  197    HA3  GLY  29           HA2      GLY  29  -4.926   6.897   2.260
  198    H    SER  30           H        SER  30  -6.616   6.640   1.050
  199    HA   SER  30           HA       SER  30  -8.547   6.834  -0.032
  200    HB2  SER  30           HB2      SER  30 -10.432   8.033   0.960
  201    HB3  SER  30           HB3      SER  30  -9.571   7.089   2.168
  202    HG   SER  30           HG       SER  30  -8.425   9.243   2.513
  203    H    THR  31           H        THR  31  -7.216  10.017   0.751
  204    HA   THR  31           HA       THR  31  -8.316  11.103  -1.719
  205    HB   THR  31           HB       THR  31  -8.393  12.482   0.318
  206    HG1  THR  31           HG1      THR  31  -6.790  13.399  -1.840
  207   HG21  THR  31          3HG2      THR  31  -5.379  12.448   0.160
  208   HG22  THR  31          1HG2      THR  31  -6.364  11.690   1.413
  209   HG23  THR  31          2HG2      THR  31  -6.339  13.446   1.253
  210    H    TRP  32           H        TRP  32  -5.944   9.078  -1.331
  211    HA   TRP  32           HA       TRP  32  -3.755  10.542  -2.534
  212    HB2  TRP  32           HB2      TRP  32  -2.532   8.404  -2.418
  213    HB3  TRP  32           HB3      TRP  32  -3.206   8.874  -0.863
  214    HD1  TRP  32           HD1      TRP  32  -5.211   7.118  -3.614
  215    HE1  TRP  32           HE1      TRP  32  -5.985   4.855  -2.742
  216    HE3  TRP  32           HE3      TRP  32  -2.698   7.101   0.822
  217    HZ2  TRP  32           HZ2      TRP  32  -5.588   3.232  -0.455
  218    HZ3  TRP  32           HZ3      TRP  32  -2.946   5.140   2.307
  219    HH2  TRP  32           HH2      TRP  32  -4.362   3.249   1.679
  220    H    GLY  33           H        GLY  33  -6.520   9.166  -3.727
  221    HA2  GLY  33           HA1      GLY  33  -7.137   8.836  -5.951
  222    HA3  GLY  33           HA2      GLY  33  -5.460   9.125  -6.399
  223    H    ASN  34           H        ASN  34  -4.465   7.481  -7.253
  224    HA   ASN  34           HA       ASN  34  -5.063   4.799  -6.245
  225    HB2  ASN  34           HB2      ASN  34  -4.593   3.977  -8.569
  226    HB3  ASN  34           HB3      ASN  34  -6.070   4.918  -8.419
  227   HD21  ASN  34          1HD2      ASN  34  -2.836   4.858  -9.664
  228   HD22  ASN  34          2HD2      ASN  34  -3.000   6.218 -10.715
  229    H    ALA  35           H        ALA  35  -3.185   3.283  -7.009
  230    HA   ALA  35           HA       ALA  35  -1.067   3.912  -5.380
  231    HB1  ALA  35           HB1      ALA  35   0.057   1.991  -6.314
  232    HB2  ALA  35           HB2      ALA  35  -1.662   1.657  -6.107
  233    HB3  ALA  35           HB3      ALA  35  -1.018   2.012  -7.712
  234    H    ASN  36           H        ASN  36  -1.098   4.102  -8.922
  235    HA   ASN  36           HA       ASN  36   1.498   4.869  -9.410
  236    HB2  ASN  36           HB2      ASN  36  -0.082   4.271 -11.153
  237    HB3  ASN  36           HB3      ASN  36  -1.033   5.714 -10.828
  238   HD21  ASN  36          1HD2      ASN  36   1.875   4.458 -12.250
  239   HD22  ASN  36          2HD2      ASN  36   2.278   5.880 -13.142
  240    H    ASN  37           H        ASN  37  -1.133   6.840  -8.207
  241    HA   ASN  37           HA       ASN  37   0.443   9.283  -8.621
  242    HB2  ASN  37           HB2      ASN  37  -1.882   9.156  -9.527
  243    HB3  ASN  37           HB3      ASN  37  -2.480   8.973  -7.884
  244   HD21  ASN  37          1HD2      ASN  37  -2.737  10.746  -6.634
  245   HD22  ASN  37          2HD2      ASN  37  -2.420  12.368  -7.161
  246    H    TRP  38           H        TRP  38   0.359   7.057  -6.371
  247    HA   TRP  38           HA       TRP  38  -0.568   8.075  -3.990
  248    HB2  TRP  38           HB2      TRP  38   1.281   5.991  -4.782
  249    HB3  TRP  38           HB3      TRP  38   1.745   6.746  -3.253
  250    HD1  TRP  38           HD1      TRP  38  -1.826   5.929  -4.522
  251    HE1  TRP  38           HE1      TRP  38  -2.957   4.488  -2.740
  252    HE3  TRP  38           HE3      TRP  38   2.112   5.415  -1.330
  253    HZ2  TRP  38           HZ2      TRP  38  -2.243   3.278  -0.230
  254    HZ3  TRP  38           HZ3      TRP  38   1.821   4.105   0.723
  255    HH2  TRP  38           HH2      TRP  38  -0.297   3.060   1.254
  256    H    ALA  39           H        ALA  39   2.854   8.241  -5.007
  257    HA   ALA  39           HA       ALA  39   3.729   9.678  -2.808
  258    HB1  ALA  39           HB1      ALA  39   5.253   8.567  -4.344
  259    HB2  ALA  39           HB2      ALA  39   4.863   9.745  -5.600
  260    HB3  ALA  39           HB3      ALA  39   5.694  10.262  -4.133
  261    H    ALA  40           H        ALA  40   2.359  10.869  -5.828
  262    HA   ALA  40           HA       ALA  40   2.872  13.616  -5.331
  263    HB1  ALA  40           HB1      ALA  40   2.432  12.741  -7.569
  264    HB2  ALA  40           HB2      ALA  40   0.782  12.344  -7.092
  265    HB3  ALA  40           HB3      ALA  40   1.300  14.027  -7.148
  266    H    ALA  41           H        ALA  41  -0.083  11.646  -5.000
  267    HA   ALA  41           HA       ALA  41  -1.672  13.749  -3.968
  268    HB1  ALA  41           HB1      ALA  41  -3.294  12.011  -3.417
  269    HB2  ALA  41           HB2      ALA  41  -2.644  11.778  -5.037
  270    HB3  ALA  41           HB3      ALA  41  -2.080  10.764  -3.706
  271    H    ALA  42           H        ALA  42   0.164  11.156  -2.433
  272    HA   ALA  42           HA       ALA  42  -0.676  11.550   0.216
  273    HB1  ALA  42           HB1      ALA  42   1.979  10.547  -0.812
  274    HB2  ALA  42           HB2      ALA  42   1.386  10.377   0.841
  275    HB3  ALA  42           HB3      ALA  42   0.545   9.572  -0.484
  276    H    GLN  43           H        GLN  43   2.138  12.883  -1.543
  277    HA   GLN  43           HA       GLN  43   3.159  14.420   0.580
  278    HB2  GLN  43           HB2      GLN  43   3.422  14.690  -2.409
  279    HB3  GLN  43           HB3      GLN  43   4.227  15.786  -1.297
  280    HG2  GLN  43           HG2      GLN  43   5.431  13.916  -0.309
  281    HG3  GLN  43           HG3      GLN  43   4.595  12.802  -1.389
  282   HE21  GLN  43          1HE2      GLN  43   6.573  12.102  -2.215
  283   HE22  GLN  43          2HE2      GLN  43   7.483  13.053  -3.342
  284    H    GLY  44           H        GLY  44   0.929  15.275  -2.054
  285    HA2  GLY  44           HA1      GLY  44   0.585  17.975  -1.351
  286    HA3  GLY  44           HA2      GLY  44  -0.566  17.005  -2.259
  287    H    ALA  45           H        ALA  45  -0.986  15.058  -0.186
  288    HA   ALA  45           HA       ALA  45  -3.013  16.418   1.306
  289    HB1  ALA  45           HB1      ALA  45  -3.530  14.236   2.231
  290    HB2  ALA  45           HB2      ALA  45  -3.304  14.122   0.485
  291    HB3  ALA  45           HB3      ALA  45  -2.027  13.584   1.578
  292    H    GLY  46           H        GLY  46   0.297  15.812   1.838
  293    HA2  GLY  46           HA1      GLY  46   1.376  17.063   3.589
  294    HA3  GLY  46           HA2      GLY  46  -0.039  16.796   4.593
  295    H    PHE  47           H        PHE  47   0.929  14.019   2.872
  296    HA   PHE  47           HA       PHE  47   1.695  12.717   5.323
  297    HB2  PHE  47           HB2      PHE  47   1.856  11.679   2.487
  298    HB3  PHE  47           HB3      PHE  47   2.067  10.717   3.937
  299    HD1  PHE  47           HD1      PHE  47  -0.510  12.971   4.635
  300    HD2  PHE  47           HD2      PHE  47   0.337   9.460   2.391
  301    HE1  PHE  47           HE1      PHE  47  -2.907  12.419   4.589
  302    HE2  PHE  47           HE2      PHE  47  -2.053   8.898   2.332
  303    HZ   PHE  47           HZ       PHE  47  -3.679  10.389   3.433
  304    H    THR  48           H        THR  48   3.702  11.771   5.764
  305    HA   THR  48           HA       THR  48   5.984  13.118   4.575
  306    HB   THR  48           HB       THR  48   5.936  11.060   6.795
  307    HG1  THR  48           HG1      THR  48   4.878  12.730   7.700
  308   HG21  THR  48          3HG2      THR  48   8.125  11.342   5.730
  309   HG22  THR  48          1HG2      THR  48   8.129  11.993   7.369
  310   HG23  THR  48          2HG2      THR  48   8.029  13.085   5.988
  311    H    VAL  49           H        VAL  49   6.538  12.285   2.647
  312    HA   VAL  49           HA       VAL  49   6.288   9.397   2.227
  313    HB   VAL  49           HB       VAL  49   6.771  11.591   0.203
  314   HG11  VAL  49          2HG1      VAL  49   7.675   9.465  -0.549
  315   HG12  VAL  49          1HG1      VAL  49   6.220   9.864  -1.464
  316   HG13  VAL  49          3HG1      VAL  49   6.151   8.661  -0.175
  317   HG21  VAL  49          3HG2      VAL  49   4.435  11.198  -0.457
  318   HG22  VAL  49          2HG2      VAL  49   4.564  11.776   1.205
  319   HG23  VAL  49          1HG2      VAL  49   4.256  10.070   0.887
  320    H    ASN  50           H        ASN  50   8.023   8.229   2.574
  321    HA   ASN  50           HA       ASN  50  10.631   9.240   1.682
  322    HB2  ASN  50           HB2      ASN  50  10.194   7.259   3.939
  323    HB3  ASN  50           HB3      ASN  50  11.702   8.033   3.482
  324   HD21  ASN  50          1HD2      ASN  50  10.277   7.884   6.020
  325   HD22  ASN  50          2HD2      ASN  50  10.078   9.530   6.532
  326    H    HIS  51           H        HIS  51  11.716   6.554   2.270
  327    HA   HIS  51           HA       HIS  51  10.076   4.720   0.814
  328    HB2  HIS  51           HB2      HIS  51  11.829   4.184  -0.922
  329    HB3  HIS  51           HB3      HIS  51  11.041   5.738  -1.126
  330    HD1  HIS  51           HD1      HIS  51  13.285   6.035  -2.677
  331    HD2  HIS  51           HD2      HIS  51  13.797   6.121   1.450
  332    HE1  HIS  51           HE1      HIS  51  15.518   7.120  -2.286
  333    HE2  HIS  51           HE2      HIS  51  15.727   7.312   0.216
  334    H    THR  52           H        THR  52  10.278   3.889   2.952
  335    HA   THR  52           HA       THR  52  12.282   1.835   3.123
  336    HB   THR  52           HB       THR  52  12.081   3.900   5.345
  337    HG1  THR  52           HG1      THR  52  13.670   3.733   3.136
  338   HG21  THR  52          3HG2      THR  52  12.462   1.651   6.208
  339   HG22  THR  52          1HG2      THR  52  13.927   2.619   6.368
  340   HG23  THR  52          2HG2      THR  52  13.798   1.421   5.080
  341    HA   PRO  53           HA       PRO  53   8.128   0.530   4.483
  342    HB2  PRO  53           HB2      PRO  53   8.601  -2.137   4.062
  343    HB3  PRO  53           HB3      PRO  53   8.069  -1.019   2.799
  344    HG2  PRO  53           HG2      PRO  53  10.830  -1.993   3.427
  345    HG3  PRO  53           HG3      PRO  53  10.040  -1.814   1.849
  346    HD2  PRO  53           HD2      PRO  53  11.794  -0.001   2.750
  347    HD3  PRO  53           HD3      PRO  53  10.365   0.471   1.801
  348    H    SER  54           H        SER  54   7.369  -0.405   6.308
  349    HA   SER  54           HA       SER  54   8.828  -2.089   8.042
  350    HB2  SER  54           HB2      SER  54   9.948   0.115   8.540
  351    HB3  SER  54           HB3      SER  54   8.380   0.744   9.043
  352    HG   SER  54           HG       SER  54   9.038   0.007  10.921
  353    H    LYS  55           H        LYS  55   7.460  -2.250  10.193
  354    HA   LYS  55           HA       LYS  55   4.918  -3.075   9.490
  355    HB2  LYS  55           HB2      LYS  55   6.046  -3.775  11.559
  356    HB3  LYS  55           HB3      LYS  55   5.858  -2.157  12.220
  357    HG2  LYS  55           HG2      LYS  55   3.355  -2.495  11.924
  358    HG3  LYS  55           HG3      LYS  55   3.731  -4.194  11.649
  359    HD2  LYS  55           HD2      LYS  55   4.382  -2.597  14.125
  360    HD3  LYS  55           HD3      LYS  55   3.117  -3.815  13.969
  361    HE2  LYS  55           HE2      LYS  55   4.897  -5.480  13.433
  362    HE3  LYS  55           HE3      LYS  55   6.095  -4.240  13.808
  363    HZ1  LYS  55           HZ1      LYS  55   4.088  -5.409  15.659
  364    HZ2  LYS  55           HZ2      LYS  55   5.062  -4.079  16.045
  365    HZ3  LYS  55           HZ3      LYS  55   5.775  -5.588  15.734
  366    H    GLY  56           H        GLY  56   3.259  -1.917   8.750
  367    HA2  GLY  56           HA1      GLY  56   1.444  -0.440   9.195
  368    HA3  GLY  56           HA2      GLY  56   2.509   0.515  10.216
  369    H    ALA  57           H        ALA  57   4.338  -0.134   7.631
  370    HA   ALA  57           HA       ALA  57   3.718   2.427   6.377
  371    HB1  ALA  57           HB1      ALA  57   6.035   2.059   6.883
  372    HB2  ALA  57           HB2      ALA  57   6.017   0.518   6.023
  373    HB3  ALA  57           HB3      ALA  57   5.829   2.024   5.129
  374    H    ILE  58           H        ILE  58   4.487   2.104   3.816
  375    HA   ILE  58           HA       ILE  58   2.827  -0.057   2.740
  376    HB   ILE  58           HB       ILE  58   2.763   2.458   1.219
  377   HG12  ILE  58          2HG1      ILE  58   2.431   3.104   3.686
  378   HG13  ILE  58          3HG1      ILE  58   1.184   3.579   2.552
  379   HG21  ILE  58          2HG2      ILE  58   0.693   0.397   1.977
  380   HG22  ILE  58          1HG2      ILE  58   1.634   0.418   0.489
  381   HG23  ILE  58          3HG2      ILE  58   0.468   1.700   0.812
  382   HD11  ILE  58          3HD1      ILE  58   0.235   2.777   4.629
  383   HD12  ILE  58          2HD1      ILE  58   1.053   1.230   4.417
  384   HD13  ILE  58          1HD1      ILE  58  -0.207   1.725   3.285
  385    H    LEU  59           H        LEU  59   3.121   0.327   0.110
  386    HA   LEU  59           HA       LEU  59   5.997   0.574  -0.435
  387    HB2  LEU  59           HB2      LEU  59   4.959  -1.838  -0.237
  388    HB3  LEU  59           HB3      LEU  59   4.305  -1.470  -1.822
  389    HG   LEU  59           HG       LEU  59   6.725  -0.952  -2.498
  390   HD11  LEU  59          2HD1      LEU  59   8.418  -2.155  -1.181
  391   HD12  LEU  59          1HD1      LEU  59   7.199  -2.498   0.045
  392   HD13  LEU  59          3HD1      LEU  59   7.676  -0.832  -0.283
  393   HD21  LEU  59          3HD2      LEU  59   5.906  -3.770  -1.818
  394   HD22  LEU  59          2HD2      LEU  59   7.151  -3.303  -2.976
  395   HD23  LEU  59          1HD2      LEU  59   5.466  -2.882  -3.277
  396    H    GLN  60           H        GLN  60   6.340   0.845  -2.875
  397    HA   GLN  60           HA       GLN  60   4.060   1.662  -4.424
  398    HB2  GLN  60           HB2      GLN  60   4.233   3.718  -3.288
  399    HB3  GLN  60           HB3      GLN  60   5.988   3.682  -3.305
  400    HG2  GLN  60           HG2      GLN  60   5.230   5.357  -4.820
  401    HG3  GLN  60           HG3      GLN  60   5.943   4.034  -5.747
  402   HE21  GLN  60          1HE2      GLN  60   4.087   6.078  -6.615
  403   HE22  GLN  60          2HE2      GLN  60   2.670   5.269  -7.173
  404    H    SER  61           H        SER  61   4.373   1.362  -6.480
  405    HA   SER  61           HA       SER  61   7.056   1.652  -7.614
  406    HB2  SER  61           HB2      SER  61   6.573  -0.781  -7.403
  407    HB3  SER  61           HB3      SER  61   5.106  -0.555  -8.353
  408    HG   SER  61           HG       SER  61   7.360  -1.182  -9.339
  409    H    SER  62           H        SER  62   7.056   2.683  -9.604
  410    HA   SER  62           HA       SER  62   4.811   4.378 -10.031
  411    HB2  SER  62           HB2      SER  62   7.269   4.037 -11.760
  412    HB3  SER  62           HB3      SER  62   6.162   5.409 -11.770
  413    HG   SER  62           HG       SER  62   7.386   6.219 -10.272
  414    H    GLU  63           H        GLU  63   5.666   1.309 -11.287
  415    HA   GLU  63           HA       GLU  63   4.082   1.763 -13.710
  416    HB2  GLU  63           HB2      GLU  63   5.111  -0.382 -14.494
  417    HB3  GLU  63           HB3      GLU  63   6.240   0.941 -14.240
  418    HG2  GLU  63           HG2      GLU  63   6.832  -0.035 -12.051
  419    HG3  GLU  63           HG3      GLU  63   5.769  -1.398 -12.409
  420    H    GLY  64           H        GLY  64   3.203  -0.619 -14.432
  421    HA2  GLY  64           HA1      GLY  64   1.957  -2.527 -13.513
  422    HA3  GLY  64           HA2      GLY  64   1.460  -1.460 -12.203
  423    HA   PRO  65           HA       PRO  65  -1.863  -1.190 -15.415
  424    HB2  PRO  65           HB2      PRO  65  -3.953  -1.652 -13.778
  425    HB3  PRO  65           HB3      PRO  65  -3.015  -2.970 -14.492
  426    HG2  PRO  65           HG2      PRO  65  -2.861  -1.811 -11.737
  427    HG3  PRO  65           HG3      PRO  65  -2.805  -3.509 -12.242
  428    HD2  PRO  65           HD2      PRO  65  -0.585  -2.034 -11.617
  429    HD3  PRO  65           HD3      PRO  65  -0.567  -3.415 -12.734
  430    H    PHE  66           H        PHE  66  -1.505   0.032 -12.180
  431    HA   PHE  66           HA       PHE  66  -1.863   2.731 -12.951
  432    HB2  PHE  66           HB2      PHE  66  -3.827   3.201 -11.461
  433    HB3  PHE  66           HB3      PHE  66  -4.224   2.271 -12.898
  434    HD1  PHE  66           HD1      PHE  66  -4.841  -0.072 -12.722
  435    HD2  PHE  66           HD2      PHE  66  -4.010   2.252  -9.270
  436    HE1  PHE  66           HE1      PHE  66  -5.927  -1.780 -11.319
  437    HE2  PHE  66           HE2      PHE  66  -5.094   0.558  -7.854
  438    HZ   PHE  66           HZ       PHE  66  -6.053  -1.465  -8.878
  439    H    GLY  67           H        GLY  67   0.060   1.046 -11.676
  440    HA2  GLY  67           HA1      GLY  67   1.658   1.955 -10.116
  441    HA3  GLY  67           HA2      GLY  67   0.311   2.513  -9.134
  442    H    HIS  68           H        HIS  68   2.081   1.253  -7.722
  443    HA   HIS  68           HA       HIS  68   0.812  -1.316  -7.112
  444    HB2  HIS  68           HB2      HIS  68   2.849  -1.711  -8.578
  445    HB3  HIS  68           HB3      HIS  68   3.814  -1.019  -7.272
  446    HD1  HIS  68           HD1      HIS  68   4.274  -3.919  -8.214
  447    HD2  HIS  68           HD2      HIS  68   1.768  -2.859  -5.065
  448    HE1  HIS  68           HE1      HIS  68   4.088  -5.970  -6.769
  449    HE2  HIS  68           HE2      HIS  68   2.348  -5.380  -5.032
  450    H    VAL  69           H        VAL  69  -0.011  -0.393  -5.150
  451    HA   VAL  69           HA       VAL  69   2.143   0.151  -3.224
  452    HB   VAL  69           HB       VAL  69   0.559   1.487  -1.914
  453   HG11  VAL  69          2HG1      VAL  69   0.854   2.334  -4.792
  454   HG12  VAL  69          1HG1      VAL  69   2.036   2.575  -3.504
  455   HG13  VAL  69          3HG1      VAL  69   0.482   3.409  -3.445
  456   HG21  VAL  69          3HG2      VAL  69  -1.315   1.038  -4.238
  457   HG22  VAL  69          2HG2      VAL  69  -1.576   2.196  -2.931
  458   HG23  VAL  69          1HG2      VAL  69  -1.540   0.468  -2.584
  459    H    ALA  70           H        ALA  70   2.404  -1.249  -1.687
  460    HA   ALA  70           HA       ALA  70   0.185  -3.052  -0.985
  461    HB1  ALA  70           HB1      ALA  70   3.113  -3.741  -1.217
  462    HB2  ALA  70           HB2      ALA  70   1.845  -4.827  -0.647
  463    HB3  ALA  70           HB3      ALA  70   1.829  -4.253  -2.313
  464    H    TYR  71           H        TYR  71  -0.217  -3.271   1.150
  465    HA   TYR  71           HA       TYR  71   1.035  -1.394   2.900
  466    HB2  TYR  71           HB2      TYR  71  -1.294  -1.713   3.216
  467    HB3  TYR  71           HB3      TYR  71  -1.115  -3.469   3.305
  468    HD1  TYR  71           HD1      TYR  71  -0.500  -0.305   5.113
  469    HD2  TYR  71           HD2      TYR  71  -0.585  -4.553   5.356
  470    HE1  TYR  71           HE1      TYR  71  -0.329  -0.162   7.561
  471    HE2  TYR  71           HE2      TYR  71  -0.416  -4.418   7.809
  472    HH   TYR  71           HH       TYR  71  -0.759  -1.413   9.516
  473    H    VAL  72           H        VAL  72   2.546  -1.698   4.392
  474    HA   VAL  72           HA       VAL  72   3.988  -4.227   4.346
  475    HB   VAL  72           HB       VAL  72   4.703  -1.667   5.777
  476   HG11  VAL  72          2HG1      VAL  72   7.007  -2.614   5.634
  477   HG12  VAL  72          1HG1      VAL  72   6.293  -4.120   5.051
  478   HG13  VAL  72          3HG1      VAL  72   5.900  -3.522   6.668
  479   HG21  VAL  72          3HG2      VAL  72   6.143  -1.145   3.870
  480   HG22  VAL  72          2HG2      VAL  72   4.447  -1.224   3.389
  481   HG23  VAL  72          1HG2      VAL  72   5.537  -2.568   3.017
  482    H    GLU  73           H        GLU  73   3.731  -5.727   5.890
  483    HA   GLU  73           HA       GLU  73   2.407  -4.935   8.368
  484    HB2  GLU  73           HB2      GLU  73   3.009  -7.665   7.225
  485    HB3  GLU  73           HB3      GLU  73   2.276  -7.402   8.800
  486    HG2  GLU  73           HG2      GLU  73   0.502  -6.053   7.509
  487    HG3  GLU  73           HG3      GLU  73   1.142  -6.867   6.084
  488    H    SER  74           H        SER  74   5.493  -6.075   7.173
  489    HA   SER  74           HA       SER  74   6.878  -5.185   9.451
  490    HB2  SER  74           HB2      SER  74   7.638  -7.429  10.302
  491    HB3  SER  74           HB3      SER  74   5.941  -7.069  10.624
  492    HG   SER  74           HG       SER  74   7.069  -9.008   9.013
  493    H    VAL  75           H        VAL  75   9.075  -5.145   9.119
  494    HA   VAL  75           HA       VAL  75  10.077  -6.384   6.662
  495    HB   VAL  75           HB       VAL  75  10.733  -4.051   6.988
  496   HG11  VAL  75          2HG1      VAL  75  12.100  -4.967   9.516
  497   HG12  VAL  75          1HG1      VAL  75  10.643  -3.976   9.432
  498   HG13  VAL  75          3HG1      VAL  75  12.173  -3.347   8.817
  499   HG21  VAL  75          3HG2      VAL  75  13.159  -4.278   6.738
  500   HG22  VAL  75          2HG2      VAL  75  12.296  -5.513   5.821
  501   HG23  VAL  75          1HG2      VAL  75  13.069  -5.929   7.352
  502    H    ASN  76           H        ASN  76  11.480  -8.093   6.676
  503    HA   ASN  76           HA       ASN  76  11.536  -9.557   9.181
  504    HB2  ASN  76           HB2      ASN  76  12.497 -10.443   6.453
  505    HB3  ASN  76           HB3      ASN  76  12.245 -11.470   7.859
  506   HD21  ASN  76          1HD2      ASN  76  11.090 -11.742   5.263
  507   HD22  ASN  76          2HD2      ASN  76   9.370 -11.616   5.455
  508    H    SER  77           H        SER  77  13.587 -10.894   9.574
  509    HA   SER  77           HA       SER  77  15.689  -9.046  10.080
  510    HB2  SER  77           HB2      SER  77  16.825 -11.250  10.895
  511    HB3  SER  77           HB3      SER  77  15.420 -10.629  11.763
  512    HG   SER  77           HG       SER  77  15.670 -12.879  10.130
  513    H    ASP  78           H        ASP  78  14.964 -10.916   7.370
  514    HA   ASP  78           HA       ASP  78  17.729 -11.276   6.534
  515    HB2  ASP  78           HB2      ASP  78  15.143 -11.819   5.054
  516    HB3  ASP  78           HB3      ASP  78  16.751 -12.221   4.463
  517    H    GLY  79           H        GLY  79  15.768  -8.703   6.703
  518    HA2  GLY  79           HA1      GLY  79  16.121  -6.588   5.743
  519    HA3  GLY  79           HA2      GLY  79  17.062  -7.348   4.464
  520    H    SER  80           H        SER  80  14.847  -9.379   4.241
  521    HA   SER  80           HA       SER  80  13.371  -8.123   2.171
  522    HB2  SER  80           HB2      SER  80  12.807 -10.762   3.546
  523    HB3  SER  80           HB3      SER  80  12.257 -10.264   1.946
  524    HG   SER  80           HG       SER  80  14.768  -9.968   1.733
  525    H    VAL  81           H        VAL  81  11.173  -7.599   2.116
  526    HA   VAL  81           HA       VAL  81  10.052  -7.023   4.777
  527    HB   VAL  81           HB       VAL  81   9.576  -5.563   2.174
  528   HG11  VAL  81          2HG1      VAL  81   7.639  -5.471   3.635
  529   HG12  VAL  81          1HG1      VAL  81   8.439  -3.901   3.570
  530   HG13  VAL  81          3HG1      VAL  81   8.657  -4.941   4.976
  531   HG21  VAL  81          3HG2      VAL  81  11.825  -5.193   2.989
  532   HG22  VAL  81          2HG2      VAL  81  11.208  -4.815   4.599
  533   HG23  VAL  81          1HG2      VAL  81  10.853  -3.744   3.242
  534    H    THR  82           H        THR  82   8.155  -7.858   5.326
  535    HA   THR  82           HA       THR  82   6.702  -9.473   3.389
  536    HB   THR  82           HB       THR  82   6.246  -9.106   6.363
  537    HG1  THR  82           HG1      THR  82   7.981 -10.347   6.398
  538   HG21  THR  82          3HG2      THR  82   4.846 -11.117   6.179
  539   HG22  THR  82          1HG2      THR  82   5.090 -11.125   4.432
  540   HG23  THR  82          2HG2      THR  82   4.209  -9.800   5.195
  541    H    ILE  83           H        ILE  83   5.173  -8.536   2.213
  542    HA   ILE  83           HA       ILE  83   3.594  -6.355   3.417
  543    HB   ILE  83           HB       ILE  83   3.297  -5.450   1.121
  544   HG12  ILE  83          2HG1      ILE  83   5.465  -7.427   0.381
  545   HG13  ILE  83          3HG1      ILE  83   3.775  -7.577  -0.077
  546   HG21  ILE  83          2HG2      ILE  83   5.534  -4.460   0.931
  547   HG22  ILE  83          1HG2      ILE  83   6.150  -5.666   2.062
  548   HG23  ILE  83          3HG2      ILE  83   4.958  -4.484   2.597
  549   HD11  ILE  83          3HD1      ILE  83   5.633  -5.365  -0.907
  550   HD12  ILE  83          2HD1      ILE  83   3.938  -5.517  -1.367
  551   HD13  ILE  83          1HD1      ILE  83   5.110  -6.720  -1.905
  552    H    SER  84           H        SER  84   1.387  -6.277   2.899
  553    HA   SER  84           HA       SER  84   0.331  -8.555   1.392
  554    HB2  SER  84           HB2      SER  84   0.010  -9.227   3.669
  555    HB3  SER  84           HB3      SER  84  -0.638  -7.646   4.116
  556    HG   SER  84           HG       SER  84  -1.848  -9.811   2.935
  557    H    GLU  85           H        GLU  85  -0.271  -7.484  -0.337
  558    HA   GLU  85           HA       GLU  85  -2.206  -5.293  -0.039
  559    HB2  GLU  85           HB2      GLU  85  -1.755  -4.800  -2.402
  560    HB3  GLU  85           HB3      GLU  85  -0.253  -4.806  -1.484
  561    HG2  GLU  85           HG2      GLU  85   0.131  -7.135  -2.253
  562    HG3  GLU  85           HG3      GLU  85  -1.290  -6.982  -3.281
  563    H    MET  86           H        MET  86  -4.096  -5.448  -1.551
  564    HA   MET  86           HA       MET  86  -4.788  -8.269  -2.040
  565    HB2  MET  86           HB2      MET  86  -6.075  -7.389  -0.161
  566    HB3  MET  86           HB3      MET  86  -6.603  -6.031  -1.140
  567    HG2  MET  86           HG2      MET  86  -7.872  -7.465  -2.565
  568    HG3  MET  86           HG3      MET  86  -7.234  -8.897  -1.761
  569    HE1  MET  86           HE1      MET  86  -7.342  -8.413   1.253
  570    HE2  MET  86           HE2      MET  86  -8.985  -8.908   1.663
  571    HE3  MET  86           HE3      MET  86  -8.052  -9.835   0.486
  572    H    ASN  87           H        ASN  87  -5.658  -8.757  -3.984
  573    HA   ASN  87           HA       ASN  87  -6.366  -8.566  -6.108
  574    HB2  ASN  87           HB2      ASN  87  -8.097  -7.151  -6.061
  575    HB3  ASN  87           HB3      ASN  87  -7.303  -6.074  -4.927
  576   HD21  ASN  87          1HD2      ASN  87  -7.692  -6.866  -8.320
  577   HD22  ASN  87          2HD2      ASN  87  -7.260  -5.289  -8.912
  578    H    TYR  88           H        TYR  88  -4.660  -5.469  -5.519
  579    HA   TYR  88           HA       TYR  88  -2.993  -4.434  -6.647
  580    HB2  TYR  88           HB2      TYR  88  -1.531  -6.170  -5.889
  581    HB3  TYR  88           HB3      TYR  88  -2.114  -7.287  -7.118
  582    HD1  TYR  88           HD2      TYR  88  -0.992  -3.732  -7.398
  583    HD2  TYR  88           HD1      TYR  88  -0.301  -7.790  -8.480
  584    HE1  TYR  88           HE2      TYR  88   0.801  -3.017  -8.922
  585    HE2  TYR  88           HE1      TYR  88   1.494  -7.083 -10.005
  586    HH   TYR  88           HH       TYR  88   2.201  -5.107 -11.235
  587    H    SER  89           H        SER  89  -3.539  -7.249  -8.765
  588    HA   SER  89           HA       SER  89  -4.592  -5.554 -10.861
  589    HB2  SER  89           HB2      SER  89  -2.043  -7.124 -11.320
  590    HB3  SER  89           HB3      SER  89  -2.882  -6.109 -12.494
  591    HG   SER  89           HG       SER  89  -2.448  -4.604 -10.384
  592    H    GLY  90           H        GLY  90  -5.824  -6.691 -12.321
  593    HA2  GLY  90           HA1      GLY  90  -6.324  -8.649 -13.592
  594    HA3  GLY  90           HA2      GLY  90  -5.592  -9.620 -12.324
  595    H    GLY  91           H        GLY  91  -6.756  -9.644 -10.209
  596    HA2  GLY  91           HA1      GLY  91  -9.670  -9.474 -10.669
  597    HA3  GLY  91           HA2      GLY  91  -8.933 -10.886  -9.924
  598    HA   PRO  92           HA       PRO  92  -9.821  -7.651  -6.626
  599    HB2  PRO  92           HB2      PRO  92 -12.428  -8.697  -6.041
  600    HB3  PRO  92           HB3      PRO  92 -12.008  -7.087  -6.626
  601    HG2  PRO  92           HG2      PRO  92 -13.401  -8.962  -8.085
  602    HG3  PRO  92           HG3      PRO  92 -12.482  -7.620  -8.790
  603    HD2  PRO  92           HD2      PRO  92 -11.713 -10.497  -8.481
  604    HD3  PRO  92           HD3      PRO  92 -11.399  -9.382  -9.829
  605    H    PHE  93           H        PHE  93  -9.360  -8.130  -4.562
  606    HA   PHE  93           HA       PHE  93  -9.120  -9.197  -2.597
  607    HB2  PHE  93           HB2      PHE  93 -11.010 -11.216  -3.780
  608    HB3  PHE  93           HB3      PHE  93 -10.341 -11.332  -2.153
  609    HD1  PHE  93           HD2      PHE  93 -11.039  -9.809  -0.411
  610    HD2  PHE  93           HD1      PHE  93 -12.670  -9.557  -4.331
  611    HE1  PHE  93           HE2      PHE  93 -12.858  -8.392   0.442
  612    HE2  PHE  93           HE1      PHE  93 -14.495  -8.138  -3.486
  613    HZ   PHE  93           HZ       PHE  93 -14.591  -7.557  -1.092
  614    H    SER  94           H        SER  94  -7.827 -10.332  -5.419
  615    HA   SER  94           HA       SER  94  -6.556 -12.677  -4.421
  616    HB2  SER  94           HB2      SER  94  -4.801 -12.037  -6.242
  617    HB3  SER  94           HB3      SER  94  -6.426 -12.524  -6.754
  618    HG   SER  94           HG       SER  94  -5.152 -10.133  -7.055
  619    H    VAL  95           H        VAL  95  -5.788 -12.214  -2.352
  620    HA   VAL  95           HA       VAL  95  -4.347  -9.902  -1.689
  621    HB   VAL  95           HB       VAL  95  -3.807 -12.493  -0.265
  622   HG11  VAL  95          2HG1      VAL  95  -3.727 -11.046   1.693
  623   HG12  VAL  95          1HG1      VAL  95  -4.123  -9.654   0.685
  624   HG13  VAL  95          3HG1      VAL  95  -2.602 -10.513   0.445
  625   HG21  VAL  95          3HG2      VAL  95  -5.842 -12.175   1.063
  626   HG22  VAL  95          2HG2      VAL  95  -6.222 -12.464  -0.634
  627   HG23  VAL  95          1HG2      VAL  95  -6.311 -10.830   0.024
  628    H    SER  96           H        SER  96  -2.605  -9.362  -2.852
  629    HA   SER  96           HA       SER  96  -0.843 -11.310  -3.978
  630    HB2  SER  96           HB2      SER  96  -1.255  -9.327  -5.259
  631    HB3  SER  96           HB3      SER  96  -0.798  -8.289  -3.913
  632    HG   SER  96           HG       SER  96   1.174  -8.395  -4.579
  633    H    SER  97           H        SER  97  -0.080 -12.408  -2.218
  634    HA   SER  97           HA       SER  97   1.371 -11.076  -0.118
  635    HB2  SER  97           HB2      SER  97   1.307 -14.019  -0.822
  636    HB3  SER  97           HB3      SER  97   1.850 -13.318   0.703
  637    HG   SER  97           HG       SER  97  -0.544 -12.367   0.350
  638    H    ARG  98           H        ARG  98   3.202 -10.060  -0.694
  639    HA   ARG  98           HA       ARG  98   5.182 -11.611  -2.229
  640    HB2  ARG  98           HB2      ARG  98   4.642  -8.639  -2.343
  641    HB3  ARG  98           HB3      ARG  98   6.057  -9.402  -3.047
  642    HG2  ARG  98           HG2      ARG  98   4.529 -10.769  -4.464
  643    HG3  ARG  98           HG3      ARG  98   3.186  -9.806  -3.841
  644    HD2  ARG  98           HD2      ARG  98   4.267  -7.772  -4.702
  645    HD3  ARG  98           HD3      ARG  98   5.578  -8.756  -5.351
  646    HE   ARG  98           HE       ARG  98   2.879  -9.389  -6.245
  647   HH11  ARG  98          2HH1      ARG  98   5.963  -7.868  -6.964
  648   HH12  ARG  98          1HH1      ARG  98   5.652  -7.779  -8.677
  649   HH21  ARG  98          2HH2      ARG  98   2.469  -9.254  -8.475
  650   HH22  ARG  98          1HH2      ARG  98   3.661  -8.560  -9.536
  651    H    THR  99           H        THR  99   7.380 -11.183  -1.739
  652    HA   THR  99           HA       THR  99   7.842  -9.838   0.836
  653    HB   THR  99           HB       THR  99   9.401 -12.221  -0.196
  654    HG1  THR  99           HG1      THR  99   7.107 -12.018   1.439
  655   HG21  THR  99          3HG2      THR  99   9.311 -10.902   2.526
  656   HG22  THR  99          1HG2      THR  99  10.627 -10.767   1.360
  657   HG23  THR  99          2HG2      THR  99  10.258 -12.326   2.096
  658    H    ILE 100           H        ILE 100   8.871  -8.009   0.432
  659    HA   ILE 100           HA       ILE 100  10.143  -7.519  -2.091
  660    HB   ILE 100           HB       ILE 100   9.989  -5.782   0.377
  661   HG12  ILE 100          2HG1      ILE 100   7.784  -6.253  -0.522
  662   HG13  ILE 100          3HG1      ILE 100   8.228  -4.582  -0.889
  663   HG21  ILE 100          2HG2      ILE 100  10.550  -3.928  -1.126
  664   HG22  ILE 100          1HG2      ILE 100  10.790  -5.078  -2.441
  665   HG23  ILE 100          3HG2      ILE 100  11.846  -5.118  -1.029
  666   HD11  ILE 100          3HD1      ILE 100   8.808  -5.246  -3.168
  667   HD12  ILE 100          2HD1      ILE 100   7.138  -5.661  -2.782
  668   HD13  ILE 100          1HD1      ILE 100   8.378  -6.915  -2.795
  669    H    SER 101           H        SER 101  12.220  -7.741  -2.595
  670    HA   SER 101           HA       SER 101  14.187  -8.545  -0.701
  671    HB2  SER 101           HB2      SER 101  14.595  -7.458  -3.500
  672    HB3  SER 101           HB3      SER 101  15.722  -8.455  -2.578
  673    HG   SER 101           HG       SER 101  14.624 -10.185  -3.088
  674    H    ALA 102           H        ALA 102  15.738  -7.342   0.317
  675    HA   ALA 102           HA       ALA 102  15.225  -4.745   1.072
  676    HB1  ALA 102           HB1      ALA 102  17.493  -4.665   1.947
  677    HB2  ALA 102           HB2      ALA 102  16.752  -6.234   2.264
  678    HB3  ALA 102           HB3      ALA 102  17.934  -6.062   0.966
  679    H    SER 103           H        SER 103  17.148  -5.845  -1.658
  680    HA   SER 103           HA       SER 103  18.432  -3.521  -2.406
  681    HB2  SER 103           HB2      SER 103  17.187  -5.502  -4.320
  682    HB3  SER 103           HB3      SER 103  18.612  -4.497  -4.594
  683    HG   SER 103           HG       SER 103  19.746  -6.030  -3.738
  684    H    GLU 104           H        GLU 104  15.130  -4.567  -3.218
  685    HA   GLU 104           HA       GLU 104  14.668  -2.031  -4.583
  686    HB2  GLU 104           HB2      GLU 104  13.062  -4.566  -4.371
  687    HB3  GLU 104           HB3      GLU 104  12.390  -3.091  -5.046
  688    HG2  GLU 104           HG2      GLU 104  14.327  -3.083  -6.653
  689    HG3  GLU 104           HG3      GLU 104  14.699  -4.706  -6.076
  690    H    ALA 105           H        ALA 105  14.205  -3.445  -1.526
  691    HA   ALA 105           HA       ALA 105  11.901  -2.061  -0.667
  692    HB1  ALA 105           HB1      ALA 105  14.263  -2.972   0.980
  693    HB2  ALA 105           HB2      ALA 105  12.672  -2.531   1.599
  694    HB3  ALA 105           HB3      ALA 105  12.856  -3.952   0.571
  695    H    GLY 106           H        GLY 106  15.314  -1.205  -0.787
  696    HA2  GLY 106           HA1      GLY 106  14.998   1.314   0.535
  697    HA3  GLY 106           HA2      GLY 106  16.388   0.805  -0.412
  698    H    ASN 107           H        ASN 107  14.117   0.249  -2.533
  699    HA   ASN 107           HA       ASN 107  14.402   2.863  -3.808
  700    HB2  ASN 107           HB2      ASN 107  14.962   0.913  -5.175
  701    HB3  ASN 107           HB3      ASN 107  13.368   0.221  -4.880
  702   HD21  ASN 107          1HD2      ASN 107  11.538   1.211  -5.855
  703   HD22  ASN 107          2HD2      ASN 107  11.700   2.250  -7.225
  704    H    TYR 108           H        TYR 108  11.874   0.507  -3.013
  705    HA   TYR 108           HA       TYR 108   9.734   1.922  -4.129
  706    HB2  TYR 108           HB2      TYR 108   9.777  -0.127  -1.919
  707    HB3  TYR 108           HB3      TYR 108   8.305   0.474  -2.674
  708    HD1  TYR 108           HD2      TYR 108   9.282   0.595  -5.527
  709    HD2  TYR 108           HD1      TYR 108   9.717  -2.385  -2.529
  710    HE1  TYR 108           HE2      TYR 108   9.467  -1.126  -7.273
  711    HE2  TYR 108           HE1      TYR 108   9.909  -4.110  -4.257
  712    HH   TYR 108           HH       TYR 108  10.579  -3.517  -7.395
  713    H    ASN 109           H        ASN 109   8.501   3.513  -3.479
  714    HA   ASN 109           HA       ASN 109   9.223   5.004  -1.130
  715    HB2  ASN 109           HB2      ASN 109   7.190   5.439  -3.320
  716    HB3  ASN 109           HB3      ASN 109   7.286   6.500  -1.921
  717   HD21  ASN 109          1HD2      ASN 109   7.749   7.015  -4.774
  718   HD22  ASN 109          2HD2      ASN 109   9.345   7.678  -4.878
  719    H    TYR 110           H        TYR 110   7.687   5.683   0.482
  720    HA   TYR 110           HA       TYR 110   5.181   4.239   0.649
  721    HB2  TYR 110           HB2      TYR 110   5.535   3.177   2.699
  722    HB3  TYR 110           HB3      TYR 110   7.040   2.881   1.838
  723    HD1  TYR 110           HD2      TYR 110   8.880   4.776   2.266
  724    HD2  TYR 110           HD1      TYR 110   5.675   3.839   4.881
  725    HE1  TYR 110           HE2      TYR 110  10.130   5.756   4.136
  726    HE2  TYR 110           HE1      TYR 110   6.916   4.817   6.763
  727    HH   TYR 110           HH       TYR 110   9.260   5.319   7.371
  728    H    ILE 111           H        ILE 111   3.817   5.153   2.424
  729    HA   ILE 111           HA       ILE 111   4.578   7.953   2.872
  730    HB   ILE 111           HB       ILE 111   2.327   8.692   2.346
  731   HG12  ILE 111          2HG1      ILE 111   1.755   5.825   1.570
  732   HG13  ILE 111          3HG1      ILE 111   1.156   6.603   3.025
  733   HG21  ILE 111          2HG2      ILE 111   2.323   8.275  -0.071
  734   HG22  ILE 111          1HG2      ILE 111   3.471   6.955   0.156
  735   HG23  ILE 111          3HG2      ILE 111   3.947   8.612   0.528
  736   HD11  ILE 111          3HD1      ILE 111   0.505   7.360   0.186
  737   HD12  ILE 111          2HD1      ILE 111  -0.059   8.220   1.621
  738   HD13  ILE 111          1HD1      ILE 111  -0.563   6.555   1.337
  739    H    HIS 112           H        HIS 112   4.295   8.640   4.899
  740    HA   HIS 112           HA       HIS 112   2.273   7.330   6.554
  741    HB2  HIS 112           HB2      HIS 112   3.786   7.105   8.456
  742    HB3  HIS 112           HB3      HIS 112   4.392   6.188   7.087
  743    HD1  HIS 112           HD1      HIS 112   5.256   8.872   9.443
  744    HD2  HIS 112           HD2      HIS 112   6.769   7.323   5.866
  745    HE1  HIS 112           HE1      HIS 112   7.596   9.762   9.250
  746    HE2  HIS 112           HE2      HIS 112   8.551   8.638   7.213
  747    H    ILE 113           H        ILE 113   1.248   8.721   7.958
  748    HA   ILE 113           HA       ILE 113   1.273  11.429   7.293
  749    HB   ILE 113           HB       ILE 113  -0.125  11.627   9.426
  750   HG12  ILE 113          2HG1      ILE 113   0.036   8.616   9.267
  751   HG13  ILE 113          3HG1      ILE 113   0.780   9.597  10.526
  752   HG21  ILE 113          2HG2      ILE 113  -1.080  11.499   7.196
  753   HG22  ILE 113          1HG2      ILE 113  -2.066  10.597   8.349
  754   HG23  ILE 113          3HG2      ILE 113  -0.987   9.739   7.250
  755   HD11  ILE 113          3HD1      ILE 113  -2.169   9.364   9.973
  756   HD12  ILE 113          2HD1      ILE 113  -1.432  10.356  11.231
  757   HD13  ILE 113          1HD1      ILE 113  -1.288   8.599  11.297
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1 -19.821   8.060  15.455
    2    H2   GLY   1           H2       GLY   1 -21.136   6.995  15.390
    3    H3   GLY   1           H3       GLY   1 -21.393   8.636  15.728
    4    HA2  GLY   1           HA2      GLY   1 -22.006   8.098  13.449
    5    HA3  GLY   1           HA1      GLY   1 -20.679   9.252  13.522
    6    H    SER   2           H        SER   2 -21.589   7.074  11.553
    7    HA   SER   2           HA       SER   2 -19.508   5.130  11.516
    8    HB2  SER   2           HB2      SER   2 -21.315   6.024   9.257
    9    HB3  SER   2           HB3      SER   2 -20.386   4.526   9.321
   10    HG   SER   2           HG       SER   2 -22.675   5.273  10.781
   11    H    SER   3           H        SER   3 -19.830   8.361  10.330
   12    HA   SER   3           HA       SER   3 -17.021   8.298   9.544
   13    HB2  SER   3           HB2      SER   3 -18.556   8.004   7.495
   14    HB3  SER   3           HB3      SER   3 -19.043   9.676   7.775
   15    HG   SER   3           HG       SER   3 -16.540   8.643   7.015
   16    H    ILE   4           H        ILE   4 -16.373   9.563  11.178
   17    HA   ILE   4           HA       ILE   4 -17.115  12.360  11.093
   18    HB   ILE   4           HB       ILE   4 -18.745  11.643  12.690
   19   HG12  ILE   4          2HG1      ILE   4 -16.374  12.809  14.164
   20   HG13  ILE   4          3HG1      ILE   4 -17.547  13.725  13.226
   21   HG21  ILE   4          2HG2      ILE   4 -17.810   9.471  13.256
   22   HG22  ILE   4          1HG2      ILE   4 -18.194  10.385  14.714
   23   HG23  ILE   4          3HG2      ILE   4 -16.520  10.251  14.173
   24   HD11  ILE   4          3HD1      ILE   4 -18.132  12.144  15.718
   25   HD12  ILE   4          2HD1      ILE   4 -19.305  13.073  14.784
   26   HD13  ILE   4          1HD1      ILE   4 -17.981  13.898  15.609
   27    H    SER   5           H        SER   5 -15.254   9.828  12.704
   28    HA   SER   5           HA       SER   5 -12.990  11.633  13.032
   29    HB2  SER   5           HB2      SER   5 -13.342   8.727  13.827
   30    HB3  SER   5           HB3      SER   5 -11.979   9.757  14.266
   31    HG   SER   5           HG       SER   5 -13.144  10.678  15.761
   32    H    HIS   6           H        HIS   6 -11.471   8.861  12.709
   33    HA   HIS   6           HA       HIS   6 -10.550   9.309  10.065
   34    HB2  HIS   6           HB2      HIS   6 -10.253   6.815  11.760
   35    HB3  HIS   6           HB3      HIS   6  -9.294   7.224  10.342
   36    HD1  HIS   6           HD1      HIS   6  -7.844   9.542  10.643
   37    HD2  HIS   6           HD2      HIS   6  -9.158   7.634  14.099
   38    HE1  HIS   6           HE1      HIS   6  -6.459  10.491  12.517
   39    HE2  HIS   6           HE2      HIS   6  -7.143   9.191  14.559
   40    H    SER   7           H        SER   7 -11.617   8.853   8.252
   41    HA   SER   7           HA       SER   7 -14.064   7.529   8.163
   42    HB2  SER   7           HB2      SER   7 -13.258   7.413   5.578
   43    HB3  SER   7           HB3      SER   7 -13.888   8.875   6.342
   44    HG   SER   7           HG       SER   7 -11.359   8.317   5.440
   45    H    GLY   8           H        GLY   8 -14.686   5.485   7.845
   46    HA2  GLY   8           HA1      GLY   8 -12.986   3.396   8.565
   47    HA3  GLY   8           HA2      GLY   8 -14.565   3.196   7.822
   48    H    ASN   9           H        ASN   9 -14.604   3.491   5.395
   49    HA   ASN   9           HA       ASN   9 -12.098   3.196   4.028
   50    HB2  ASN   9           HB2      ASN   9 -12.860   0.846   4.904
   51    HB3  ASN   9           HB3      ASN   9 -13.994   0.929   3.559
   52   HD21  ASN   9          1HD2      ASN   9 -13.133   1.175   1.428
   53   HD22  ASN   9          2HD2      ASN   9 -11.554   0.583   1.068
   54    H    LEU  10           H        LEU  10 -12.234   4.037   2.038
   55    HA   LEU  10           HA       LEU  10 -14.899   4.954   1.229
   56    HB2  LEU  10           HB2      LEU  10 -12.175   5.942   0.426
   57    HB3  LEU  10           HB3      LEU  10 -13.703   6.664  -0.049
   58    HG   LEU  10           HG       LEU  10 -12.613   6.530   2.765
   59   HD11  LEU  10          2HD1      LEU  10 -12.457   8.972   2.536
   60   HD12  LEU  10          1HD1      LEU  10 -12.946   8.831   0.847
   61   HD13  LEU  10          3HD1      LEU  10 -11.422   8.125   1.385
   62   HD21  LEU  10          3HD2      LEU  10 -15.050   6.371   2.730
   63   HD22  LEU  10          2HD2      LEU  10 -15.134   7.806   1.709
   64   HD23  LEU  10          1HD2      LEU  10 -14.524   7.932   3.359
   65    H    TYR  11           H        TYR  11 -12.060   3.285  -0.070
   66    HA   TYR  11           HA       TYR  11 -12.807   3.706  -2.775
   67    HB2  TYR  11           HB2      TYR  11 -10.461   3.207  -1.720
   68    HB3  TYR  11           HB3      TYR  11 -10.909   1.527  -1.998
   69    HD1  TYR  11           HD1      TYR  11 -11.006   4.768  -3.857
   70    HD2  TYR  11           HD2      TYR  11 -10.162   0.601  -3.993
   71    HE1  TYR  11           HE1      TYR  11 -10.312   4.993  -6.204
   72    HE2  TYR  11           HE2      TYR  11  -9.462   0.816  -6.342
   73    HH   TYR  11           HH       TYR  11  -9.786   2.280  -8.239
   74    H    THR  12           H        THR  12 -12.577   1.528  -4.189
   75    HA   THR  12           HA       THR  12 -15.127   0.606  -4.439
   76    HB   THR  12           HB       THR  12 -12.813  -1.097  -5.297
   77    HG1  THR  12           HG1      THR  12 -13.250   0.881  -7.068
   78   HG21  THR  12          3HG2      THR  12 -14.092  -1.285  -7.362
   79   HG22  THR  12          1HG2      THR  12 -15.310  -0.176  -6.727
   80   HG23  THR  12          2HG2      THR  12 -15.078  -1.756  -5.977
   81    H    ALA  13           H        ALA  13 -12.957  -2.069  -4.223
   82    HA   ALA  13           HA       ALA  13 -13.580  -3.124  -1.717
   83    HB1  ALA  13           HB1      ALA  13 -15.876  -3.257  -2.567
   84    HB2  ALA  13           HB2      ALA  13 -15.309  -4.193  -3.951
   85    HB3  ALA  13           HB3      ALA  13 -15.193  -4.865  -2.324
   86    H    GLY  14           H        GLY  14 -12.073  -4.619  -1.348
   87    HA2  GLY  14           HA1      GLY  14 -10.632  -6.378  -1.687
   88    HA3  GLY  14           HA2      GLY  14 -11.393  -6.639  -3.248
   89    H    GLN  15           H        GLN  15 -10.546  -3.514  -3.376
   90    HA   GLN  15           HA       GLN  15  -8.491  -3.974  -5.270
   91    HB2  GLN  15           HB2      GLN  15  -9.387  -1.429  -3.903
   92    HB3  GLN  15           HB3      GLN  15  -8.260  -1.485  -5.251
   93    HG2  GLN  15           HG2      GLN  15 -10.950  -2.741  -5.522
   94    HG3  GLN  15           HG3      GLN  15 -10.778  -0.993  -5.663
   95   HE21  GLN  15          1HE2      GLN  15  -9.936  -4.075  -7.046
   96   HE22  GLN  15          2HE2      GLN  15  -9.491  -3.474  -8.601
   97    H    CYS  16           H        CYS  16  -6.308  -3.023  -5.196
   98    HA   CYS  16           HA       CYS  16  -4.863  -3.850  -2.919
   99    HB2  CYS  16           HB2      CYS  16  -2.966  -2.545  -4.067
  100    HB3  CYS  16           HB3      CYS  16  -3.680  -3.889  -4.954
  101    HG   CYS  16           HG       CYS  16  -3.417  -2.175  -6.962
  102    H    THR  17           H        THR  17  -5.778  -0.654  -4.135
  103    HA   THR  17           HA       THR  17  -4.605   0.783  -1.954
  104    HB   THR  17           HB       THR  17  -5.959   2.690  -2.816
  105    HG1  THR  17           HG1      THR  17  -7.349   2.387  -4.495
  106   HG21  THR  17          3HG2      THR  17  -3.753   2.268  -3.754
  107   HG22  THR  17          1HG2      THR  17  -4.852   2.854  -5.002
  108   HG23  THR  17          2HG2      THR  17  -4.448   1.139  -4.918
  109    H    TRP  18           H        TRP  18  -7.514  -0.925  -2.463
  110    HA   TRP  18           HA       TRP  18  -9.094   0.348  -0.447
  111    HB2  TRP  18           HB2      TRP  18 -10.123  -0.797  -2.345
  112    HB3  TRP  18           HB3      TRP  18  -9.381  -2.314  -1.855
  113    HD1  TRP  18           HD1      TRP  18 -12.310  -0.019  -1.079
  114    HE1  TRP  18           HE1      TRP  18 -13.946  -1.271   0.471
  115    HE3  TRP  18           HE3      TRP  18  -9.439  -4.108   0.013
  116    HZ2  TRP  18           HZ2      TRP  18 -13.999  -3.661   1.974
  117    HZ3  TRP  18           HZ3      TRP  18 -10.353  -5.823   1.518
  118    HH2  TRP  18           HH2      TRP  18 -12.583  -5.609   2.479
  119    H    TYR  19           H        TYR  19  -7.352  -2.763  -0.679
  120    HA   TYR  19           HA       TYR  19  -7.870  -3.613   1.948
  121    HB2  TYR  19           HB2      TYR  19  -7.049  -5.186   0.320
  122    HB3  TYR  19           HB3      TYR  19  -5.575  -4.251   0.086
  123    HD1  TYR  19           HD2      TYR  19  -7.444  -6.245   2.609
  124    HD2  TYR  19           HD1      TYR  19  -3.674  -4.676   1.398
  125    HE1  TYR  19           HE2      TYR  19  -6.339  -7.531   4.387
  126    HE2  TYR  19           HE1      TYR  19  -2.562  -5.962   3.174
  127    HH   TYR  19           HH       TYR  19  -4.210  -8.388   4.989
  128    H    VAL  20           H        VAL  20  -5.243  -1.706   0.589
  129    HA   VAL  20           HA       VAL  20  -3.632  -1.438   2.837
  130    HB   VAL  20           HB       VAL  20  -4.188   0.483   0.578
  131   HG11  VAL  20          2HG1      VAL  20  -2.188   1.714   1.296
  132   HG12  VAL  20          1HG1      VAL  20  -2.101   0.710   2.742
  133   HG13  VAL  20          3HG1      VAL  20  -3.477   1.787   2.497
  134   HG21  VAL  20          3HG2      VAL  20  -1.850  -1.325   1.194
  135   HG22  VAL  20          2HG2      VAL  20  -1.958  -0.219  -0.177
  136   HG23  VAL  20          1HG2      VAL  20  -3.069  -1.584  -0.053
  137    H    TYR  21           H        TYR  21  -6.423   0.487   1.818
  138    HA   TYR  21           HA       TYR  21  -6.172   2.431   3.848
  139    HB2  TYR  21           HB2      TYR  21  -7.445   2.625   1.643
  140    HB3  TYR  21           HB3      TYR  21  -8.733   1.724   2.429
  141    HD1  TYR  21           HD2      TYR  21  -6.589   4.721   3.049
  142    HD2  TYR  21           HD1      TYR  21 -10.397   2.889   3.447
  143    HE1  TYR  21           HE2      TYR  21  -7.467   6.793   4.035
  144    HE2  TYR  21           HE1      TYR  21 -11.299   4.947   4.436
  145    HH   TYR  21           HH       TYR  21 -10.258   6.951   5.750
  146    H    ASP  22           H        ASP  22  -7.978  -0.594   3.630
  147    HA   ASP  22           HA       ASP  22  -9.478  -0.216   6.009
  148    HB2  ASP  22           HB2      ASP  22 -10.204  -1.826   4.342
  149    HB3  ASP  22           HB3      ASP  22  -8.722  -2.754   4.547
  150    H    LYS  23           H        LYS  23  -6.336  -1.669   5.347
  151    HA   LYS  23           HA       LYS  23  -6.018  -2.767   7.961
  152    HB2  LYS  23           HB2      LYS  23  -4.084  -2.258   5.709
  153    HB3  LYS  23           HB3      LYS  23  -3.575  -2.948   7.246
  154    HG2  LYS  23           HG2      LYS  23  -5.664  -4.130   5.430
  155    HG3  LYS  23           HG3      LYS  23  -3.982  -4.648   5.520
  156    HD2  LYS  23           HD2      LYS  23  -5.990  -4.735   7.775
  157    HD3  LYS  23           HD3      LYS  23  -5.424  -6.118   6.833
  158    HE2  LYS  23           HE2      LYS  23  -3.144  -5.724   7.640
  159    HE3  LYS  23           HE3      LYS  23  -3.718  -4.347   8.582
  160    HZ1  LYS  23           HZ1      LYS  23  -4.380  -7.212   8.978
  161    HZ2  LYS  23           HZ2      LYS  23  -5.214  -5.955   9.752
  162    HZ3  LYS  23           HZ3      LYS  23  -3.557  -6.180  10.042
  163    H    VAL  24           H        VAL  24  -5.218   0.314   6.494
  164    HA   VAL  24           HA       VAL  24  -3.617   1.118   8.766
  165    HB   VAL  24           HB       VAL  24  -3.409   3.289   7.666
  166   HG11  VAL  24          2HG1      VAL  24  -2.197   2.535   5.671
  167   HG12  VAL  24          1HG1      VAL  24  -2.963   0.952   5.814
  168   HG13  VAL  24          3HG1      VAL  24  -1.862   1.517   7.072
  169   HG21  VAL  24          3HG2      VAL  24  -5.622   3.467   6.667
  170   HG22  VAL  24          2HG2      VAL  24  -5.248   2.144   5.562
  171   HG23  VAL  24          1HG2      VAL  24  -4.373   3.669   5.438
  172    H    GLY  25           H        GLY  25  -6.807   0.719   8.419
  173    HA2  GLY  25           HA1      GLY  25  -8.553   1.316   9.785
  174    HA3  GLY  25           HA2      GLY  25  -7.406   2.220  10.761
  175    H    GLY  26           H        GLY  26  -7.768   2.843   7.361
  176    HA2  GLY  26           HA1      GLY  26  -8.554   4.659   6.210
  177    HA3  GLY  26           HA2      GLY  26  -9.722   4.863   7.504
  178    H    GLU  27           H        GLU  27  -6.240   4.959   7.917
  179    HA   GLU  27           HA       GLU  27  -6.494   7.539   9.164
  180    HB2  GLU  27           HB2      GLU  27  -5.080   5.868  10.215
  181    HB3  GLU  27           HB3      GLU  27  -4.085   5.765   8.769
  182    HG2  GLU  27           HG2      GLU  27  -3.011   7.080  10.518
  183    HG3  GLU  27           HG3      GLU  27  -3.341   8.048   9.084
  184    H    ILE  28           H        ILE  28  -4.368   6.302   6.564
  185    HA   ILE  28           HA       ILE  28  -3.814   9.104   5.945
  186    HB   ILE  28           HB       ILE  28  -1.748   8.555   5.119
  187   HG12  ILE  28          2HG1      ILE  28  -2.698   6.811   3.519
  188   HG13  ILE  28          3HG1      ILE  28  -1.058   6.542   4.098
  189   HG21  ILE  28          2HG2      ILE  28  -2.271   6.396   7.151
  190   HG22  ILE  28          1HG2      ILE  28  -1.805   8.064   7.485
  191   HG23  ILE  28          3HG2      ILE  28  -0.682   6.984   6.660
  192   HD11  ILE  28          3HD1      ILE  28  -2.256   4.474   4.049
  193   HD12  ILE  28          2HD1      ILE  28  -3.564   5.154   5.020
  194   HD13  ILE  28          1HD1      ILE  28  -1.966   4.923   5.732
  195    H    GLY  29           H        GLY  29  -3.885   9.944   3.886
  196    HA2  GLY  29           HA1      GLY  29  -3.974   9.885   1.566
  197    HA3  GLY  29           HA2      GLY  29  -4.399   8.187   1.643
  198    H    SER  30           H        SER  30  -6.575   7.662   2.330
  199    HA   SER  30           HA       SER  30  -8.742   7.565   1.817
  200    HB2  SER  30           HB2      SER  30 -10.144   9.627   2.276
  201    HB3  SER  30           HB3      SER  30  -9.177   9.017   3.612
  202    HG   SER  30           HG       SER  30  -9.232  11.451   2.776
  203    H    THR  31           H        THR  31  -7.409  10.460   0.264
  204    HA   THR  31           HA       THR  31  -9.006   9.789  -2.117
  205    HB   THR  31           HB       THR  31  -9.772  11.855  -0.955
  206    HG1  THR  31           HG1      THR  31  -8.563  12.444  -3.469
  207   HG21  THR  31          3HG2      THR  31  -8.370  13.872  -1.031
  208   HG22  THR  31          1HG2      THR  31  -7.032  12.915  -1.670
  209   HG23  THR  31          2HG2      THR  31  -7.639  12.607  -0.043
  210    H    TRP  32           H        TRP  32  -6.274   8.959  -1.341
  211    HA   TRP  32           HA       TRP  32  -4.345  10.488  -2.725
  212    HB2  TRP  32           HB2      TRP  32  -2.852   8.554  -2.452
  213    HB3  TRP  32           HB3      TRP  32  -3.667   8.971  -0.951
  214    HD1  TRP  32           HD1      TRP  32  -5.044   6.779  -3.799
  215    HE1  TRP  32           HE1      TRP  32  -5.600   4.496  -2.849
  216    HE3  TRP  32           HE3      TRP  32  -3.262   7.423   0.924
  217    HZ2  TRP  32           HZ2      TRP  32  -5.335   3.096  -0.403
  218    HZ3  TRP  32           HZ3      TRP  32  -3.445   5.552   2.514
  219    HH2  TRP  32           HH2      TRP  32  -4.462   3.432   1.867
  220    H    GLY  33           H        GLY  33  -6.755   8.366  -3.844
  221    HA2  GLY  33           HA1      GLY  33  -7.284   8.091  -6.125
  222    HA3  GLY  33           HA2      GLY  33  -5.659   8.624  -6.524
  223    H    ASN  34           H        ASN  34  -4.269   7.185  -7.181
  224    HA   ASN  34           HA       ASN  34  -4.727   4.375  -6.457
  225    HB2  ASN  34           HB2      ASN  34  -3.799   5.426  -9.138
  226    HB3  ASN  34           HB3      ASN  34  -3.827   3.732  -8.669
  227   HD21  ASN  34          1HD2      ASN  34  -6.353   4.027  -7.203
  228   HD22  ASN  34          2HD2      ASN  34  -7.584   4.118  -8.411
  229    H    ALA  35           H        ALA  35  -2.555   3.168  -7.324
  230    HA   ALA  35           HA       ALA  35  -0.783   3.870  -5.227
  231    HB1  ALA  35           HB1      ALA  35   0.462   1.906  -5.921
  232    HB2  ALA  35           HB2      ALA  35  -1.269   1.573  -5.848
  233    HB3  ALA  35           HB3      ALA  35  -0.485   1.823  -7.407
  234    H    ASN  36           H        ASN  36  -0.487   4.040  -8.770
  235    HA   ASN  36           HA       ASN  36   2.267   4.755  -8.715
  236    HB2  ASN  36           HB2      ASN  36   1.954   5.314 -11.125
  237    HB3  ASN  36           HB3      ASN  36   1.407   3.698 -10.692
  238   HD21  ASN  36          1HD2      ASN  36   0.061   3.553 -12.463
  239   HD22  ASN  36          2HD2      ASN  36  -1.428   4.435 -12.576
  240    H    ASN  37           H        ASN  37  -0.376   6.469  -7.808
  241    HA   ASN  37           HA       ASN  37   0.914   9.053  -8.394
  242    HB2  ASN  37           HB2      ASN  37  -1.324   8.665  -9.496
  243    HB3  ASN  37           HB3      ASN  37  -2.032   8.563  -7.890
  244   HD21  ASN  37          1HD2      ASN  37  -3.350  10.331  -8.188
  245   HD22  ASN  37          2HD2      ASN  37  -2.744  11.948  -8.268
  246    H    TRP  38           H        TRP  38   0.682   6.855  -6.100
  247    HA   TRP  38           HA       TRP  38  -0.610   7.896  -3.896
  248    HB2  TRP  38           HB2      TRP  38   1.308   5.805  -4.381
  249    HB3  TRP  38           HB3      TRP  38   1.696   6.671  -2.882
  250    HD1  TRP  38           HD1      TRP  38  -1.830   5.772  -4.238
  251    HE1  TRP  38           HE1      TRP  38  -3.014   4.440  -2.422
  252    HE3  TRP  38           HE3      TRP  38   2.014   5.418  -0.910
  253    HZ2  TRP  38           HZ2      TRP  38  -2.377   3.365   0.177
  254    HZ3  TRP  38           HZ3      TRP  38   1.653   4.220   1.194
  255    HH2  TRP  38           HH2      TRP  38  -0.483   3.211   1.715
  256    H    ALA  39           H        ALA  39   2.909   8.026  -4.387
  257    HA   ALA  39           HA       ALA  39   3.603   9.622  -2.302
  258    HB1  ALA  39           HB1      ALA  39   4.787   9.748  -5.072
  259    HB2  ALA  39           HB2      ALA  39   5.566  10.295  -3.586
  260    HB3  ALA  39           HB3      ALA  39   5.208   8.583  -3.817
  261    H    ALA  40           H        ALA  40   2.446  10.751  -5.463
  262    HA   ALA  40           HA       ALA  40   2.859  13.505  -4.935
  263    HB1  ALA  40           HB1      ALA  40   1.044  12.189  -6.944
  264    HB2  ALA  40           HB2      ALA  40   1.539  13.882  -6.949
  265    HB3  ALA  40           HB3      ALA  40   2.737  12.611  -7.194
  266    H    ALA  41           H        ALA  41   0.048  11.376  -4.610
  267    HA   ALA  41           HA       ALA  41  -1.727  13.487  -3.812
  268    HB1  ALA  41           HB1      ALA  41  -2.529  11.413  -4.882
  269    HB2  ALA  41           HB2      ALA  41  -2.035  10.504  -3.454
  270    HB3  ALA  41           HB3      ALA  41  -3.309  11.718  -3.333
  271    H    ALA  42           H        ALA  42   0.188  11.032  -2.213
  272    HA   ALA  42           HA       ALA  42  -0.612  11.397   0.441
  273    HB1  ALA  42           HB1      ALA  42   2.024  10.566  -0.770
  274    HB2  ALA  42           HB2      ALA  42   1.687  10.521   0.960
  275    HB3  ALA  42           HB3      ALA  42   0.739   9.528  -0.145
  276    H    GLN  43           H        GLN  43   1.990  12.983  -1.418
  277    HA   GLN  43           HA       GLN  43   2.799  14.709   0.681
  278    HB2  GLN  43           HB2      GLN  43   3.139  14.939  -2.309
  279    HB3  GLN  43           HB3      GLN  43   3.909  16.008  -1.144
  280    HG2  GLN  43           HG2      GLN  43   5.111  14.135  -0.182
  281    HG3  GLN  43           HG3      GLN  43   4.298  13.022  -1.292
  282   HE21  GLN  43          1HE2      GLN  43   7.153  13.676  -0.905
  283   HE22  GLN  43          2HE2      GLN  43   7.724  14.127  -2.484
  284    H    GLY  44           H        GLY  44   0.320  14.890  -1.771
  285    HA2  GLY  44           HA1      GLY  44  -0.349  17.619  -1.475
  286    HA3  GLY  44           HA2      GLY  44  -1.434  16.350  -2.038
  287    H    ALA  45           H        ALA  45  -1.206  14.742   0.341
  288    HA   ALA  45           HA       ALA  45  -2.988  16.142   2.116
  289    HB1  ALA  45           HB1      ALA  45  -3.278  13.751   1.682
  290    HB2  ALA  45           HB2      ALA  45  -1.700  13.427   2.399
  291    HB3  ALA  45           HB3      ALA  45  -3.009  14.060   3.397
  292    H    GLY  46           H        GLY  46   0.377  15.102   2.119
  293    HA2  GLY  46           HA1      GLY  46   1.848  16.836   3.192
  294    HA3  GLY  46           HA2      GLY  46   0.781  16.686   4.578
  295    H    PHE  47           H        PHE  47   1.670  13.865   2.725
  296    HA   PHE  47           HA       PHE  47   2.920  12.742   5.091
  297    HB2  PHE  47           HB2      PHE  47   2.530  11.468   2.375
  298    HB3  PHE  47           HB3      PHE  47   2.994  10.643   3.852
  299    HD1  PHE  47           HD1      PHE  47   0.722  12.760   5.154
  300    HD2  PHE  47           HD2      PHE  47   0.878   9.527   2.399
  301    HE1  PHE  47           HE1      PHE  47  -1.657  12.289   5.569
  302    HE2  PHE  47           HE2      PHE  47  -1.493   9.037   2.798
  303    HZ   PHE  47           HZ       PHE  47  -2.763  10.437   4.384
  304    H    THR  48           H        THR  48   4.997  11.707   5.029
  305    HA   THR  48           HA       THR  48   6.919  13.110   3.301
  306    HB   THR  48           HB       THR  48   7.477  11.392   5.730
  307    HG1  THR  48           HG1      THR  48   6.158  13.424   6.025
  308   HG21  THR  48          3HG2      THR  48   9.629  12.599   5.751
  309   HG22  THR  48          1HG2      THR  48   9.171  13.419   4.260
  310   HG23  THR  48          2HG2      THR  48   9.405  11.670   4.268
  311    H    VAL  49           H        VAL  49   7.130  11.961   1.399
  312    HA   VAL  49           HA       VAL  49   7.014   9.046   1.574
  313    HB   VAL  49           HB       VAL  49   6.390   8.936  -0.625
  314   HG11  VAL  49          2HG1      VAL  49   4.688  10.156   0.562
  315   HG12  VAL  49          1HG1      VAL  49   4.788  10.739  -1.101
  316   HG13  VAL  49          3HG1      VAL  49   5.492  11.685   0.208
  317   HG21  VAL  49          3HG2      VAL  49   8.305   9.972  -1.640
  318   HG22  VAL  49          2HG2      VAL  49   7.750  11.571  -1.144
  319   HG23  VAL  49          1HG2      VAL  49   6.833  10.651  -2.337
  320    H    ASN  50           H        ASN  50   8.718   7.796   1.495
  321    HA   ASN  50           HA       ASN  50  10.937   8.025  -0.161
  322    HB2  ASN  50           HB2      ASN  50  12.739   8.621   1.419
  323    HB3  ASN  50           HB3      ASN  50  11.649   9.985   1.143
  324   HD21  ASN  50          1HD2      ASN  50  12.772   7.583   3.427
  325   HD22  ASN  50          2HD2      ASN  50  12.041   8.287   4.828
  326    H    HIS  51           H        HIS  51   9.575   6.900   2.853
  327    HA   HIS  51           HA       HIS  51  11.963   5.775   3.752
  328    HB2  HIS  51           HB2      HIS  51  10.012   6.490   5.191
  329    HB3  HIS  51           HB3      HIS  51   9.253   4.958   4.768
  330    HD1  HIS  51           HD1      HIS  51   9.465   3.568   6.846
  331    HD2  HIS  51           HD2      HIS  51  13.005   5.522   5.902
  332    HE1  HIS  51           HE1      HIS  51  11.161   2.715   8.484
  333    HE2  HIS  51           HE2      HIS  51  13.330   3.787   7.789
  334    H    THR  52           H        THR  52  12.968   4.090   3.262
  335    HA   THR  52           HA       THR  52  12.300   1.746   2.066
  336    HB   THR  52           HB       THR  52  13.915   2.406   4.513
  337    HG1  THR  52           HG1      THR  52  14.332   2.141   1.792
  338   HG21  THR  52          3HG2      THR  52  13.194   0.075   4.827
  339   HG22  THR  52          1HG2      THR  52  14.912   0.144   4.437
  340   HG23  THR  52          2HG2      THR  52  13.746  -0.328   3.200
  341    HA   PRO  53           HA       PRO  53   8.517   0.504   3.986
  342    HB2  PRO  53           HB2      PRO  53   8.832  -2.247   3.637
  343    HB3  PRO  53           HB3      PRO  53   8.113  -1.123   2.485
  344    HG2  PRO  53           HG2      PRO  53  10.890  -2.203   2.594
  345    HG3  PRO  53           HG3      PRO  53   9.866  -1.877   1.184
  346    HD2  PRO  53           HD2      PRO  53  11.854  -0.228   1.835
  347    HD3  PRO  53           HD3      PRO  53  10.300   0.408   1.249
  348    H    SER  54           H        SER  54   7.613  -0.573   5.754
  349    HA   SER  54           HA       SER  54   9.195  -1.950   7.702
  350    HB2  SER  54           HB2      SER  54   8.243   0.866   8.343
  351    HB3  SER  54           HB3      SER  54   9.014  -0.248   9.470
  352    HG   SER  54           HG       SER  54  10.563  -0.003   7.304
  353    H    LYS  55           H        LYS  55   7.709  -2.168   9.792
  354    HA   LYS  55           HA       LYS  55   5.272  -3.248   8.785
  355    HB2  LYS  55           HB2      LYS  55   4.881  -4.121  10.913
  356    HB3  LYS  55           HB3      LYS  55   6.633  -4.096  10.786
  357    HG2  LYS  55           HG2      LYS  55   6.726  -2.095  12.129
  358    HG3  LYS  55           HG3      LYS  55   4.966  -2.030  12.198
  359    HD2  LYS  55           HD2      LYS  55   4.958  -4.229  13.318
  360    HD3  LYS  55           HD3      LYS  55   6.722  -4.213  13.319
  361    HE2  LYS  55           HE2      LYS  55   6.741  -2.244  14.723
  362    HE3  LYS  55           HE3      LYS  55   4.982  -2.134  14.639
  363    HZ1  LYS  55           HZ1      LYS  55   6.473  -4.414  15.825
  364    HZ2  LYS  55           HZ2      LYS  55   4.794  -4.194  15.827
  365    HZ3  LYS  55           HZ3      LYS  55   5.785  -3.142  16.714
  366    H    GLY  56           H        GLY  56   3.155  -2.692   9.285
  367    HA2  GLY  56           HA1      GLY  56   1.371  -1.308   9.716
  368    HA3  GLY  56           HA2      GLY  56   2.420  -0.415  10.807
  369    H    ALA  57           H        ALA  57   3.046  -0.921   7.402
  370    HA   ALA  57           HA       ALA  57   2.310   1.841   6.797
  371    HB1  ALA  57           HB1      ALA  57   4.466   2.267   5.718
  372    HB2  ALA  57           HB2      ALA  57   4.651   1.963   7.447
  373    HB3  ALA  57           HB3      ALA  57   5.050   0.699   6.282
  374    H    ILE  58           H        ILE  58   3.417   1.957   4.259
  375    HA   ILE  58           HA       ILE  58   2.314  -0.368   2.865
  376    HB   ILE  58           HB       ILE  58   1.673   2.426   1.944
  377   HG12  ILE  58          2HG1      ILE  58  -0.721   1.638   2.779
  378   HG13  ILE  58          3HG1      ILE  58   0.239   0.714   3.929
  379   HG21  ILE  58          2HG2      ILE  58  -0.032   1.283   0.617
  380   HG22  ILE  58          1HG2      ILE  58   0.495  -0.264   1.278
  381   HG23  ILE  58          3HG2      ILE  58   1.586   0.678   0.262
  382   HD11  ILE  58          3HD1      ILE  58   0.338   3.698   3.547
  383   HD12  ILE  58          2HD1      ILE  58   1.285   2.772   4.713
  384   HD13  ILE  58          1HD1      ILE  58  -0.472   2.842   4.861
  385    H    LEU  59           H        LEU  59   3.076  -0.613   0.717
  386    HA   LEU  59           HA       LEU  59   5.627   0.778   0.229
  387    HB2  LEU  59           HB2      LEU  59   5.682  -1.662   0.912
  388    HB3  LEU  59           HB3      LEU  59   4.866  -2.031  -0.591
  389    HG   LEU  59           HG       LEU  59   7.379  -2.380  -0.555
  390   HD11  LEU  59          2HD1      LEU  59   7.668  -1.517  -2.815
  391   HD12  LEU  59          1HD1      LEU  59   6.206  -0.549  -2.628
  392   HD13  LEU  59          3HD1      LEU  59   6.106  -2.309  -2.610
  393   HD21  LEU  59          3HD2      LEU  59   7.370   0.623  -0.659
  394   HD22  LEU  59          2HD2      LEU  59   8.772  -0.432  -0.826
  395   HD23  LEU  59          1HD2      LEU  59   7.906  -0.355   0.709
  396    H    GLN  60           H        GLN  60   5.734   1.929  -1.636
  397    HA   GLN  60           HA       GLN  60   3.659   1.419  -3.678
  398    HB2  GLN  60           HB2      GLN  60   3.439   3.646  -2.733
  399    HB3  GLN  60           HB3      GLN  60   5.139   3.985  -3.053
  400    HG2  GLN  60           HG2      GLN  60   4.543   3.472  -5.510
  401    HG3  GLN  60           HG3      GLN  60   2.870   3.727  -4.991
  402   HE21  GLN  60          1HE2      GLN  60   4.221   5.223  -6.923
  403   HE22  GLN  60          2HE2      GLN  60   4.346   6.847  -6.364
  404    H    SER  61           H        SER  61   4.165   0.911  -5.639
  405    HA   SER  61           HA       SER  61   6.905   1.363  -6.615
  406    HB2  SER  61           HB2      SER  61   6.303  -1.001  -6.650
  407    HB3  SER  61           HB3      SER  61   4.809  -0.635  -7.508
  408    HG   SER  61           HG       SER  61   7.384  -0.039  -8.538
  409    H    SER  62           H        SER  62   7.150   2.350  -8.636
  410    HA   SER  62           HA       SER  62   5.082   4.260  -9.241
  411    HB2  SER  62           HB2      SER  62   6.834   4.991 -10.977
  412    HB3  SER  62           HB3      SER  62   7.278   5.127  -9.275
  413    HG   SER  62           HG       SER  62   8.765   4.024 -10.934
  414    H    GLU  63           H        GLU  63   6.150   1.235 -10.509
  415    HA   GLU  63           HA       GLU  63   4.891   1.702 -13.097
  416    HB2  GLU  63           HB2      GLU  63   5.798  -0.601 -13.609
  417    HB3  GLU  63           HB3      GLU  63   7.001   0.635 -13.279
  418    HG2  GLU  63           HG2      GLU  63   7.156  -0.222 -10.951
  419    HG3  GLU  63           HG3      GLU  63   6.070  -1.531 -11.414
  420    H    GLY  64           H        GLY  64   3.387   0.133 -13.971
  421    HA2  GLY  64           HA1      GLY  64   1.929  -1.802 -13.461
  422    HA3  GLY  64           HA2      GLY  64   1.699  -1.082 -11.872
  423    HA   PRO  65           HA       PRO  65  -1.415   0.331 -15.394
  424    HB2  PRO  65           HB2      PRO  65  -3.563  -0.950 -14.109
  425    HB3  PRO  65           HB3      PRO  65  -2.785  -1.468 -15.606
  426    HG2  PRO  65           HG2      PRO  65  -2.364  -2.420 -12.817
  427    HG3  PRO  65           HG3      PRO  65  -2.310  -3.333 -14.337
  428    HD2  PRO  65           HD2      PRO  65  -0.068  -2.668 -13.039
  429    HD3  PRO  65           HD3      PRO  65  -0.139  -2.639 -14.814
  430    H    PHE  66           H        PHE  66  -2.156  -0.336 -11.979
  431    HA   PHE  66           HA       PHE  66  -2.942   2.484 -11.676
  432    HB2  PHE  66           HB2      PHE  66  -3.667   0.103  -9.947
  433    HB3  PHE  66           HB3      PHE  66  -4.173   1.763  -9.659
  434    HD1  PHE  66           HD2      PHE  66  -5.644   2.886 -11.366
  435    HD2  PHE  66           HD1      PHE  66  -4.874  -1.298 -11.377
  436    HE1  PHE  66           HE2      PHE  66  -7.631   2.529 -12.772
  437    HE2  PHE  66           HE1      PHE  66  -6.861  -1.664 -12.784
  438    HZ   PHE  66           HZ       PHE  66  -8.244   0.252 -13.480
  439    H    GLY  67           H        GLY  67  -0.344   0.703 -11.433
  440    HA2  GLY  67           HA1      GLY  67   1.653   1.115 -10.304
  441    HA3  GLY  67           HA2      GLY  67   0.779   2.156  -9.185
  442    H    HIS  68           H        HIS  68   2.319   0.822  -7.747
  443    HA   HIS  68           HA       HIS  68   0.828  -1.549  -6.789
  444    HB2  HIS  68           HB2      HIS  68   3.822  -1.081  -6.799
  445    HB3  HIS  68           HB3      HIS  68   3.030  -2.365  -5.889
  446    HD1  HIS  68           HD1      HIS  68   3.824  -1.363  -9.443
  447    HD2  HIS  68           HD2      HIS  68   2.332  -4.617  -7.321
  448    HE1  HIS  68           HE1      HIS  68   3.829  -3.284 -11.056
  449    HE2  HIS  68           HE2      HIS  68   2.989  -5.263  -9.742
  450    H    VAL  69           H        VAL  69  -0.258  -0.588  -4.984
  451    HA   VAL  69           HA       VAL  69   1.730   0.068  -2.932
  452    HB   VAL  69           HB       VAL  69  -0.142   1.113  -1.628
  453   HG11  VAL  69          2HG1      VAL  69  -0.026   3.213  -2.922
  454   HG12  VAL  69          1HG1      VAL  69   0.661   2.312  -4.273
  455   HG13  VAL  69          3HG1      VAL  69   1.542   2.424  -2.749
  456   HG21  VAL  69          3HG2      VAL  69  -2.024   0.114  -2.847
  457   HG22  VAL  69          2HG2      VAL  69  -1.559   1.007  -4.294
  458   HG23  VAL  69          1HG2      VAL  69  -2.112   1.876  -2.863
  459    H    ALA  70           H        ALA  70   2.178  -1.617  -1.867
  460    HA   ALA  70           HA       ALA  70   0.049  -3.499  -1.122
  461    HB1  ALA  70           HB1      ALA  70   1.840  -5.130  -0.756
  462    HB2  ALA  70           HB2      ALA  70   1.862  -4.515  -2.410
  463    HB3  ALA  70           HB3      ALA  70   3.036  -3.924  -1.234
  464    H    TYR  71           H        TYR  71  -0.526  -3.551   0.948
  465    HA   TYR  71           HA       TYR  71   0.680  -1.735   2.775
  466    HB2  TYR  71           HB2      TYR  71  -1.593  -1.984   3.163
  467    HB3  TYR  71           HB3      TYR  71  -1.547  -3.735   2.917
  468    HD1  TYR  71           HD2      TYR  71  -0.874  -1.025   5.329
  469    HD2  TYR  71           HD1      TYR  71  -1.047  -5.234   4.713
  470    HE1  TYR  71           HE2      TYR  71  -0.754  -1.382   7.762
  471    HE2  TYR  71           HE1      TYR  71  -0.923  -5.600   7.144
  472    HH   TYR  71           HH       TYR  71  -1.360  -3.118   9.415
  473    H    VAL  72           H        VAL  72   2.244  -2.056   4.200
  474    HA   VAL  72           HA       VAL  72   3.679  -4.579   4.029
  475    HB   VAL  72           HB       VAL  72   4.526  -2.119   5.548
  476   HG11  VAL  72          2HG1      VAL  72   5.786  -4.102   6.066
  477   HG12  VAL  72          1HG1      VAL  72   6.788  -3.007   5.111
  478   HG13  VAL  72          3HG1      VAL  72   6.056  -4.422   4.351
  479   HG21  VAL  72          3HG2      VAL  72   5.739  -1.382   3.568
  480   HG22  VAL  72          2HG2      VAL  72   4.004  -1.456   3.248
  481   HG23  VAL  72          1HG2      VAL  72   5.071  -2.728   2.643
  482    H    GLU  73           H        GLU  73   3.399  -6.107   5.492
  483    HA   GLU  73           HA       GLU  73   1.951  -5.594   7.914
  484    HB2  GLU  73           HB2      GLU  73   3.420  -8.099   7.076
  485    HB3  GLU  73           HB3      GLU  73   2.235  -7.969   8.367
  486    HG2  GLU  73           HG2      GLU  73   0.559  -7.298   6.626
  487    HG3  GLU  73           HG3      GLU  73   1.767  -7.720   5.410
  488    H    SER  74           H        SER  74   5.299  -6.090   6.988
  489    HA   SER  74           HA       SER  74   6.443  -4.945   9.234
  490    HB2  SER  74           HB2      SER  74   5.398  -6.934  10.395
  491    HB3  SER  74           HB3      SER  74   6.468  -7.964   9.446
  492    HG   SER  74           HG       SER  74   8.118  -7.391  10.645
  493    H    VAL  75           H        VAL  75   8.781  -5.354   9.377
  494    HA   VAL  75           HA       VAL  75   9.896  -6.280   6.823
  495    HB   VAL  75           HB       VAL  75  10.563  -4.008   7.519
  496   HG11  VAL  75          2HG1      VAL  75  12.026  -3.677   9.461
  497   HG12  VAL  75          1HG1      VAL  75  11.800  -5.368   9.911
  498   HG13  VAL  75          3HG1      VAL  75  10.428  -4.259   9.926
  499   HG21  VAL  75          3HG2      VAL  75  12.845  -5.981   7.631
  500   HG22  VAL  75          2HG2      VAL  75  12.979  -4.261   7.263
  501   HG23  VAL  75          1HG2      VAL  75  12.108  -5.334   6.166
  502    H    ASN  76           H        ASN  76  11.462  -7.903   6.773
  503    HA   ASN  76           HA       ASN  76  11.285  -9.712   9.039
  504    HB2  ASN  76           HB2      ASN  76  12.450 -10.080   6.273
  505    HB3  ASN  76           HB3      ASN  76  12.419 -11.332   7.511
  506   HD21  ASN  76          1HD2      ASN  76  10.569  -9.514   5.228
  507   HD22  ASN  76          2HD2      ASN  76   9.098 -10.424   5.372
  508    H    SER  77           H        SER  77  13.396 -11.047   9.389
  509    HA   SER  77           HA       SER  77  15.242  -9.275  10.595
  510    HB2  SER  77           HB2      SER  77  15.558 -12.246  10.112
  511    HB3  SER  77           HB3      SER  77  16.366 -11.276  11.347
  512    HG   SER  77           HG       SER  77  14.553 -11.171  12.500
  513    H    ASP  78           H        ASP  78  15.019 -10.370   7.412
  514    HA   ASP  78           HA       ASP  78  17.921 -10.321   7.010
  515    HB2  ASP  78           HB2      ASP  78  15.764 -11.191   5.079
  516    HB3  ASP  78           HB3      ASP  78  17.501 -11.376   4.861
  517    H    GLY  79           H        GLY  79  15.405  -8.204   6.899
  518    HA2  GLY  79           HA1      GLY  79  15.745  -5.937   6.242
  519    HA3  GLY  79           HA2      GLY  79  16.866  -6.494   5.007
  520    H    SER  80           H        SER  80  14.781  -8.666   4.423
  521    HA   SER  80           HA       SER  80  13.356  -7.213   2.407
  522    HB2  SER  80           HB2      SER  80  12.266  -9.581   2.158
  523    HB3  SER  80           HB3      SER  80  13.955  -9.351   1.700
  524    HG   SER  80           HG       SER  80  14.277 -10.943   3.044
  525    H    VAL  81           H        VAL  81  11.083  -6.925   2.288
  526    HA   VAL  81           HA       VAL  81   9.834  -6.950   4.958
  527    HB   VAL  81           HB       VAL  81   8.391  -5.118   4.192
  528   HG11  VAL  81          2HG1      VAL  81  11.342  -4.602   3.850
  529   HG12  VAL  81          1HG1      VAL  81  10.443  -4.586   5.367
  530   HG13  VAL  81          3HG1      VAL  81  10.118  -3.367   4.135
  531   HG21  VAL  81          3HG2      VAL  81   8.341  -5.589   1.813
  532   HG22  VAL  81          2HG2      VAL  81  10.061  -5.214   1.681
  533   HG23  VAL  81          1HG2      VAL  81   8.910  -3.944   2.094
  534    H    THR  82           H        THR  82   7.811  -7.718   5.259
  535    HA   THR  82           HA       THR  82   6.712  -9.370   3.118
  536    HB   THR  82           HB       THR  82   5.988  -9.216   6.059
  537    HG1  THR  82           HG1      THR  82   7.130 -11.501   4.940
  538   HG21  THR  82          3HG2      THR  82   4.704 -11.255   5.673
  539   HG22  THR  82          1HG2      THR  82   5.115 -11.210   3.958
  540   HG23  THR  82          2HG2      THR  82   4.097  -9.949   4.654
  541    H    ILE  83           H        ILE  83   5.140  -8.573   1.892
  542    HA   ILE  83           HA       ILE  83   3.464  -6.411   2.995
  543    HB   ILE  83           HB       ILE  83   3.299  -5.486   0.714
  544   HG12  ILE  83          2HG1      ILE  83   5.416  -7.532   0.016
  545   HG13  ILE  83          3HG1      ILE  83   3.735  -7.597  -0.501
  546   HG21  ILE  83          2HG2      ILE  83   5.586  -4.580   0.571
  547   HG22  ILE  83          1HG2      ILE  83   6.117  -5.786   1.742
  548   HG23  ILE  83          3HG2      ILE  83   4.948  -4.553   2.216
  549   HD11  ILE  83          3HD1      ILE  83   5.190  -6.778  -2.266
  550   HD12  ILE  83          2HD1      ILE  83   5.715  -5.452  -1.228
  551   HD13  ILE  83          1HD1      ILE  83   4.038  -5.539  -1.764
  552    H    SER  84           H        SER  84   1.328  -6.238   2.058
  553    HA   SER  84           HA       SER  84   0.373  -8.573   0.596
  554    HB2  SER  84           HB2      SER  84  -0.818  -7.612   3.208
  555    HB3  SER  84           HB3      SER  84  -1.571  -8.795   2.139
  556    HG   SER  84           HG       SER  84   1.014  -9.433   2.678
  557    H    GLU  85           H        GLU  85  -0.518  -7.758  -1.146
  558    HA   GLU  85           HA       GLU  85  -2.352  -5.486  -0.840
  559    HB2  GLU  85           HB2      GLU  85  -1.814  -4.839  -3.180
  560    HB3  GLU  85           HB3      GLU  85  -0.429  -4.722  -2.107
  561    HG2  GLU  85           HG2      GLU  85   0.375  -6.891  -2.961
  562    HG3  GLU  85           HG3      GLU  85  -0.981  -6.925  -4.084
  563    H    MET  86           H        MET  86  -4.366  -6.181  -1.032
  564    HA   MET  86           HA       MET  86  -5.018  -8.653  -2.295
  565    HB2  MET  86           HB2      MET  86  -6.433  -6.636  -0.731
  566    HB3  MET  86           HB3      MET  86  -7.414  -7.340  -2.007
  567    HG2  MET  86           HG2      MET  86  -7.808  -8.651  -0.128
  568    HG3  MET  86           HG3      MET  86  -6.708  -9.590  -1.123
  569    HE1  MET  86           HE1      MET  86  -7.442  -9.567   2.239
  570    HE2  MET  86           HE2      MET  86  -6.693 -10.909   1.368
  571    HE3  MET  86           HE3      MET  86  -5.894 -10.217   2.781
  572    H    ASN  87           H        ASN  87  -5.969  -9.064  -4.163
  573    HA   ASN  87           HA       ASN  87  -6.621  -8.873  -6.315
  574    HB2  ASN  87           HB2      ASN  87  -8.425  -7.483  -5.440
  575    HB3  ASN  87           HB3      ASN  87  -7.394  -6.060  -5.526
  576   HD21  ASN  87          1HD2      ASN  87  -7.038  -5.085  -7.504
  577   HD22  ASN  87          2HD2      ASN  87  -7.931  -5.493  -8.926
  578    H    TYR  88           H        TYR  88  -5.266  -5.636  -5.621
  579    HA   TYR  88           HA       TYR  88  -3.853  -4.310  -6.793
  580    HB2  TYR  88           HB2      TYR  88  -2.060  -5.761  -6.360
  581    HB3  TYR  88           HB3      TYR  88  -2.702  -7.022  -7.404
  582    HD1  TYR  88           HD1      TYR  88  -1.711  -3.426  -7.822
  583    HD2  TYR  88           HD2      TYR  88  -1.437  -7.419  -9.264
  584    HE1  TYR  88           HE1      TYR  88  -0.281  -2.658  -9.669
  585    HE2  TYR  88           HE2      TYR  88  -0.004  -6.663 -11.109
  586    HH   TYR  88           HH       TYR  88   0.482  -4.652 -12.351
  587    H    SER  89           H        SER  89  -4.161  -6.998  -9.080
  588    HA   SER  89           HA       SER  89  -6.007  -5.754 -10.801
  589    HB2  SER  89           HB2      SER  89  -4.110  -4.226 -11.257
  590    HB3  SER  89           HB3      SER  89  -3.105  -5.608 -11.686
  591    HG   SER  89           HG       SER  89  -3.893  -5.468 -13.611
  592    H    GLY  90           H        GLY  90  -6.847  -7.872 -10.636
  593    HA2  GLY  90           HA1      GLY  90  -6.295  -9.654 -12.641
  594    HA3  GLY  90           HA2      GLY  90  -5.224 -10.143 -11.338
  595    H    GLY  91           H        GLY  91  -6.525 -10.139  -9.111
  596    HA2  GLY  91           HA1      GLY  91  -9.115 -11.459  -9.572
  597    HA3  GLY  91           HA2      GLY  91  -7.859 -12.308  -8.683
  598    HA   PRO  92           HA       PRO  92 -10.292  -8.776  -6.235
  599    HB2  PRO  92           HB2      PRO  92 -12.484 -10.767  -5.962
  600    HB3  PRO  92           HB3      PRO  92 -12.572  -9.009  -6.131
  601    HG2  PRO  92           HG2      PRO  92 -13.184 -10.592  -8.179
  602    HG3  PRO  92           HG3      PRO  92 -12.278  -9.086  -8.435
  603    HD2  PRO  92           HD2      PRO  92 -11.288 -11.908  -8.372
  604    HD3  PRO  92           HD3      PRO  92 -10.810 -10.569  -9.437
  605    H    PHE  93           H        PHE  93  -9.291  -8.832  -4.381
  606    HA   PHE  93           HA       PHE  93  -8.745  -9.334  -2.257
  607    HB2  PHE  93           HB2      PHE  93 -10.670 -11.631  -2.583
  608    HB3  PHE  93           HB3      PHE  93  -9.813 -11.257  -1.090
  609    HD1  PHE  93           HD2      PHE  93 -10.346  -9.242   0.171
  610    HD2  PHE  93           HD1      PHE  93 -12.530 -10.310  -3.319
  611    HE1  PHE  93           HE2      PHE  93 -12.137  -7.687   0.822
  612    HE2  PHE  93           HE1      PHE  93 -14.324  -8.756  -2.677
  613    HZ   PHE  93           HZ       PHE  93 -14.133  -7.442  -0.602
  614    H    SER  94           H        SER  94  -7.741 -10.908  -4.856
  615    HA   SER  94           HA       SER  94  -6.309 -13.058  -3.668
  616    HB2  SER  94           HB2      SER  94  -5.749 -11.509  -6.209
  617    HB3  SER  94           HB3      SER  94  -4.887 -12.971  -5.712
  618    HG   SER  94           HG       SER  94  -7.302 -13.735  -5.548
  619    H    VAL  95           H        VAL  95  -5.461 -12.192  -1.790
  620    HA   VAL  95           HA       VAL  95  -3.813  -9.973  -1.617
  621    HB   VAL  95           HB       VAL  95  -4.596 -10.938   0.408
  622   HG11  VAL  95          2HG1      VAL  95  -4.855 -13.236  -0.275
  623   HG12  VAL  95          1HG1      VAL  95  -3.900 -13.155   1.206
  624   HG13  VAL  95          3HG1      VAL  95  -3.106 -13.444  -0.343
  625   HG21  VAL  95          3HG2      VAL  95  -2.423  -9.863   0.565
  626   HG22  VAL  95          2HG2      VAL  95  -1.626 -11.398   0.228
  627   HG23  VAL  95          1HG2      VAL  95  -2.553 -11.195   1.714
  628    H    SER  96           H        SER  96  -2.102  -9.610  -2.868
  629    HA   SER  96           HA       SER  96  -0.557 -11.644  -4.080
  630    HB2  SER  96           HB2      SER  96  -0.814  -9.309  -4.958
  631    HB3  SER  96           HB3      SER  96   0.216  -8.746  -3.643
  632    HG   SER  96           HG       SER  96   1.667  -9.075  -5.177
  633    H    SER  97           H        SER  97   0.625 -12.996  -2.944
  634    HA   SER  97           HA       SER  97   1.820 -12.208  -0.431
  635    HB2  SER  97           HB2      SER  97   2.659 -14.705  -0.654
  636    HB3  SER  97           HB3      SER  97   0.985 -14.352  -0.223
  637    HG   SER  97           HG       SER  97   1.862 -15.746  -2.285
  638    H    ARG  98           H        ARG  98   3.484 -10.860  -0.809
  639    HA   ARG  98           HA       ARG  98   5.637 -11.817  -2.550
  640    HB2  ARG  98           HB2      ARG  98   4.160 -10.231  -3.778
  641    HB3  ARG  98           HB3      ARG  98   4.514  -9.010  -2.563
  642    HG2  ARG  98           HG2      ARG  98   6.880  -9.103  -3.177
  643    HG3  ARG  98           HG3      ARG  98   6.494 -10.309  -4.406
  644    HD2  ARG  98           HD2      ARG  98   5.180  -8.763  -5.638
  645    HD3  ARG  98           HD3      ARG  98   5.234  -7.579  -4.336
  646    HE   ARG  98           HE       ARG  98   7.778  -7.655  -4.862
  647   HH11  ARG  98          2HH1      ARG  98   5.184  -7.920  -7.200
  648   HH12  ARG  98          1HH1      ARG  98   6.076  -7.135  -8.472
  649   HH21  ARG  98          2HH2      ARG  98   8.958  -6.600  -6.516
  650   HH22  ARG  98          1HH2      ARG  98   8.229  -6.416  -8.086
  651    H    THR  99           H        THR  99   7.680 -11.296  -1.899
  652    HA   THR  99           HA       THR  99   7.924  -9.723   0.584
  653    HB   THR  99           HB       THR  99   9.762 -11.965  -0.278
  654    HG1  THR  99           HG1      THR  99   7.309 -12.023   1.036
  655   HG21  THR  99          3HG2      THR  99   9.404 -10.537   2.363
  656   HG22  THR  99          1HG2      THR  99  10.761 -10.351   1.254
  657   HG23  THR  99          2HG2      THR  99  10.495 -11.893   2.068
  658    H    ILE 100           H        ILE 100   8.920  -7.852   0.214
  659    HA   ILE 100           HA       ILE 100  10.410  -7.444  -2.243
  660    HB   ILE 100           HB       ILE 100   9.913  -5.476   0.000
  661   HG12  ILE 100          2HG1      ILE 100   7.783  -6.294  -0.944
  662   HG13  ILE 100          3HG1      ILE 100   8.068  -4.599  -1.330
  663   HG21  ILE 100          2HG2      ILE 100  10.722  -5.062  -2.872
  664   HG22  ILE 100          1HG2      ILE 100  11.753  -4.859  -1.456
  665   HG23  ILE 100          3HG2      ILE 100  10.376  -3.786  -1.707
  666   HD11  ILE 100          3HD1      ILE 100   8.789  -5.235  -3.572
  667   HD12  ILE 100          2HD1      ILE 100   7.154  -5.799  -3.229
  668   HD13  ILE 100          1HD1      ILE 100   8.507  -6.930  -3.181
  669    H    SER 101           H        SER 101  12.546  -7.776  -2.369
  670    HA   SER 101           HA       SER 101  14.201  -8.106  -0.068
  671    HB2  SER 101           HB2      SER 101  14.660  -9.159  -2.294
  672    HB3  SER 101           HB3      SER 101  15.045  -7.558  -2.927
  673    HG   SER 101           HG       SER 101  16.359  -8.701  -0.679
  674    H    ALA 102           H        ALA 102  15.883  -6.708   0.655
  675    HA   ALA 102           HA       ALA 102  15.165  -4.104   1.143
  676    HB1  ALA 102           HB1      ALA 102  17.986  -5.156   1.036
  677    HB2  ALA 102           HB2      ALA 102  17.427  -3.737   1.921
  678    HB3  ALA 102           HB3      ALA 102  16.875  -5.343   2.393
  679    H    SER 103           H        SER 103  17.247  -5.266  -1.485
  680    HA   SER 103           HA       SER 103  18.130  -2.771  -2.407
  681    HB2  SER 103           HB2      SER 103  18.390  -4.116  -4.616
  682    HB3  SER 103           HB3      SER 103  19.318  -4.621  -3.203
  683    HG   SER 103           HG       SER 103  18.349  -6.433  -4.062
  684    H    GLU 104           H        GLU 104  15.448  -4.796  -3.544
  685    HA   GLU 104           HA       GLU 104  14.408  -2.945  -5.421
  686    HB2  GLU 104           HB2      GLU 104  13.947  -5.457  -5.210
  687    HB3  GLU 104           HB3      GLU 104  12.828  -5.038  -3.922
  688    HG2  GLU 104           HG2      GLU 104  11.569  -3.640  -5.515
  689    HG3  GLU 104           HG3      GLU 104  12.663  -4.161  -6.795
  690    H    ALA 105           H        ALA 105  13.780  -3.560  -2.012
  691    HA   ALA 105           HA       ALA 105  11.594  -1.864  -1.628
  692    HB1  ALA 105           HB1      ALA 105  12.248  -1.849   0.731
  693    HB2  ALA 105           HB2      ALA 105  12.342  -3.471   0.042
  694    HB3  ALA 105           HB3      ALA 105  13.815  -2.536   0.299
  695    H    GLY 106           H        GLY 106  14.963  -1.187  -2.019
  696    HA2  GLY 106           HA1      GLY 106  15.109   1.339  -0.821
  697    HA3  GLY 106           HA2      GLY 106  16.174   0.748  -2.081
  698    H    ASN 107           H        ASN 107  13.679   0.495  -3.922
  699    HA   ASN 107           HA       ASN 107  13.879   3.299  -4.746
  700    HB2  ASN 107           HB2      ASN 107  13.058   2.659  -6.920
  701    HB3  ASN 107           HB3      ASN 107  14.365   1.581  -6.460
  702   HD21  ASN 107          1HD2      ASN 107  10.835   1.834  -6.673
  703   HD22  ASN 107          2HD2      ASN 107  10.562   0.144  -6.899
  704    H    TYR 108           H        TYR 108  11.679   1.303  -3.131
  705    HA   TYR 108           HA       TYR 108   9.318   2.474  -4.283
  706    HB2  TYR 108           HB2      TYR 108   9.738   0.620  -1.954
  707    HB3  TYR 108           HB3      TYR 108   8.164   1.103  -2.573
  708    HD1  TYR 108           HD2      TYR 108   8.291   0.886  -5.390
  709    HD2  TYR 108           HD1      TYR 108  10.190  -1.566  -2.487
  710    HE1  TYR 108           HE2      TYR 108   8.323  -0.974  -6.991
  711    HE2  TYR 108           HE1      TYR 108  10.214  -3.435  -4.075
  712    HH   TYR 108           HH       TYR 108   9.349  -4.200  -6.039
  713    H    ASN 109           H        ASN 109   7.595   3.299  -2.703
  714    HA   ASN 109           HA       ASN 109   8.887   5.258  -0.921
  715    HB2  ASN 109           HB2      ASN 109   6.467   5.657  -2.691
  716    HB3  ASN 109           HB3      ASN 109   7.053   6.830  -1.518
  717   HD21  ASN 109          1HD2      ASN 109   6.742   7.016  -4.411
  718   HD22  ASN 109          2HD2      ASN 109   8.297   7.465  -5.028
  719    H    TYR 110           H        TYR 110   8.443   4.803   1.102
  720    HA   TYR 110           HA       TYR 110   5.745   4.015   1.936
  721    HB2  TYR 110           HB2      TYR 110   7.429   2.760   3.040
  722    HB3  TYR 110           HB3      TYR 110   8.466   4.149   3.233
  723    HD1  TYR 110           HD1      TYR 110   5.766   5.653   4.516
  724    HD2  TYR 110           HD2      TYR 110   8.136   2.217   5.332
  725    HE1  TYR 110           HE1      TYR 110   5.174   5.819   6.890
  726    HE2  TYR 110           HE2      TYR 110   7.535   2.364   7.709
  727    HH   TYR 110           HH       TYR 110   5.025   4.182   8.874
  728    H    ILE 111           H        ILE 111   4.353   5.511   2.604
  729    HA   ILE 111           HA       ILE 111   5.320   8.261   2.591
  730    HB   ILE 111           HB       ILE 111   2.891   8.872   2.483
  731   HG12  ILE 111          2HG1      ILE 111   2.511   5.901   2.056
  732   HG13  ILE 111          3HG1      ILE 111   2.004   6.772   3.494
  733   HG21  ILE 111          2HG2      ILE 111   3.999   7.023   0.371
  734   HG22  ILE 111          1HG2      ILE 111   4.249   8.766   0.494
  735   HG23  ILE 111          3HG2      ILE 111   2.644   8.130   0.134
  736   HD11  ILE 111          3HD1      ILE 111   0.962   7.175   0.686
  737   HD12  ILE 111          2HD1      ILE 111   0.482   8.128   2.095
  738   HD13  ILE 111          1HD1      ILE 111   0.109   6.405   2.028
  739    H    HIS 112           H        HIS 112   5.972   9.026   4.421
  740    HA   HIS 112           HA       HIS 112   5.264   7.974   6.964
  741    HB2  HIS 112           HB2      HIS 112   7.105   9.943   5.884
  742    HB3  HIS 112           HB3      HIS 112   6.393  10.479   7.401
  743    HD1  HIS 112           HD1      HIS 112   7.365   9.568   9.482
  744    HD2  HIS 112           HD2      HIS 112   8.518   7.396   6.118
  745    HE1  HIS 112           HE1      HIS 112   9.122   7.959  10.284
  746    HE2  HIS 112           HE2      HIS 112   9.956   6.820   8.209
  747    H    ILE 113           H        ILE 113   4.006   8.760   8.559
  748    HA   ILE 113           HA       ILE 113   1.963  10.697   7.828
  749    HB   ILE 113           HB       ILE 113   2.311   9.232  10.457
  750   HG12  ILE 113          2HG1      ILE 113   0.595   8.466   8.081
  751   HG13  ILE 113          3HG1      ILE 113   2.097   7.669   8.537
  752   HG21  ILE 113          2HG2      ILE 113   0.872  11.185  10.597
  753   HG22  ILE 113          1HG2      ILE 113  -0.087   9.709  10.728
  754   HG23  ILE 113          3HG2      ILE 113  -0.065  10.617   9.216
  755   HD11  ILE 113          3HD1      ILE 113  -0.397   7.793  10.216
  756   HD12  ILE 113          2HD1      ILE 113   1.102   6.964  10.639
  757   HD13  ILE 113          1HD1      ILE 113   0.144   6.412   9.264
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1 -24.043  10.064   9.678
    2    H2   GLY   1           H2       GLY   1 -23.336  10.359   8.166
    3    H3   GLY   1           H3       GLY   1 -22.520  10.806   9.586
    4    HA2  GLY   1           HA2      GLY   1 -23.163   8.023   8.776
    5    HA3  GLY   1           HA1      GLY   1 -21.590   8.790   8.601
    6    H    SER   2           H        SER   2 -22.012   6.427  10.056
    7    HA   SER   2           HA       SER   2 -20.731   7.135  12.488
    8    HB2  SER   2           HB2      SER   2 -23.004   7.652  13.216
    9    HB3  SER   2           HB3      SER   2 -23.563   6.069  12.673
   10    HG   SER   2           HG       SER   2 -23.154   5.579  14.692
   11    H    SER   3           H        SER   3 -19.425   5.532  13.041
   12    HA   SER   3           HA       SER   3 -18.580   3.478  13.435
   13    HB2  SER   3           HB2      SER   3 -21.350   2.456  12.786
   14    HB3  SER   3           HB3      SER   3 -20.093   1.593  13.675
   15    HG   SER   3           HG       SER   3 -21.341   4.026  14.471
   16    H    ILE   4           H        ILE   4 -18.662   1.081  12.337
   17    HA   ILE   4           HA       ILE   4 -18.006   1.577   9.511
   18    HB   ILE   4           HB       ILE   4 -17.205  -0.829  11.165
   19   HG12  ILE   4          2HG1      ILE   4 -16.329   1.209  12.238
   20   HG13  ILE   4          3HG1      ILE   4 -15.035   0.252  11.528
   21   HG21  ILE   4          2HG2      ILE   4 -16.027   0.332   8.639
   22   HG22  ILE   4          1HG2      ILE   4 -17.059  -1.095   8.729
   23   HG23  ILE   4          3HG2      ILE   4 -15.465  -1.112   9.483
   24   HD11  ILE   4          3HD1      ILE   4 -16.252   2.745  10.358
   25   HD12  ILE   4          2HD1      ILE   4 -14.985   1.776   9.605
   26   HD13  ILE   4          1HD1      ILE   4 -14.672   2.606  11.130
   27    H    SER   5           H        SER   5 -20.681   1.315  10.382
   28    HA   SER   5           HA       SER   5 -21.733  -1.281  10.155
   29    HB2  SER   5           HB2      SER   5 -23.113   1.343   9.535
   30    HB3  SER   5           HB3      SER   5 -23.892  -0.180   9.965
   31    HG   SER   5           HG       SER   5 -23.621   0.328  11.974
   32    H    HIS   6           H        HIS   6 -21.590   1.380   7.783
   33    HA   HIS   6           HA       HIS   6 -22.143  -0.418   5.595
   34    HB2  HIS   6           HB2      HIS   6 -21.212   2.463   5.656
   35    HB3  HIS   6           HB3      HIS   6 -21.482   1.565   4.169
   36    HD1  HIS   6           HD1      HIS   6 -23.868   1.342   3.346
   37    HD2  HIS   6           HD2      HIS   6 -23.588   3.070   7.121
   38    HE1  HIS   6           HE1      HIS   6 -26.160   2.247   3.853
   39    HE2  HIS   6           HE2      HIS   6 -25.953   3.351   6.109
   40    H    SER   7           H        SER   7 -19.401   1.755   6.147
   41    HA   SER   7           HA       SER   7 -17.462  -0.220   6.485
   42    HB2  SER   7           HB2      SER   7 -17.880  -0.711   4.089
   43    HB3  SER   7           HB3      SER   7 -17.524   0.969   3.689
   44    HG   SER   7           HG       SER   7 -15.828  -1.083   4.014
   45    H    GLY   8           H        GLY   8 -15.315   0.716   6.647
   46    HA2  GLY   8           HA1      GLY   8 -15.415   3.617   7.120
   47    HA3  GLY   8           HA2      GLY   8 -14.208   2.511   7.769
   48    H    ASN   9           H        ASN   9 -14.865   1.752   4.611
   49    HA   ASN   9           HA       ASN   9 -12.484   3.215   3.691
   50    HB2  ASN   9           HB2      ASN   9 -12.415   0.668   3.841
   51    HB3  ASN   9           HB3      ASN   9 -13.586   0.658   2.527
   52   HD21  ASN   9          1HD2      ASN   9 -10.809  -0.302   2.733
   53   HD22  ASN   9          2HD2      ASN   9  -9.976   0.436   1.412
   54    H    LEU  10           H        LEU  10 -12.600   4.366   1.801
   55    HA   LEU  10           HA       LEU  10 -15.313   4.905   0.854
   56    HB2  LEU  10           HB2      LEU  10 -12.722   6.354   0.391
   57    HB3  LEU  10           HB3      LEU  10 -14.297   6.910  -0.144
   58    HG   LEU  10           HG       LEU  10 -13.396   6.616   2.724
   59   HD11  LEU  10          2HD1      LEU  10 -12.401   8.525   1.583
   60   HD12  LEU  10          1HD1      LEU  10 -13.577   9.047   2.788
   61   HD13  LEU  10          3HD1      LEU  10 -14.000   9.066   1.076
   62   HD21  LEU  10          3HD2      LEU  10 -15.764   6.087   2.487
   63   HD22  LEU  10          2HD2      LEU  10 -16.023   7.599   1.617
   64   HD23  LEU  10          1HD2      LEU  10 -15.540   7.630   3.313
   65    H    TYR  11           H        TYR  11 -12.735   3.008  -0.105
   66    HA   TYR  11           HA       TYR  11 -12.890   3.689  -2.926
   67    HB2  TYR  11           HB2      TYR  11 -10.800   2.910  -1.433
   68    HB3  TYR  11           HB3      TYR  11 -11.309   1.335  -2.034
   69    HD1  TYR  11           HD1      TYR  11 -10.299   4.732  -3.111
   70    HD2  TYR  11           HD2      TYR  11 -10.750   0.655  -4.230
   71    HE1  TYR  11           HE1      TYR  11  -9.110   5.188  -5.211
   72    HE2  TYR  11           HE2      TYR  11  -9.566   1.098  -6.341
   73    HH   TYR  11           HH       TYR  11  -9.050   2.993  -7.820
   74    H    THR  12           H        THR  12 -12.452   1.191  -4.072
   75    HA   THR  12           HA       THR  12 -15.147   0.453  -4.543
   76    HB   THR  12           HB       THR  12 -12.750  -1.135  -5.446
   77    HG1  THR  12           HG1      THR  12 -13.656   1.412  -6.366
   78   HG21  THR  12          3HG2      THR  12 -14.068  -1.454  -7.470
   79   HG22  THR  12          1HG2      THR  12 -15.352  -0.433  -6.818
   80   HG23  THR  12          2HG2      THR  12 -14.980  -1.978  -6.055
   81    H    ALA  13           H        ALA  13 -12.915  -2.176  -4.376
   82    HA   ALA  13           HA       ALA  13 -13.561  -3.241  -1.867
   83    HB1  ALA  13           HB1      ALA  13 -15.795  -3.514  -2.837
   84    HB2  ALA  13           HB2      ALA  13 -15.102  -4.425  -4.179
   85    HB3  ALA  13           HB3      ALA  13 -15.033  -5.077  -2.542
   86    H    GLY  14           H        GLY  14 -11.904  -4.526  -1.422
   87    HA2  GLY  14           HA1      GLY  14 -10.215  -6.053  -1.643
   88    HA3  GLY  14           HA2      GLY  14 -11.082  -6.673  -3.037
   89    H    GLN  15           H        GLN  15 -10.175  -3.357  -3.114
   90    HA   GLN  15           HA       GLN  15  -8.409  -3.883  -5.343
   91    HB2  GLN  15           HB2      GLN  15  -9.315  -1.320  -4.021
   92    HB3  GLN  15           HB3      GLN  15  -8.224  -1.368  -5.398
   93    HG2  GLN  15           HG2      GLN  15 -10.950  -2.622  -5.456
   94    HG3  GLN  15           HG3      GLN  15 -10.663  -0.937  -5.888
   95   HE21  GLN  15          1HE2      GLN  15  -9.965  -4.257  -6.729
   96   HE22  GLN  15          2HE2      GLN  15  -9.576  -3.946  -8.381
   97    H    CYS  16           H        CYS  16  -6.259  -2.855  -5.468
   98    HA   CYS  16           HA       CYS  16  -4.598  -3.659  -3.360
   99    HB2  CYS  16           HB2      CYS  16  -2.890  -2.152  -4.606
  100    HB3  CYS  16           HB3      CYS  16  -3.543  -3.560  -5.437
  101    HG   CYS  16           HG       CYS  16  -4.351  -2.274  -7.490
  102    H    THR  17           H        THR  17  -5.781  -0.462  -4.311
  103    HA   THR  17           HA       THR  17  -4.450   0.896  -2.155
  104    HB   THR  17           HB       THR  17  -6.038   2.783  -2.824
  105    HG1  THR  17           HG1      THR  17  -7.094   2.439  -4.850
  106   HG21  THR  17          3HG2      THR  17  -4.282   1.607  -4.978
  107   HG22  THR  17          1HG2      THR  17  -3.730   2.620  -3.646
  108   HG23  THR  17          2HG2      THR  17  -4.811   3.286  -4.866
  109    H    TRP  18           H        TRP  18  -7.543  -0.577  -2.706
  110    HA   TRP  18           HA       TRP  18  -8.979   0.550  -0.560
  111    HB2  TRP  18           HB2      TRP  18 -10.000  -0.600  -2.503
  112    HB3  TRP  18           HB3      TRP  18  -9.350  -2.126  -1.923
  113    HD1  TRP  18           HD1      TRP  18 -12.130   0.413  -1.240
  114    HE1  TRP  18           HE1      TRP  18 -13.872  -0.701   0.288
  115    HE3  TRP  18           HE3      TRP  18  -9.589  -3.877  -0.050
  116    HZ2  TRP  18           HZ2      TRP  18 -14.138  -3.055   1.818
  117    HZ3  TRP  18           HZ3      TRP  18 -10.663  -5.494   1.458
  118    HH2  TRP  18           HH2      TRP  18 -12.888  -5.093   2.373
  119    H    TYR  19           H        TYR  19  -7.182  -2.517  -0.877
  120    HA   TYR  19           HA       TYR  19  -7.719  -3.460   1.720
  121    HB2  TYR  19           HB2      TYR  19  -6.853  -4.872  -0.105
  122    HB3  TYR  19           HB3      TYR  19  -5.315  -4.019  -0.027
  123    HD1  TYR  19           HD1      TYR  19  -7.629  -5.882   2.253
  124    HD2  TYR  19           HD2      TYR  19  -3.610  -5.014   1.166
  125    HE1  TYR  19           HE1      TYR  19  -6.833  -7.479   3.948
  126    HE2  TYR  19           HE2      TYR  19  -2.802  -6.611   2.849
  127    HH   TYR  19           HH       TYR  19  -4.834  -8.845   4.422
  128    H    VAL  20           H        VAL  20  -4.988  -1.592   0.442
  129    HA   VAL  20           HA       VAL  20  -3.487  -1.396   2.777
  130    HB   VAL  20           HB       VAL  20  -3.804   0.642   0.568
  131   HG11  VAL  20          2HG1      VAL  20  -1.707   0.451   2.728
  132   HG12  VAL  20          1HG1      VAL  20  -2.932   1.709   2.570
  133   HG13  VAL  20          3HG1      VAL  20  -1.662   1.557   1.355
  134   HG21  VAL  20          3HG2      VAL  20  -1.695  -0.294  -0.258
  135   HG22  VAL  20          2HG2      VAL  20  -2.964  -1.515  -0.196
  136   HG23  VAL  20          1HG2      VAL  20  -1.711  -1.479   1.045
  137    H    TYR  21           H        TYR  21  -6.106   0.707   1.614
  138    HA   TYR  21           HA       TYR  21  -5.989   2.535   3.759
  139    HB2  TYR  21           HB2      TYR  21  -7.134   2.901   1.539
  140    HB3  TYR  21           HB3      TYR  21  -8.436   1.867   2.115
  141    HD1  TYR  21           HD1      TYR  21  -6.524   4.890   3.161
  142    HD2  TYR  21           HD2      TYR  21 -10.254   2.859   3.124
  143    HE1  TYR  21           HE1      TYR  21  -7.576   6.831   4.232
  144    HE2  TYR  21           HE2      TYR  21 -11.328   4.793   4.187
  145    HH   TYR  21           HH       TYR  21 -10.745   6.707   5.557
  146    H    ASP  22           H        ASP  22  -7.651  -0.518   3.324
  147    HA   ASP  22           HA       ASP  22  -9.328  -0.292   5.615
  148    HB2  ASP  22           HB2      ASP  22  -9.797  -1.842   3.734
  149    HB3  ASP  22           HB3      ASP  22  -8.387  -2.793   4.189
  150    H    LYS  23           H        LYS  23  -6.178  -1.788   5.012
  151    HA   LYS  23           HA       LYS  23  -5.852  -3.029   7.507
  152    HB2  LYS  23           HB2      LYS  23  -3.755  -1.940   5.623
  153    HB3  LYS  23           HB3      LYS  23  -3.430  -3.025   6.968
  154    HG2  LYS  23           HG2      LYS  23  -5.274  -3.719   4.702
  155    HG3  LYS  23           HG3      LYS  23  -3.551  -4.095   4.708
  156    HD2  LYS  23           HD2      LYS  23  -5.434  -4.979   6.885
  157    HD3  LYS  23           HD3      LYS  23  -5.086  -5.954   5.454
  158    HE2  LYS  23           HE2      LYS  23  -2.614  -5.640   6.101
  159    HE3  LYS  23           HE3      LYS  23  -3.237  -5.128   7.671
  160    HZ1  LYS  23           HZ1      LYS  23  -2.677  -7.502   7.587
  161    HZ2  LYS  23           HZ2      LYS  23  -3.846  -7.731   6.378
  162    HZ3  LYS  23           HZ3      LYS  23  -4.319  -7.242   7.931
  163    H    VAL  24           H        VAL  24  -5.014   0.241   6.428
  164    HA   VAL  24           HA       VAL  24  -3.731   0.886   8.922
  165    HB   VAL  24           HB       VAL  24  -3.561   3.171   8.071
  166   HG11  VAL  24          2HG1      VAL  24  -1.869   1.563   7.413
  167   HG12  VAL  24          1HG1      VAL  24  -2.167   2.711   6.108
  168   HG13  VAL  24          3HG1      VAL  24  -2.839   1.083   6.020
  169   HG21  VAL  24          3HG2      VAL  24  -4.383   3.772   5.856
  170   HG22  VAL  24          2HG2      VAL  24  -5.713   3.309   6.917
  171   HG23  VAL  24          1HG2      VAL  24  -5.130   2.183   5.690
  172    H    GLY  25           H        GLY  25  -6.867   0.402   8.194
  173    HA2  GLY  25           HA1      GLY  25  -8.772   0.790   9.426
  174    HA3  GLY  25           HA2      GLY  25  -7.780   1.642  10.598
  175    H    GLY  26           H        GLY  26  -7.927   2.498   7.206
  176    HA2  GLY  26           HA1      GLY  26  -8.613   4.415   6.152
  177    HA3  GLY  26           HA2      GLY  26  -9.943   4.438   7.302
  178    H    GLU  27           H        GLU  27  -6.474   4.733   7.910
  179    HA   GLU  27           HA       GLU  27  -7.057   7.145   9.449
  180    HB2  GLU  27           HB2      GLU  27  -5.917   5.270  10.573
  181    HB3  GLU  27           HB3      GLU  27  -4.588   5.402   9.432
  182    HG2  GLU  27           HG2      GLU  27  -3.895   7.462  10.313
  183    HG3  GLU  27           HG3      GLU  27  -5.410   7.687  11.187
  184    H    ILE  28           H        ILE  28  -5.267   6.074   6.638
  185    HA   ILE  28           HA       ILE  28  -4.420   8.848   6.239
  186    HB   ILE  28           HB       ILE  28  -2.232   8.442   6.143
  187   HG12  ILE  28          2HG1      ILE  28  -2.784   7.180   3.907
  188   HG13  ILE  28          3HG1      ILE  28  -1.183   7.044   4.625
  189   HG21  ILE  28          2HG2      ILE  28  -2.956   5.715   7.192
  190   HG22  ILE  28          1HG2      ILE  28  -2.737   7.180   8.150
  191   HG23  ILE  28          3HG2      ILE  28  -1.366   6.469   7.298
  192   HD11  ILE  28          3HD1      ILE  28  -3.413   5.025   4.747
  193   HD12  ILE  28          2HD1      ILE  28  -1.887   4.883   5.620
  194   HD13  ILE  28          1HD1      ILE  28  -1.894   4.895   3.855
  195    H    GLY  29           H        GLY  29  -4.646   9.629   4.224
  196    HA2  GLY  29           HA1      GLY  29  -4.786   9.731   1.949
  197    HA3  GLY  29           HA2      GLY  29  -4.137   8.104   1.915
  198    H    SER  30           H        SER  30  -7.215   9.814   2.567
  199    HA   SER  30           HA       SER  30  -8.589   7.616   1.198
  200    HB2  SER  30           HB2      SER  30 -10.172   9.981   1.960
  201    HB3  SER  30           HB3      SER  30 -10.478   8.277   2.265
  202    HG   SER  30           HG       SER  30  -9.486   8.394   4.134
  203    H    THR  31           H        THR  31  -6.940  10.345   0.468
  204    HA   THR  31           HA       THR  31  -8.519  10.894  -1.957
  205    HB   THR  31           HB       THR  31  -7.489  13.198  -1.838
  206    HG1  THR  31           HG1      THR  31  -7.014  13.437   0.702
  207   HG21  THR  31          3HG2      THR  31  -9.028  14.020  -0.113
  208   HG22  THR  31          1HG2      THR  31  -9.243  12.374   0.480
  209   HG23  THR  31          2HG2      THR  31  -9.803  12.810  -1.136
  210    H    TRP  32           H        TRP  32  -5.969   9.168  -1.206
  211    HA   TRP  32           HA       TRP  32  -3.852  10.446  -2.607
  212    HB2  TRP  32           HB2      TRP  32  -2.605   8.368  -2.348
  213    HB3  TRP  32           HB3      TRP  32  -3.355   8.857  -0.834
  214    HD1  TRP  32           HD1      TRP  32  -5.194   6.978  -3.606
  215    HE1  TRP  32           HE1      TRP  32  -5.910   4.711  -2.718
  216    HE3  TRP  32           HE3      TRP  32  -2.831   7.122   0.907
  217    HZ2  TRP  32           HZ2      TRP  32  -5.541   3.134  -0.385
  218    HZ3  TRP  32           HZ3      TRP  32  -3.057   5.180   2.416
  219    HH2  TRP  32           HH2      TRP  32  -4.382   3.229   1.777
  220    H    GLY  33           H        GLY  33  -6.580   8.799  -3.670
  221    HA2  GLY  33           HA1      GLY  33  -7.238   8.508  -5.893
  222    HA3  GLY  33           HA2      GLY  33  -5.580   8.827  -6.379
  223    H    ASN  34           H        ASN  34  -4.533   7.214  -7.202
  224    HA   ASN  34           HA       ASN  34  -5.099   4.517  -6.219
  225    HB2  ASN  34           HB2      ASN  34  -4.657   3.753  -8.610
  226    HB3  ASN  34           HB3      ASN  34  -6.200   4.539  -8.308
  227   HD21  ASN  34          1HD2      ASN  34  -3.120   4.807  -9.865
  228   HD22  ASN  34          2HD2      ASN  34  -3.476   6.215 -10.807
  229    H    ALA  35           H        ALA  35  -3.261   3.041  -7.316
  230    HA   ALA  35           HA       ALA  35  -1.100   3.459  -5.676
  231    HB1  ALA  35           HB1      ALA  35  -1.751   1.309  -6.633
  232    HB2  ALA  35           HB2      ALA  35  -1.145   1.832  -8.204
  233    HB3  ALA  35           HB3      ALA  35  -0.031   1.636  -6.852
  234    H    ASN  36           H        ASN  36  -1.504   4.645  -8.932
  235    HA   ASN  36           HA       ASN  36   1.291   5.140  -9.395
  236    HB2  ASN  36           HB2      ASN  36  -0.333   4.637 -11.208
  237    HB3  ASN  36           HB3      ASN  36  -1.124   6.180 -10.895
  238   HD21  ASN  36          1HD2      ASN  36   1.637   4.590 -12.238
  239   HD22  ASN  36          2HD2      ASN  36   2.297   5.970 -13.041
  240    H    ASN  37           H        ASN  37  -1.390   6.870  -8.102
  241    HA   ASN  37           HA       ASN  37  -0.069   9.462  -8.460
  242    HB2  ASN  37           HB2      ASN  37  -2.425   9.027  -9.297
  243    HB3  ASN  37           HB3      ASN  37  -2.919   8.895  -7.618
  244   HD21  ASN  37          1HD2      ASN  37  -3.211  10.708  -6.428
  245   HD22  ASN  37          2HD2      ASN  37  -3.101  12.311  -7.076
  246    H    TRP  38           H        TRP  38   0.187   7.192  -6.336
  247    HA   TRP  38           HA       TRP  38  -0.872   8.000  -3.906
  248    HB2  TRP  38           HB2      TRP  38   1.020   6.030  -4.812
  249    HB3  TRP  38           HB3      TRP  38   1.546   6.757  -3.285
  250    HD1  TRP  38           HD1      TRP  38  -2.011   5.767  -4.470
  251    HE1  TRP  38           HE1      TRP  38  -3.032   4.301  -2.652
  252    HE3  TRP  38           HE3      TRP  38   1.997   5.518  -1.320
  253    HZ2  TRP  38           HZ2      TRP  38  -2.223   3.192  -0.117
  254    HZ3  TRP  38           HZ3      TRP  38   1.793   4.241   0.761
  255    HH2  TRP  38           HH2      TRP  38  -0.263   3.096   1.330
  256    H    ALA  39           H        ALA  39   2.600   8.240  -4.687
  257    HA   ALA  39           HA       ALA  39   3.296   9.683  -2.446
  258    HB1  ALA  39           HB1      ALA  39   5.333  10.351  -3.683
  259    HB2  ALA  39           HB2      ALA  39   4.972   8.629  -3.831
  260    HB3  ALA  39           HB3      ALA  39   4.607   9.731  -5.164
  261    H    ALA  40           H        ALA  40   2.189  10.904  -5.575
  262    HA   ALA  40           HA       ALA  40   2.637  13.640  -5.055
  263    HB1  ALA  40           HB1      ALA  40   2.281  12.720  -7.304
  264    HB2  ALA  40           HB2      ALA  40   0.597  12.397  -6.893
  265    HB3  ALA  40           HB3      ALA  40   1.187  14.057  -6.953
  266    H    ALA  41           H        ALA  41  -0.375  11.719  -4.868
  267    HA   ALA  41           HA       ALA  41  -1.954  13.832  -3.839
  268    HB1  ALA  41           HB1      ALA  41  -2.914  11.887  -4.970
  269    HB2  ALA  41           HB2      ALA  41  -2.411  10.852  -3.632
  270    HB3  ALA  41           HB3      ALA  41  -3.616  12.115  -3.370
  271    H    ALA  42           H        ALA  42  -0.126  11.241  -2.325
  272    HA   ALA  42           HA       ALA  42  -0.966  11.601   0.328
  273    HB1  ALA  42           HB1      ALA  42   1.104  10.436   0.919
  274    HB2  ALA  42           HB2      ALA  42   0.270   9.649  -0.418
  275    HB3  ALA  42           HB3      ALA  42   1.693  10.645  -0.731
  276    H    GLN  43           H        GLN  43   1.723  13.076  -1.490
  277    HA   GLN  43           HA       GLN  43   2.673  14.663   0.654
  278    HB2  GLN  43           HB2      GLN  43   2.967  14.903  -2.332
  279    HB3  GLN  43           HB3      GLN  43   3.725  16.029  -1.214
  280    HG2  GLN  43           HG2      GLN  43   4.977  14.222  -0.200
  281    HG3  GLN  43           HG3      GLN  43   4.173  13.052  -1.252
  282   HE21  GLN  43          1HE2      GLN  43   7.014  13.734  -0.940
  283   HE22  GLN  43          2HE2      GLN  43   7.565  14.168  -2.520
  284    H    GLY  44           H        GLY  44   0.282  15.202  -1.884
  285    HA2  GLY  44           HA1      GLY  44  -0.248  17.914  -1.332
  286    HA3  GLY  44           HA2      GLY  44  -1.376  16.783  -2.070
  287    H    ALA  45           H        ALA  45  -1.543  14.947   0.078
  288    HA   ALA  45           HA       ALA  45  -3.399  16.278   1.799
  289    HB1  ALA  45           HB1      ALA  45  -3.712  13.943   1.135
  290    HB2  ALA  45           HB2      ALA  45  -2.236  13.498   1.990
  291    HB3  ALA  45           HB3      ALA  45  -3.628  14.097   2.890
  292    H    GLY  46           H        GLY  46  -0.060  15.240   2.044
  293    HA2  GLY  46           HA1      GLY  46   1.346  16.708   3.432
  294    HA3  GLY  46           HA2      GLY  46   0.079  16.635   4.646
  295    H    PHE  47           H        PHE  47   1.538  14.014   2.731
  296    HA   PHE  47           HA       PHE  47   2.353  12.754   5.258
  297    HB2  PHE  47           HB2      PHE  47   2.230  11.488   2.505
  298    HB3  PHE  47           HB3      PHE  47   2.575  10.670   4.015
  299    HD1  PHE  47           HD2      PHE  47   0.082  12.803   4.977
  300    HD2  PHE  47           HD1      PHE  47   0.681   9.404   2.488
  301    HE1  PHE  47           HE2      PHE  47  -2.303  12.227   5.183
  302    HE2  PHE  47           HE1      PHE  47  -1.698   8.814   2.674
  303    HZ   PHE  47           HZ       PHE  47  -3.196  10.242   4.027
  304    H    THR  48           H        THR  48   4.481  12.395   5.700
  305    HA   THR  48           HA       THR  48   6.482  13.531   3.954
  306    HB   THR  48           HB       THR  48   6.989  11.841   6.406
  307    HG1  THR  48           HG1      THR  48   6.140  14.542   6.171
  308   HG21  THR  48          3HG2      THR  48   8.559  14.070   5.105
  309   HG22  THR  48          1HG2      THR  48   8.932  12.350   5.013
  310   HG23  THR  48          2HG2      THR  48   9.028  13.192   6.561
  311    H    VAL  49           H        VAL  49   7.020  12.371   2.156
  312    HA   VAL  49           HA       VAL  49   6.991   9.461   2.411
  313    HB   VAL  49           HB       VAL  49   6.521   9.241   0.226
  314   HG11  VAL  49          2HG1      VAL  49   5.136  11.050  -0.659
  315   HG12  VAL  49          1HG1      VAL  49   5.753  12.124   0.597
  316   HG13  VAL  49          3HG1      VAL  49   4.796  10.709   1.039
  317   HG21  VAL  49          3HG2      VAL  49   8.592   9.958  -0.691
  318   HG22  VAL  49          2HG2      VAL  49   8.220  11.653  -0.365
  319   HG23  VAL  49          1HG2      VAL  49   7.305  10.769  -1.585
  320    H    ASN  50           H        ASN  50   8.714   8.269   2.441
  321    HA   ASN  50           HA       ASN  50  11.244   9.315   1.363
  322    HB2  ASN  50           HB2      ASN  50  11.061   7.132   3.454
  323    HB3  ASN  50           HB3      ASN  50  12.483   8.035   2.959
  324   HD21  ASN  50          1HD2      ASN  50  11.088   7.507   5.565
  325   HD22  ASN  50          2HD2      ASN  50  10.896   9.068   6.285
  326    H    HIS  51           H        HIS  51  12.172   6.439   1.798
  327    HA   HIS  51           HA       HIS  51  10.214   4.824   0.527
  328    HB2  HIS  51           HB2      HIS  51  11.977   4.172  -1.356
  329    HB3  HIS  51           HB3      HIS  51  10.801   5.454  -1.589
  330    HD1  HIS  51           HD1      HIS  51  11.726   7.557  -2.451
  331    HD2  HIS  51           HD2      HIS  51  14.605   5.304  -0.467
  332    HE1  HIS  51           HE1      HIS  51  13.893   8.802  -2.755
  333    HE2  HIS  51           HE2      HIS  51  15.640   7.319  -1.711
  334    H    THR  52           H        THR  52  10.464   3.654   2.367
  335    HA   THR  52           HA       THR  52  12.391   1.540   2.240
  336    HB   THR  52           HB       THR  52  12.465   3.420   4.628
  337    HG1  THR  52           HG1      THR  52  13.845   3.453   2.358
  338   HG21  THR  52          3HG2      THR  52  14.169   1.934   5.530
  339   HG22  THR  52          1HG2      THR  52  14.012   0.869   4.133
  340   HG23  THR  52          2HG2      THR  52  12.670   1.043   5.265
  341    HA   PRO  53           HA       PRO  53   8.351   0.028   3.795
  342    HB2  PRO  53           HB2      PRO  53   9.203  -2.610   3.747
  343    HB3  PRO  53           HB3      PRO  53   8.423  -1.772   2.401
  344    HG2  PRO  53           HG2      PRO  53  11.333  -2.246   2.909
  345    HG3  PRO  53           HG3      PRO  53  10.429  -2.359   1.386
  346    HD2  PRO  53           HD2      PRO  53  11.945  -0.234   1.903
  347    HD3  PRO  53           HD3      PRO  53  10.359  -0.050   1.113
  348    H    SER  54           H        SER  54   7.710  -0.608   5.827
  349    HA   SER  54           HA       SER  54   9.618  -1.601   7.757
  350    HB2  SER  54           HB2      SER  54   8.342   1.124   8.135
  351    HB3  SER  54           HB3      SER  54   9.333   0.278   9.321
  352    HG   SER  54           HG       SER  54  10.682   0.392   7.025
  353    H    LYS  55           H        LYS  55   8.572  -2.202   9.782
  354    HA   LYS  55           HA       LYS  55   6.083  -3.452   9.328
  355    HB2  LYS  55           HB2      LYS  55   7.712  -4.364  10.898
  356    HB3  LYS  55           HB3      LYS  55   7.593  -2.930  11.903
  357    HG2  LYS  55           HG2      LYS  55   5.216  -3.492  12.328
  358    HG3  LYS  55           HG3      LYS  55   5.457  -4.992  11.436
  359    HD2  LYS  55           HD2      LYS  55   7.118  -4.225  13.827
  360    HD3  LYS  55           HD3      LYS  55   5.621  -5.143  13.960
  361    HE2  LYS  55           HE2      LYS  55   7.153  -6.846  13.896
  362    HE3  LYS  55           HE3      LYS  55   6.773  -6.690  12.184
  363    HZ1  LYS  55           HZ1      LYS  55   9.164  -5.631  13.594
  364    HZ2  LYS  55           HZ2      LYS  55   8.785  -5.256  11.987
  365    HZ3  LYS  55           HZ3      LYS  55   9.122  -6.858  12.425
  366    H    GLY  56           H        GLY  56   4.337  -2.190   8.941
  367    HA2  GLY  56           HA1      GLY  56   2.468  -1.146  10.114
  368    HA3  GLY  56           HA2      GLY  56   3.649  -0.213  11.025
  369    H    ALA  57           H        ALA  57   4.833  -0.326   7.971
  370    HA   ALA  57           HA       ALA  57   3.525   2.217   7.274
  371    HB1  ALA  57           HB1      ALA  57   5.958   2.349   7.617
  372    HB2  ALA  57           HB2      ALA  57   6.190   1.177   6.321
  373    HB3  ALA  57           HB3      ALA  57   5.489   2.759   5.964
  374    H    ILE  58           H        ILE  58   4.432   2.245   4.577
  375    HA   ILE  58           HA       ILE  58   2.794   0.097   3.422
  376    HB   ILE  58           HB       ILE  58   2.609   2.885   2.332
  377   HG12  ILE  58          2HG1      ILE  58   0.637   1.883   4.360
  378   HG13  ILE  58          3HG1      ILE  58   2.093   2.712   4.898
  379   HG21  ILE  58          2HG2      ILE  58   1.674   1.134   0.992
  380   HG22  ILE  58          1HG2      ILE  58   0.345   2.040   1.713
  381   HG23  ILE  58          3HG2      ILE  58   0.805   0.471   2.376
  382   HD11  ILE  58          3HD1      ILE  58   0.283   4.266   4.797
  383   HD12  ILE  58          2HD1      ILE  58  -0.077   3.812   3.133
  384   HD13  ILE  58          1HD1      ILE  58   1.427   4.649   3.511
  385    H    LEU  59           H        LEU  59   2.999   0.281   0.897
  386    HA   LEU  59           HA       LEU  59   5.795   0.829   0.156
  387    HB2  LEU  59           HB2      LEU  59   5.108  -1.626   0.661
  388    HB3  LEU  59           HB3      LEU  59   4.223  -1.537  -0.843
  389    HG   LEU  59           HG       LEU  59   6.506  -0.801  -1.829
  390   HD11  LEU  59          2HD1      LEU  59   7.344  -2.203   0.699
  391   HD12  LEU  59          1HD1      LEU  59   7.686  -0.532   0.249
  392   HD13  LEU  59          3HD1      LEU  59   8.403  -1.856  -0.669
  393   HD21  LEU  59          3HD2      LEU  59   5.922  -3.633  -0.985
  394   HD22  LEU  59          2HD2      LEU  59   7.058  -3.152  -2.248
  395   HD23  LEU  59          1HD2      LEU  59   5.336  -2.827  -2.442
  396    H    GLN  60           H        GLN  60   6.047   1.618  -1.995
  397    HA   GLN  60           HA       GLN  60   3.715   1.690  -3.724
  398    HB2  GLN  60           HB2      GLN  60   3.494   3.607  -2.107
  399    HB3  GLN  60           HB3      GLN  60   4.962   4.278  -2.791
  400    HG2  GLN  60           HG2      GLN  60   2.617   3.668  -4.538
  401    HG3  GLN  60           HG3      GLN  60   2.659   5.138  -3.574
  402   HE21  GLN  60          1HE2      GLN  60   2.604   4.841  -6.446
  403   HE22  GLN  60          2HE2      GLN  60   4.021   5.632  -7.049
  404    H    SER  61           H        SER  61   4.170   1.779  -5.785
  405    HA   SER  61           HA       SER  61   6.633   3.007  -6.738
  406    HB2  SER  61           HB2      SER  61   7.129   0.567  -6.523
  407    HB3  SER  61           HB3      SER  61   5.766   0.223  -7.585
  408    HG   SER  61           HG       SER  61   8.136   1.664  -8.224
  409    H    SER  62           H        SER  62   6.333   3.978  -8.765
  410    HA   SER  62           HA       SER  62   3.553   4.299  -9.494
  411    HB2  SER  62           HB2      SER  62   6.044   5.651 -10.548
  412    HB3  SER  62           HB3      SER  62   4.388   6.106 -10.954
  413    HG   SER  62           HG       SER  62   4.498   7.306  -9.243
  414    H    GLU  63           H        GLU  63   6.119   2.340 -10.516
  415    HA   GLU  63           HA       GLU  63   5.395   2.194 -13.288
  416    HB2  GLU  63           HB2      GLU  63   7.083   0.327 -11.613
  417    HB3  GLU  63           HB3      GLU  63   6.936   0.265 -13.364
  418    HG2  GLU  63           HG2      GLU  63   7.837   2.611 -13.411
  419    HG3  GLU  63           HG3      GLU  63   8.190   2.420 -11.693
  420    H    GLY  64           H        GLY  64   4.723   0.088 -14.283
  421    HA2  GLY  64           HA1      GLY  64   3.621  -2.057 -13.971
  422    HA3  GLY  64           HA2      GLY  64   2.854  -1.388 -12.537
  423    HA   PRO  65           HA       PRO  65  -0.304  -0.686 -15.753
  424    HB2  PRO  65           HB2      PRO  65  -2.356  -1.312 -13.918
  425    HB3  PRO  65           HB3      PRO  65  -1.729  -2.361 -15.188
  426    HG2  PRO  65           HG2      PRO  65  -1.475  -2.721 -12.400
  427    HG3  PRO  65           HG3      PRO  65  -0.677  -3.657 -13.672
  428    HD2  PRO  65           HD2      PRO  65   0.394  -1.490 -11.967
  429    HD3  PRO  65           HD3      PRO  65   1.248  -2.810 -12.793
  430    H    PHE  66           H        PHE  66  -1.678  -0.175 -12.555
  431    HA   PHE  66           HA       PHE  66  -1.686   2.707 -12.907
  432    HB2  PHE  66           HB2      PHE  66  -2.451   1.057 -10.473
  433    HB3  PHE  66           HB3      PHE  66  -2.766   2.771 -10.703
  434    HD1  PHE  66           HD2      PHE  66  -3.704  -0.626 -11.731
  435    HD2  PHE  66           HD1      PHE  66  -4.610   3.526 -12.011
  436    HE1  PHE  66           HE2      PHE  66  -5.903  -1.171 -12.696
  437    HE2  PHE  66           HE1      PHE  66  -6.809   2.985 -12.968
  438    HZ   PHE  66           HZ       PHE  66  -7.458   0.634 -13.312
  439    H    GLY  67           H        GLY  67  -0.565   0.500 -10.378
  440    HA2  GLY  67           HA1      GLY  67   2.101   1.383 -10.378
  441    HA3  GLY  67           HA2      GLY  67   1.199   2.249  -9.136
  442    H    HIS  68           H        HIS  68   2.495   1.198  -7.542
  443    HA   HIS  68           HA       HIS  68   1.498  -1.499  -6.915
  444    HB2  HIS  68           HB2      HIS  68   4.384  -0.594  -6.846
  445    HB3  HIS  68           HB3      HIS  68   3.802  -2.041  -6.031
  446    HD1  HIS  68           HD1      HIS  68   4.289  -0.652  -9.522
  447    HD2  HIS  68           HD2      HIS  68   3.558  -4.270  -7.605
  448    HE1  HIS  68           HE1      HIS  68   4.602  -2.420 -11.273
  449    HE2  HIS  68           HE2      HIS  68   3.951  -4.573 -10.147
  450    H    VAL  69           H        VAL  69   0.132  -0.523  -5.259
  451    HA   VAL  69           HA       VAL  69   1.766   0.380  -3.001
  452    HB   VAL  69           HB       VAL  69  -0.214   1.471  -2.091
  453   HG11  VAL  69          2HG1      VAL  69  -0.379   3.260  -3.763
  454   HG12  VAL  69          1HG1      VAL  69   0.393   2.206  -4.948
  455   HG13  VAL  69          3HG1      VAL  69   1.283   2.726  -3.516
  456   HG21  VAL  69          3HG2      VAL  69  -1.591   0.619  -4.640
  457   HG22  VAL  69          2HG2      VAL  69  -2.254   1.713  -3.423
  458   HG23  VAL  69          1HG2      VAL  69  -1.950   0.022  -3.020
  459    H    ALA  70           H        ALA  70   2.004  -0.933  -1.426
  460    HA   ALA  70           HA       ALA  70  -0.035  -2.961  -0.851
  461    HB1  ALA  70           HB1      ALA  70   1.712  -4.649  -0.543
  462    HB2  ALA  70           HB2      ALA  70   1.708  -4.038  -2.198
  463    HB3  ALA  70           HB3      ALA  70   2.933  -3.485  -1.056
  464    H    TYR  71           H        TYR  71  -0.382  -3.238   1.288
  465    HA   TYR  71           HA       TYR  71   0.876  -1.380   3.075
  466    HB2  TYR  71           HB2      TYR  71  -1.407  -1.680   3.492
  467    HB3  TYR  71           HB3      TYR  71  -1.302  -3.434   3.338
  468    HD1  TYR  71           HD1      TYR  71  -0.691  -0.571   5.577
  469    HD2  TYR  71           HD2      TYR  71  -0.648  -4.809   5.174
  470    HE1  TYR  71           HE1      TYR  71  -0.498  -0.793   8.021
  471    HE2  TYR  71           HE2      TYR  71  -0.460  -5.038   7.617
  472    HH   TYR  71           HH       TYR  71  -1.121  -2.635   9.759
  473    H    VAL  72           H        VAL  72   2.491  -1.747   4.469
  474    HA   VAL  72           HA       VAL  72   3.875  -4.309   4.238
  475    HB   VAL  72           HB       VAL  72   4.816  -1.762   5.566
  476   HG11  VAL  72          2HG1      VAL  72   6.297  -4.238   4.687
  477   HG12  VAL  72          1HG1      VAL  72   6.018  -3.700   6.348
  478   HG13  VAL  72          3HG1      VAL  72   7.056  -2.759   5.274
  479   HG21  VAL  72          3HG2      VAL  72   4.364  -1.330   3.222
  480   HG22  VAL  72          2HG2      VAL  72   5.311  -2.748   2.759
  481   HG23  VAL  72          1HG2      VAL  72   6.105  -1.366   3.513
  482    H    GLU  73           H        GLU  73   3.422  -5.802   5.713
  483    HA   GLU  73           HA       GLU  73   2.269  -5.003   8.242
  484    HB2  GLU  73           HB2      GLU  73   2.792  -7.765   7.123
  485    HB3  GLU  73           HB3      GLU  73   1.914  -7.415   8.608
  486    HG2  GLU  73           HG2      GLU  73   0.357  -6.016   7.155
  487    HG3  GLU  73           HG3      GLU  73   1.113  -6.817   5.782
  488    H    SER  74           H        SER  74   5.328  -6.068   7.001
  489    HA   SER  74           HA       SER  74   6.675  -5.427   9.395
  490    HB2  SER  74           HB2      SER  74   5.629  -7.558  10.152
  491    HB3  SER  74           HB3      SER  74   6.460  -8.399   8.844
  492    HG   SER  74           HG       SER  74   7.691  -8.610  10.688
  493    H    VAL  75           H        VAL  75   8.850  -5.228   9.034
  494    HA   VAL  75           HA       VAL  75   9.913  -6.417   6.568
  495    HB   VAL  75           HB       VAL  75  10.198  -4.025   6.491
  496   HG11  VAL  75          2HG1      VAL  75  10.003  -3.523   8.863
  497   HG12  VAL  75          1HG1      VAL  75  11.445  -2.774   8.174
  498   HG13  VAL  75          3HG1      VAL  75  11.592  -4.233   9.156
  499   HG21  VAL  75          3HG2      VAL  75  12.802  -5.394   7.171
  500   HG22  VAL  75          2HG2      VAL  75  12.656  -3.847   6.335
  501   HG23  VAL  75          1HG2      VAL  75  12.035  -5.319   5.585
  502    H    ASN  76           H        ASN  76  11.359  -8.015   6.781
  503    HA   ASN  76           HA       ASN  76  11.788  -8.959   9.472
  504    HB2  ASN  76           HB2      ASN  76  12.554 -10.209   6.827
  505    HB3  ASN  76           HB3      ASN  76  12.664 -10.997   8.398
  506   HD21  ASN  76          1HD2      ASN  76  10.601  -9.984   5.843
  507   HD22  ASN  76          2HD2      ASN  76   9.151 -10.752   6.410
  508    H    SER  77           H        SER  77  13.855  -9.539  10.333
  509    HA   SER  77           HA       SER  77  15.893  -7.634   9.856
  510    HB2  SER  77           HB2      SER  77  17.214  -9.292  11.371
  511    HB3  SER  77           HB3      SER  77  15.823  -8.446  12.046
  512    HG   SER  77           HG       SER  77  15.984 -11.129  11.141
  513    H    ASP  78           H        ASP  78  15.096 -10.602   8.413
  514    HA   ASP  78           HA       ASP  78  17.564 -11.405   7.325
  515    HB2  ASP  78           HB2      ASP  78  15.702 -12.894   7.218
  516    HB3  ASP  78           HB3      ASP  78  14.704 -11.702   6.399
  517    H    GLY  79           H        GLY  79  15.456  -8.768   6.585
  518    HA2  GLY  79           HA1      GLY  79  16.216  -6.947   5.200
  519    HA3  GLY  79           HA2      GLY  79  17.079  -8.118   4.212
  520    H    SER  80           H        SER  80  14.735  -9.958   4.399
  521    HA   SER  80           HA       SER  80  13.264  -8.986   2.151
  522    HB2  SER  80           HB2      SER  80  12.690 -11.365   3.937
  523    HB3  SER  80           HB3      SER  80  11.962 -11.043   2.363
  524    HG   SER  80           HG       SER  80  14.648 -11.720   2.971
  525    H    VAL  81           H        VAL  81  11.206  -8.194   2.077
  526    HA   VAL  81           HA       VAL  81  10.132  -7.288   4.665
  527    HB   VAL  81           HB       VAL  81   9.636  -6.081   1.941
  528   HG11  VAL  81          2HG1      VAL  81   7.853  -5.641   3.518
  529   HG12  VAL  81          1HG1      VAL  81   8.781  -4.172   3.216
  530   HG13  VAL  81          3HG1      VAL  81   9.022  -5.073   4.712
  531   HG21  VAL  81          3HG2      VAL  81  11.519  -5.180   4.117
  532   HG22  VAL  81          2HG2      VAL  81  11.164  -4.300   2.630
  533   HG23  VAL  81          1HG2      VAL  81  11.982  -5.862   2.558
  534    H    THR  82           H        THR  82   8.144  -7.851   5.274
  535    HA   THR  82           HA       THR  82   6.631  -9.623   3.511
  536    HB   THR  82           HB       THR  82   6.447  -9.111   6.492
  537    HG1  THR  82           HG1      THR  82   6.997 -11.644   5.775
  538   HG21  THR  82          3HG2      THR  82   4.906 -11.036   6.536
  539   HG22  THR  82          1HG2      THR  82   4.927 -11.083   4.774
  540   HG23  THR  82          2HG2      THR  82   4.245  -9.689   5.611
  541    H    ILE  83           H        ILE  83   5.113  -8.671   2.323
  542    HA   ILE  83           HA       ILE  83   3.561  -6.464   3.508
  543    HB   ILE  83           HB       ILE  83   3.299  -5.531   1.235
  544   HG12  ILE  83          2HG1      ILE  83   5.443  -7.517   0.450
  545   HG13  ILE  83          3HG1      ILE  83   3.741  -7.668   0.027
  546   HG21  ILE  83          2HG2      ILE  83   5.535  -4.562   1.062
  547   HG22  ILE  83          1HG2      ILE  83   6.159  -5.807   2.145
  548   HG23  ILE  83          3HG2      ILE  83   4.986  -4.628   2.736
  549   HD11  ILE  83          3HD1      ILE  83   5.605  -5.471  -0.836
  550   HD12  ILE  83          2HD1      ILE  83   3.889  -5.570  -1.230
  551   HD13  ILE  83          1HD1      ILE  83   5.003  -6.795  -1.834
  552    H    SER  84           H        SER  84   1.405  -6.209   2.621
  553    HA   SER  84           HA       SER  84   0.330  -8.590   1.304
  554    HB2  SER  84           HB2      SER  84  -0.782  -7.288   3.795
  555    HB3  SER  84           HB3      SER  84  -1.686  -8.436   2.807
  556    HG   SER  84           HG       SER  84   0.000  -8.993   4.743
  557    H    GLU  85           H        GLU  85  -0.485  -7.978  -0.503
  558    HA   GLU  85           HA       GLU  85  -2.043  -5.490  -0.681
  559    HB2  GLU  85           HB2      GLU  85  -1.302  -5.446  -3.114
  560    HB3  GLU  85           HB3      GLU  85  -0.058  -5.075  -1.929
  561    HG2  GLU  85           HG2      GLU  85   0.838  -7.323  -2.127
  562    HG3  GLU  85           HG3      GLU  85  -0.446  -7.749  -3.254
  563    H    MET  86           H        MET  86  -4.145  -5.948  -1.056
  564    HA   MET  86           HA       MET  86  -4.882  -8.595  -1.945
  565    HB2  MET  86           HB2      MET  86  -6.127  -7.518  -0.122
  566    HB3  MET  86           HB3      MET  86  -6.619  -6.236  -1.219
  567    HG2  MET  86           HG2      MET  86  -7.902  -7.760  -2.538
  568    HG3  MET  86           HG3      MET  86  -7.292  -9.133  -1.618
  569    HE1  MET  86           HE1      MET  86  -7.415  -8.330   1.358
  570    HE2  MET  86           HE2      MET  86  -9.051  -8.815   1.798
  571    HE3  MET  86           HE3      MET  86  -8.087  -9.834   0.731
  572    H    ASN  87           H        ASN  87  -5.241  -9.157  -3.945
  573    HA   ASN  87           HA       ASN  87  -5.900  -9.182  -6.097
  574    HB2  ASN  87           HB2      ASN  87  -7.952  -8.094  -5.568
  575    HB3  ASN  87           HB3      ASN  87  -7.160  -6.532  -5.399
  576   HD21  ASN  87          1HD2      ASN  87  -6.807  -5.303  -7.191
  577   HD22  ASN  87          2HD2      ASN  87  -7.353  -5.726  -8.778
  578    H    TYR  88           H        TYR  88  -4.840  -5.869  -5.326
  579    HA   TYR  88           HA       TYR  88  -3.283  -4.511  -6.252
  580    HB2  TYR  88           HB2      TYR  88  -1.574  -6.057  -5.890
  581    HB3  TYR  88           HB3      TYR  88  -2.225  -7.206  -7.049
  582    HD1  TYR  88           HD2      TYR  88  -0.923  -3.683  -7.080
  583    HD2  TYR  88           HD1      TYR  88  -1.016  -7.500  -8.956
  584    HE1  TYR  88           HE2      TYR  88   0.653  -2.879  -8.789
  585    HE2  TYR  88           HE1      TYR  88   0.550  -6.706 -10.669
  586    HH   TYR  88           HH       TYR  88   1.390  -4.761 -11.631
  587    H    SER  89           H        SER  89  -3.649  -6.952  -8.800
  588    HA   SER  89           HA       SER  89  -5.448  -5.485 -10.372
  589    HB2  SER  89           HB2      SER  89  -3.421  -4.039 -10.718
  590    HB3  SER  89           HB3      SER  89  -2.594  -5.433 -11.413
  591    HG   SER  89           HG       SER  89  -5.091  -4.600 -12.429
  592    H    GLY  90           H        GLY  90  -6.414  -7.518 -10.422
  593    HA2  GLY  90           HA1      GLY  90  -6.074  -9.175 -12.532
  594    HA3  GLY  90           HA2      GLY  90  -4.920  -9.810 -11.371
  595    H    GLY  91           H        GLY  91  -5.666 -10.815  -9.474
  596    HA2  GLY  91           HA1      GLY  91  -8.304 -11.999  -9.861
  597    HA3  GLY  91           HA2      GLY  91  -7.065 -12.550  -8.744
  598    HA   PRO  92           HA       PRO  92 -10.119  -8.991  -7.099
  599    HB2  PRO  92           HB2      PRO  92 -12.331 -10.984  -7.141
  600    HB3  PRO  92           HB3      PRO  92 -12.371  -9.244  -7.455
  601    HG2  PRO  92           HG2      PRO  92 -12.545 -10.964  -9.468
  602    HG3  PRO  92           HG3      PRO  92 -11.583  -9.481  -9.629
  603    HD2  PRO  92           HD2      PRO  92 -10.668 -12.291  -9.141
  604    HD3  PRO  92           HD3      PRO  92  -9.962 -11.042 -10.188
  605    H    PHE  93           H        PHE  93  -9.514  -8.902  -5.086
  606    HA   PHE  93           HA       PHE  93  -9.316  -9.262  -2.878
  607    HB2  PHE  93           HB2      PHE  93 -11.304 -11.470  -3.360
  608    HB3  PHE  93           HB3      PHE  93 -10.650 -11.055  -1.776
  609    HD1  PHE  93           HD2      PHE  93 -12.640  -9.749  -4.613
  610    HD2  PHE  93           HD1      PHE  93 -11.527  -9.270  -0.534
  611    HE1  PHE  93           HE2      PHE  93 -14.390  -8.045  -4.339
  612    HE2  PHE  93           HE1      PHE  93 -13.276  -7.565  -0.253
  613    HZ   PHE  93           HZ       PHE  93 -14.710  -6.950  -2.158
  614    H    SER  94           H        SER  94  -8.066 -11.245  -5.138
  615    HA   SER  94           HA       SER  94  -6.941 -13.234  -3.431
  616    HB2  SER  94           HB2      SER  94  -6.059 -12.206  -6.135
  617    HB3  SER  94           HB3      SER  94  -5.297 -13.564  -5.294
  618    HG   SER  94           HG       SER  94  -7.009 -14.109  -6.859
  619    H    VAL  95           H        VAL  95  -6.170 -12.198  -1.646
  620    HA   VAL  95           HA       VAL  95  -4.507  -9.965  -1.694
  621    HB   VAL  95           HB       VAL  95  -5.563 -10.518   0.369
  622   HG11  VAL  95          2HG1      VAL  95  -5.731 -12.935   0.074
  623   HG12  VAL  95          1HG1      VAL  95  -5.082 -12.521   1.660
  624   HG13  VAL  95          3HG1      VAL  95  -4.002 -13.097   0.389
  625   HG21  VAL  95          3HG2      VAL  95  -3.425  -9.400   0.598
  626   HG22  VAL  95          2HG2      VAL  95  -2.590 -10.954   0.632
  627   HG23  VAL  95          1HG2      VAL  95  -3.681 -10.508   1.946
  628    H    SER  96           H        SER  96  -2.695  -9.918  -2.860
  629    HA   SER  96           HA       SER  96  -1.235 -12.240  -3.578
  630    HB2  SER  96           HB2      SER  96  -0.426  -9.335  -3.852
  631    HB3  SER  96           HB3      SER  96   0.228 -10.698  -4.756
  632    HG   SER  96           HG       SER  96  -2.062 -11.007  -5.460
  633    H    SER  97           H        SER  97  -0.005 -13.304  -2.193
  634    HA   SER  97           HA       SER  97   1.361 -12.022  -0.021
  635    HB2  SER  97           HB2      SER  97   1.772 -14.805  -1.139
  636    HB3  SER  97           HB3      SER  97   2.305 -14.216   0.437
  637    HG   SER  97           HG       SER  97   0.257 -14.215   1.157
  638    H    ARG  98           H        ARG  98   3.156 -10.863  -0.247
  639    HA   ARG  98           HA       ARG  98   5.084 -11.658  -2.312
  640    HB2  ARG  98           HB2      ARG  98   4.062  -8.871  -1.777
  641    HB3  ARG  98           HB3      ARG  98   5.536  -9.195  -2.676
  642    HG2  ARG  98           HG2      ARG  98   4.185 -10.525  -4.286
  643    HG3  ARG  98           HG3      ARG  98   2.737 -10.004  -3.420
  644    HD2  ARG  98           HD2      ARG  98   3.155  -8.607  -5.383
  645    HD3  ARG  98           HD3      ARG  98   3.278  -7.675  -3.892
  646    HE   ARG  98           HE       ARG  98   5.741  -8.736  -5.067
  647   HH11  ARG  98          2HH1      ARG  98   3.649  -5.983  -4.436
  648   HH12  ARG  98          1HH1      ARG  98   4.907  -4.820  -4.736
  649   HH21  ARG  98          2HH2      ARG  98   7.390  -7.205  -5.459
  650   HH22  ARG  98          1HH2      ARG  98   7.035  -5.507  -5.336
  651    H    THR  99           H        THR  99   7.238 -10.723  -1.982
  652    HA   THR  99           HA       THR  99   7.882  -9.774   0.679
  653    HB   THR  99           HB       THR  99   9.154 -12.327  -0.343
  654    HG1  THR  99           HG1      THR  99   6.869 -11.911   1.112
  655   HG21  THR  99          3HG2      THR  99  10.626 -10.952   1.044
  656   HG22  THR  99          1HG2      THR  99  10.155 -12.426   1.891
  657   HG23  THR  99          2HG2      THR  99   9.392 -10.892   2.303
  658    H    ILE 100           H        ILE 100   9.196  -8.106   0.247
  659    HA   ILE 100           HA       ILE 100  10.642  -8.108  -2.290
  660    HB   ILE 100           HB       ILE 100  10.712  -5.765  -0.421
  661   HG12  ILE 100          2HG1      ILE 100   8.708  -5.013  -2.062
  662   HG13  ILE 100          3HG1      ILE 100   8.321  -6.727  -1.900
  663   HG21  ILE 100          2HG2      ILE 100  10.870  -4.531  -2.527
  664   HG22  ILE 100          1HG2      ILE 100  10.715  -6.044  -3.419
  665   HG23  ILE 100          3HG2      ILE 100  12.120  -5.767  -2.389
  666   HD11  ILE 100          3HD1      ILE 100   8.251  -6.461   0.527
  667   HD12  ILE 100          2HD1      ILE 100   7.123  -5.376  -0.278
  668   HD13  ILE 100          1HD1      ILE 100   8.652  -4.757   0.350
  669    H    SER 101           H        SER 101  12.805  -8.331  -2.422
  670    HA   SER 101           HA       SER 101  14.421  -8.677  -0.096
  671    HB2  SER 101           HB2      SER 101  16.306  -8.645  -1.799
  672    HB3  SER 101           HB3      SER 101  15.061  -9.862  -2.077
  673    HG   SER 101           HG       SER 101  14.726  -8.986  -3.938
  674    H    ALA 102           H        ALA 102  16.142  -7.266   0.590
  675    HA   ALA 102           HA       ALA 102  15.354  -4.707   1.135
  676    HB1  ALA 102           HB1      ALA 102  17.128  -5.894   2.326
  677    HB2  ALA 102           HB2      ALA 102  18.203  -5.666   0.948
  678    HB3  ALA 102           HB3      ALA 102  17.630  -4.268   1.859
  679    H    SER 103           H        SER 103  17.408  -5.730  -1.575
  680    HA   SER 103           HA       SER 103  18.184  -3.202  -2.459
  681    HB2  SER 103           HB2      SER 103  17.732  -5.696  -4.116
  682    HB3  SER 103           HB3      SER 103  18.694  -4.296  -4.595
  683    HG   SER 103           HG       SER 103  19.902  -6.108  -3.673
  684    H    GLU 104           H        GLU 104  15.419  -5.184  -3.558
  685    HA   GLU 104           HA       GLU 104  14.474  -3.069  -5.256
  686    HB2  GLU 104           HB2      GLU 104  14.083  -5.371  -5.911
  687    HB3  GLU 104           HB3      GLU 104  13.198  -5.680  -4.424
  688    HG2  GLU 104           HG2      GLU 104  11.377  -4.371  -5.105
  689    HG3  GLU 104           HG3      GLU 104  12.301  -3.607  -6.395
  690    H    ALA 105           H        ALA 105  14.031  -4.019  -1.985
  691    HA   ALA 105           HA       ALA 105  11.528  -2.871  -1.448
  692    HB1  ALA 105           HB1      ALA 105  12.682  -4.376   0.101
  693    HB2  ALA 105           HB2      ALA 105  13.896  -3.133   0.403
  694    HB3  ALA 105           HB3      ALA 105  12.221  -2.866   0.886
  695    H    GLY 106           H        GLY 106  14.800  -1.508  -1.398
  696    HA2  GLY 106           HA1      GLY 106  14.035   1.067  -0.475
  697    HA3  GLY 106           HA2      GLY 106  15.534   0.672  -1.297
  698    H    ASN 107           H        ASN 107  13.378  -0.411  -3.406
  699    HA   ASN 107           HA       ASN 107  13.518   1.956  -5.063
  700    HB2  ASN 107           HB2      ASN 107  13.924  -0.097  -6.195
  701    HB3  ASN 107           HB3      ASN 107  12.493  -0.850  -5.508
  702   HD21  ASN 107          1HD2      ASN 107  10.510  -0.515  -6.455
  703   HD22  ASN 107          2HD2      ASN 107  10.317   0.280  -7.975
  704    H    TYR 108           H        TYR 108  11.314   0.585  -2.871
  705    HA   TYR 108           HA       TYR 108   8.990   1.848  -4.117
  706    HB2  TYR 108           HB2      TYR 108   9.199   0.039  -1.712
  707    HB3  TYR 108           HB3      TYR 108   7.701   0.696  -2.349
  708    HD1  TYR 108           HD2      TYR 108   7.144   0.092  -4.815
  709    HD2  TYR 108           HD1      TYR 108   9.949  -2.028  -2.427
  710    HE1  TYR 108           HE2      TYR 108   6.873  -1.881  -6.259
  711    HE2  TYR 108           HE1      TYR 108   9.677  -4.009  -3.853
  712    HH   TYR 108           HH       TYR 108   8.222  -3.942  -6.865
  713    H    ASN 109           H        ASN 109   8.045   3.619  -3.354
  714    HA   ASN 109           HA       ASN 109   9.260   5.041  -1.119
  715    HB2  ASN 109           HB2      ASN 109   7.042   5.845  -3.024
  716    HB3  ASN 109           HB3      ASN 109   7.694   6.888  -1.764
  717   HD21  ASN 109          1HD2      ASN 109   8.095   5.646  -4.918
  718   HD22  ASN 109          2HD2      ASN 109   9.553   6.496  -5.315
  719    H    TYR 110           H        TYR 110   7.885   5.918   0.614
  720    HA   TYR 110           HA       TYR 110   5.264   4.684   0.879
  721    HB2  TYR 110           HB2      TYR 110   5.608   3.857   3.100
  722    HB3  TYR 110           HB3      TYR 110   6.843   3.164   2.064
  723    HD1  TYR 110           HD1      TYR 110   8.273   6.152   2.330
  724    HD2  TYR 110           HD2      TYR 110   7.095   3.004   4.921
  725    HE1  TYR 110           HE1      TYR 110   9.971   6.854   3.949
  726    HE2  TYR 110           HE2      TYR 110   8.800   3.696   6.547
  727    HH   TYR 110           HH       TYR 110  10.911   4.932   6.596
  728    H    ILE 111           H        ILE 111   4.084   5.692   2.804
  729    HA   ILE 111           HA       ILE 111   4.807   8.535   2.810
  730    HB   ILE 111           HB       ILE 111   2.331   9.010   2.617
  731   HG12  ILE 111          2HG1      ILE 111   2.296   6.113   1.731
  732   HG13  ILE 111          3HG1      ILE 111   1.503   6.755   3.159
  733   HG21  ILE 111          2HG2      ILE 111   2.351   8.728   0.166
  734   HG22  ILE 111          1HG2      ILE 111   3.752   7.668   0.320
  735   HG23  ILE 111          3HG2      ILE 111   3.876   9.364   0.786
  736   HD11  ILE 111          3HD1      ILE 111   0.069   8.138   1.696
  737   HD12  ILE 111          2HD1      ILE 111  -0.114   6.405   1.411
  738   HD13  ILE 111          1HD1      ILE 111   0.835   7.386   0.291
  739    H    HIS 112           H        HIS 112   5.085   9.273   4.743
  740    HA   HIS 112           HA       HIS 112   3.975   7.852   7.037
  741    HB2  HIS 112           HB2      HIS 112   6.262   9.691   6.573
  742    HB3  HIS 112           HB3      HIS 112   5.513   9.731   8.164
  743    HD1  HIS 112           HD1      HIS 112   5.776   7.673   9.660
  744    HD2  HIS 112           HD2      HIS 112   7.716   7.330   5.982
  745    HE1  HIS 112           HE1      HIS 112   7.336   5.724   9.899
  746    HE2  HIS 112           HE2      HIS 112   8.691   5.723   7.782
  747    H    ILE 113           H        ILE 113   2.599   8.740   8.507
  748    HA   ILE 113           HA       ILE 113   1.459  11.347   7.897
  749    HB   ILE 113           HB       ILE 113  -0.116  10.590   9.812
  750   HG12  ILE 113          2HG1      ILE 113   0.981   7.918   8.936
  751   HG13  ILE 113          3HG1      ILE 113   1.245   8.657  10.510
  752   HG21  ILE 113          2HG2      ILE 113  -0.163   9.293   7.102
  753   HG22  ILE 113          1HG2      ILE 113  -0.819  10.876   7.520
  754   HG23  ILE 113          3HG2      ILE 113  -1.544   9.416   8.193
  755   HD11  ILE 113          3HD1      ILE 113  -0.473   6.951  10.617
  756   HD12  ILE 113          2HD1      ILE 113  -1.408   7.799   9.385
  757   HD13  ILE 113          1HD1      ILE 113  -1.150   8.544  10.963
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1 -18.328   6.279  -6.735
    2    H2   GLY   1           H2       GLY   1 -19.079   6.076  -8.243
    3    H3   GLY   1           H3       GLY   1 -19.386   4.980  -6.988
    4    HA2  GLY   1           HA2      GLY   1 -20.123   7.851  -6.958
    5    HA3  GLY   1           HA1      GLY   1 -21.230   6.532  -7.310
    6    H    SER   2           H        SER   2 -22.514   7.227  -5.530
    7    HA   SER   2           HA       SER   2 -21.393   7.150  -2.871
    8    HB2  SER   2           HB2      SER   2 -23.793   7.646  -2.227
    9    HB3  SER   2           HB3      SER   2 -23.039   8.835  -3.288
   10    HG   SER   2           HG       SER   2 -25.271   7.467  -3.698
   11    H    SER   3           H        SER   3 -22.253   4.767  -4.932
   12    HA   SER   3           HA       SER   3 -23.902   3.179  -3.215
   13    HB2  SER   3           HB2      SER   3 -22.402   2.352  -5.708
   14    HB3  SER   3           HB3      SER   3 -23.723   1.472  -4.938
   15    HG   SER   3           HG       SER   3 -24.864   3.644  -5.263
   16    H    ILE   4           H        ILE   4 -22.527   3.235  -1.335
   17    HA   ILE   4           HA       ILE   4 -20.609   1.002  -1.401
   18    HB   ILE   4           HB       ILE   4 -19.381   2.090   0.481
   19   HG12  ILE   4          2HG1      ILE   4 -21.021   4.523  -0.278
   20   HG13  ILE   4          3HG1      ILE   4 -21.183   3.610   1.217
   21   HG21  ILE   4          2HG2      ILE   4 -18.497   2.186  -1.772
   22   HG22  ILE   4          1HG2      ILE   4 -18.150   3.691  -0.921
   23   HG23  ILE   4          3HG2      ILE   4 -19.448   3.631  -2.111
   24   HD11  ILE   4          3HD1      ILE   4 -18.742   5.139   0.348
   25   HD12  ILE   4          2HD1      ILE   4 -18.921   4.240   1.855
   26   HD13  ILE   4          1HD1      ILE   4 -19.922   5.662   1.550
   27    H    SER   5           H        SER   5 -20.650  -0.358   0.456
   28    HA   SER   5           HA       SER   5 -22.613   0.113   2.507
   29    HB2  SER   5           HB2      SER   5 -24.019  -0.685   0.617
   30    HB3  SER   5           HB3      SER   5 -23.065  -2.165   0.557
   31    HG   SER   5           HG       SER   5 -25.134  -1.518   2.172
   32    H    HIS   6           H        HIS   6 -21.756  -0.634   4.284
   33    HA   HIS   6           HA       HIS   6 -20.704  -1.931   5.813
   34    HB2  HIS   6           HB2      HIS   6 -20.791  -4.060   3.667
   35    HB3  HIS   6           HB3      HIS   6 -20.352  -4.336   5.349
   36    HD1  HIS   6           HD1      HIS   6 -23.177  -4.385   3.107
   37    HD2  HIS   6           HD2      HIS   6 -22.603  -3.696   7.169
   38    HE1  HIS   6           HE1      HIS   6 -25.440  -4.651   4.169
   39    HE2  HIS   6           HE2      HIS   6 -25.103  -4.034   6.585
   40    H    SER   7           H        SER   7 -19.300  -0.466   3.508
   41    HA   SER   7           HA       SER   7 -16.696  -1.793   3.645
   42    HB2  SER   7           HB2      SER   7 -17.445  -1.159   1.396
   43    HB3  SER   7           HB3      SER   7 -17.627   0.515   1.915
   44    HG   SER   7           HG       SER   7 -15.606   0.769   1.448
   45    H    GLY   8           H        GLY   8 -15.161  -1.056   4.970
   46    HA2  GLY   8           HA1      GLY   8 -15.652   1.313   6.553
   47    HA3  GLY   8           HA2      GLY   8 -14.276   0.225   6.692
   48    H    ASN   9           H        ASN   9 -14.266   0.704   3.568
   49    HA   ASN   9           HA       ASN   9 -12.604   3.128   3.733
   50    HB2  ASN   9           HB2      ASN   9 -11.248   1.136   3.342
   51    HB3  ASN   9           HB3      ASN   9 -12.252   0.693   1.968
   52   HD21  ASN   9          1HD2      ASN   9 -10.322   0.659   0.735
   53   HD22  ASN   9          2HD2      ASN   9  -9.625   2.126   0.143
   54    H    LEU  10           H        LEU  10 -12.538   4.464   1.869
   55    HA   LEU  10           HA       LEU  10 -15.133   4.993   0.818
   56    HB2  LEU  10           HB2      LEU  10 -12.435   6.161   0.149
   57    HB3  LEU  10           HB3      LEU  10 -13.968   6.838  -0.363
   58    HG   LEU  10           HG       LEU  10 -12.943   6.642   2.467
   59   HD11  LEU  10          2HD1      LEU  10 -11.936   8.426   1.151
   60   HD12  LEU  10          1HD1      LEU  10 -13.014   9.077   2.385
   61   HD13  LEU  10          3HD1      LEU  10 -13.538   9.011   0.703
   62   HD21  LEU  10          3HD2      LEU  10 -15.582   7.708   1.466
   63   HD22  LEU  10          2HD2      LEU  10 -14.993   7.783   3.126
   64   HD23  LEU  10          1HD2      LEU  10 -15.355   6.224   2.387
   65    H    TYR  11           H        TYR  11 -12.487   3.114  -0.260
   66    HA   TYR  11           HA       TYR  11 -12.954   3.420  -3.071
   67    HB2  TYR  11           HB2      TYR  11 -10.820   2.583  -1.598
   68    HB3  TYR  11           HB3      TYR  11 -11.460   1.043  -2.165
   69    HD1  TYR  11           HD1      TYR  11 -10.279   4.361  -3.304
   70    HD2  TYR  11           HD2      TYR  11 -11.052   0.320  -4.373
   71    HE1  TYR  11           HE1      TYR  11  -9.174   4.733  -5.469
   72    HE2  TYR  11           HE2      TYR  11  -9.954   0.678  -6.546
   73    HH   TYR  11           HH       TYR  11  -9.399   2.532  -8.055
   74    H    THR  12           H        THR  12 -12.819   0.844  -4.056
   75    HA   THR  12           HA       THR  12 -15.566   0.186  -4.066
   76    HB   THR  12           HB       THR  12 -13.353  -1.561  -5.134
   77    HG1  THR  12           HG1      THR  12 -14.335   0.931  -6.054
   78   HG21  THR  12          3HG2      THR  12 -15.604  -2.499  -5.242
   79   HG22  THR  12          1HG2      THR  12 -15.017  -2.102  -6.857
   80   HG23  THR  12          2HG2      THR  12 -16.184  -1.048  -6.058
   81    H    ALA  13           H        ALA  13 -13.296  -2.455  -3.810
   82    HA   ALA  13           HA       ALA  13 -13.736  -3.233  -1.164
   83    HB1  ALA  13           HB1      ALA  13 -16.055  -3.573  -1.864
   84    HB2  ALA  13           HB2      ALA  13 -15.516  -4.623  -3.173
   85    HB3  ALA  13           HB3      ALA  13 -15.282  -5.115  -1.495
   86    H    GLY  14           H        GLY  14 -12.142  -4.609  -0.695
   87    HA2  GLY  14           HA1      GLY  14 -10.418  -6.096  -0.938
   88    HA3  GLY  14           HA2      GLY  14 -11.420  -6.868  -2.156
   89    H    GLN  15           H        GLN  15 -10.324  -3.573  -2.461
   90    HA   GLN  15           HA       GLN  15  -8.918  -4.329  -4.896
   91    HB2  GLN  15           HB2      GLN  15  -9.666  -1.623  -3.782
   92    HB3  GLN  15           HB3      GLN  15  -8.839  -1.875  -5.312
   93    HG2  GLN  15           HG2      GLN  15 -11.558  -2.974  -4.643
   94    HG3  GLN  15           HG3      GLN  15 -11.266  -1.479  -5.533
   95   HE21  GLN  15          1HE2      GLN  15 -10.841  -4.950  -5.588
   96   HE22  GLN  15          2HE2      GLN  15 -10.754  -5.106  -7.309
   97    H    CYS  16           H        CYS  16  -6.896  -3.139  -5.411
   98    HA   CYS  16           HA       CYS  16  -4.835  -3.763  -3.627
   99    HB2  CYS  16           HB2      CYS  16  -3.551  -2.125  -5.218
  100    HB3  CYS  16           HB3      CYS  16  -4.175  -3.652  -5.843
  101    HG   CYS  16           HG       CYS  16  -4.688  -1.839  -7.826
  102    H    THR  17           H        THR  17  -6.523  -0.722  -4.243
  103    HA   THR  17           HA       THR  17  -4.856   0.616  -2.224
  104    HB   THR  17           HB       THR  17  -6.053   2.691  -2.985
  105    HG1  THR  17           HG1      THR  17  -7.166   2.396  -5.068
  106   HG21  THR  17          3HG2      THR  17  -3.878   2.132  -3.912
  107   HG22  THR  17          1HG2      THR  17  -4.907   2.833  -5.160
  108   HG23  THR  17          2HG2      THR  17  -4.635   1.090  -5.117
  109    H    TRP  18           H        TRP  18  -7.485  -1.250  -2.229
  110    HA   TRP  18           HA       TRP  18  -9.059   0.282  -0.319
  111    HB2  TRP  18           HB2      TRP  18 -10.147  -1.053  -2.136
  112    HB3  TRP  18           HB3      TRP  18  -9.517  -2.507  -1.376
  113    HD1  TRP  18           HD1      TRP  18 -12.223   0.154  -0.979
  114    HE1  TRP  18           HE1      TRP  18 -13.940  -0.672   0.753
  115    HE3  TRP  18           HE3      TRP  18  -9.744  -3.981   0.739
  116    HZ2  TRP  18           HZ2      TRP  18 -14.199  -2.768   2.618
  117    HZ3  TRP  18           HZ3      TRP  18 -10.796  -5.329   2.503
  118    HH2  TRP  18           HH2      TRP  18 -12.974  -4.738   3.424
  119    H    TYR  19           H        TYR  19  -7.294  -2.811  -0.541
  120    HA   TYR  19           HA       TYR  19  -7.649  -3.638   2.114
  121    HB2  TYR  19           HB2      TYR  19  -6.813  -5.111   0.359
  122    HB3  TYR  19           HB3      TYR  19  -5.352  -4.144   0.211
  123    HD1  TYR  19           HD2      TYR  19  -7.240  -6.128   2.761
  124    HD2  TYR  19           HD1      TYR  19  -3.451  -4.836   1.323
  125    HE1  TYR  19           HE2      TYR  19  -6.125  -7.581   4.403
  126    HE2  TYR  19           HE1      TYR  19  -2.328  -6.287   2.958
  127    HH   TYR  19           HH       TYR  19  -2.773  -7.374   5.091
  128    H    VAL  20           H        VAL  20  -5.220  -1.585   0.640
  129    HA   VAL  20           HA       VAL  20  -3.464  -1.301   2.778
  130    HB   VAL  20           HB       VAL  20  -4.183   0.687   0.625
  131   HG11  VAL  20          2HG1      VAL  20  -3.160   1.845   2.492
  132   HG12  VAL  20          1HG1      VAL  20  -2.028   1.750   1.143
  133   HG13  VAL  20          3HG1      VAL  20  -1.845   0.672   2.527
  134   HG21  VAL  20          3HG2      VAL  20  -2.136  -0.109  -0.453
  135   HG22  VAL  20          2HG2      VAL  20  -3.290  -1.423  -0.219
  136   HG23  VAL  20          1HG2      VAL  20  -1.897  -1.269   0.853
  137    H    TYR  21           H        TYR  21  -6.200   0.836   1.898
  138    HA   TYR  21           HA       TYR  21  -5.817   2.576   4.094
  139    HB2  TYR  21           HB2      TYR  21  -7.074   3.068   1.937
  140    HB3  TYR  21           HB3      TYR  21  -8.415   2.162   2.623
  141    HD1  TYR  21           HD1      TYR  21  -6.231   5.100   3.263
  142    HD2  TYR  21           HD2      TYR  21  -9.968   3.214   4.002
  143    HE1  TYR  21           HE1      TYR  21  -7.033   7.141   4.368
  144    HE2  TYR  21           HE2      TYR  21 -10.784   5.244   5.110
  145    HH   TYR  21           HH       TYR  21  -9.996   7.218   6.173
  146    H    ASP  22           H        ASP  22  -7.610  -0.394   3.685
  147    HA   ASP  22           HA       ASP  22  -9.173  -0.176   6.054
  148    HB2  ASP  22           HB2      ASP  22  -9.731  -1.749   4.234
  149    HB3  ASP  22           HB3      ASP  22  -8.272  -2.667   4.590
  150    H    LYS  23           H        LYS  23  -6.101  -1.798   5.315
  151    HA   LYS  23           HA       LYS  23  -5.728  -2.911   7.881
  152    HB2  LYS  23           HB2      LYS  23  -3.858  -2.360   5.600
  153    HB3  LYS  23           HB3      LYS  23  -3.268  -3.023   7.117
  154    HG2  LYS  23           HG2      LYS  23  -5.414  -4.270   5.418
  155    HG3  LYS  23           HG3      LYS  23  -3.713  -4.738   5.404
  156    HD2  LYS  23           HD2      LYS  23  -5.567  -4.866   7.785
  157    HD3  LYS  23           HD3      LYS  23  -5.042  -6.240   6.810
  158    HE2  LYS  23           HE2      LYS  23  -2.736  -5.863   7.475
  159    HE3  LYS  23           HE3      LYS  23  -3.209  -4.428   8.382
  160    HZ1  LYS  23           HZ1      LYS  23  -4.607  -5.897   9.779
  161    HZ2  LYS  23           HZ2      LYS  23  -2.950  -6.234   9.896
  162    HZ3  LYS  23           HZ3      LYS  23  -3.953  -7.241   8.974
  163    H    VAL  24           H        VAL  24  -4.910   0.241   6.579
  164    HA   VAL  24           HA       VAL  24  -3.257   0.900   8.865
  165    HB   VAL  24           HB       VAL  24  -3.066   3.138   7.898
  166   HG11  VAL  24          2HG1      VAL  24  -1.559   1.385   7.115
  167   HG12  VAL  24          1HG1      VAL  24  -1.920   2.532   5.825
  168   HG13  VAL  24          3HG1      VAL  24  -2.708   0.954   5.848
  169   HG21  VAL  24          3HG2      VAL  24  -4.969   2.145   5.781
  170   HG22  VAL  24          2HG2      VAL  24  -4.098   3.678   5.745
  171   HG23  VAL  24          1HG2      VAL  24  -5.310   3.381   6.990
  172    H    GLY  25           H        GLY  25  -6.398   0.416   8.684
  173    HA2  GLY  25           HA1      GLY  25  -8.045   0.873  10.222
  174    HA3  GLY  25           HA2      GLY  25  -6.895   1.888  11.080
  175    H    GLY  26           H        GLY  26  -7.495   2.509   7.727
  176    HA2  GLY  26           HA1      GLY  26  -8.527   4.261   6.658
  177    HA3  GLY  26           HA2      GLY  26  -9.601   4.374   8.041
  178    H    GLU  27           H        GLU  27  -6.130   4.856   7.618
  179    HA   GLU  27           HA       GLU  27  -6.405   7.375   9.081
  180    HB2  GLU  27           HB2      GLU  27  -4.889   5.764  10.103
  181    HB3  GLU  27           HB3      GLU  27  -3.958   5.664   8.617
  182    HG2  GLU  27           HG2      GLU  27  -2.910   7.057  10.371
  183    HG3  GLU  27           HG3      GLU  27  -3.199   7.922   8.861
  184    H    ILE  28           H        ILE  28  -4.017   6.259   6.674
  185    HA   ILE  28           HA       ILE  28  -3.907   9.029   5.799
  186    HB   ILE  28           HB       ILE  28  -1.753   8.730   5.096
  187   HG12  ILE  28          2HG1      ILE  28  -2.333   6.827   3.528
  188   HG13  ILE  28          3HG1      ILE  28  -0.726   6.767   4.238
  189   HG21  ILE  28          2HG2      ILE  28  -1.839   8.335   7.478
  190   HG22  ILE  28          1HG2      ILE  28  -0.537   7.399   6.741
  191   HG23  ILE  28          3HG2      ILE  28  -2.041   6.605   7.205
  192   HD11  ILE  28          3HD1      ILE  28  -1.703   4.575   4.170
  193   HD12  ILE  28          2HD1      ILE  28  -3.117   5.139   5.064
  194   HD13  ILE  28          1HD1      ILE  28  -1.537   5.098   5.848
  195    H    GLY  29           H        GLY  29  -4.574   9.750   3.880
  196    HA2  GLY  29           HA1      GLY  29  -4.715   9.790   1.580
  197    HA3  GLY  29           HA2      GLY  29  -4.196   8.118   1.551
  198    H    SER  30           H        SER  30  -7.077   9.968   2.614
  199    HA   SER  30           HA       SER  30  -8.821   7.906   1.603
  200    HB2  SER  30           HB2      SER  30 -10.579   9.759   2.027
  201    HB3  SER  30           HB3      SER  30  -9.751   9.069   3.420
  202    HG   SER  30           HG       SER  30  -9.873  11.604   2.729
  203    H    THR  31           H        THR  31  -7.065  10.410   0.259
  204    HA   THR  31           HA       THR  31  -8.696  10.398  -2.178
  205    HB   THR  31           HB       THR  31  -7.378  12.934  -1.241
  206    HG1  THR  31           HG1      THR  31  -9.832  11.818  -0.362
  207   HG21  THR  31          3HG2      THR  31  -9.836  12.387  -2.911
  208   HG22  THR  31          1HG2      THR  31  -8.239  12.784  -3.544
  209   HG23  THR  31          2HG2      THR  31  -9.130  13.972  -2.591
  210    H    TRP  32           H        TRP  32  -6.236   8.951  -1.500
  211    HA   TRP  32           HA       TRP  32  -4.051  10.390  -2.686
  212    HB2  TRP  32           HB2      TRP  32  -2.742   8.339  -2.354
  213    HB3  TRP  32           HB3      TRP  32  -3.577   8.833  -0.886
  214    HD1  TRP  32           HD1      TRP  32  -5.357   6.933  -3.654
  215    HE1  TRP  32           HE1      TRP  32  -6.040   4.647  -2.787
  216    HE3  TRP  32           HE3      TRP  32  -2.949   7.038   0.833
  217    HZ2  TRP  32           HZ2      TRP  32  -5.640   3.048  -0.500
  218    HZ3  TRP  32           HZ3      TRP  32  -3.151   5.072   2.313
  219    HH2  TRP  32           HH2      TRP  32  -4.465   3.122   1.659
  220    H    GLY  33           H        GLY  33  -6.632   8.708  -3.971
  221    HA2  GLY  33           HA1      GLY  33  -7.101   8.305  -6.221
  222    HA3  GLY  33           HA2      GLY  33  -5.427   8.699  -6.592
  223    H    ASN  34           H        ASN  34  -4.389   7.080  -7.462
  224    HA   ASN  34           HA       ASN  34  -4.661   4.465  -6.175
  225    HB2  ASN  34           HB2      ASN  34  -4.174   3.410  -8.415
  226    HB3  ASN  34           HB3      ASN  34  -5.768   4.119  -8.232
  227   HD21  ASN  34          1HD2      ASN  34  -2.927   6.100  -8.792
  228   HD22  ASN  34          2HD2      ASN  34  -3.342   6.556 -10.412
  229    H    ALA  35           H        ALA  35  -2.667   3.102  -7.421
  230    HA   ALA  35           HA       ALA  35  -0.693   3.709  -5.585
  231    HB1  ALA  35           HB1      ALA  35   0.567   1.927  -6.571
  232    HB2  ALA  35           HB2      ALA  35  -1.144   1.500  -6.522
  233    HB3  ALA  35           HB3      ALA  35  -0.406   2.011  -8.040
  234    H    ASN  36           H        ASN  36  -0.564   4.314  -9.120
  235    HA   ASN  36           HA       ASN  36   2.117   5.279  -8.968
  236    HB2  ASN  36           HB2      ASN  36   1.822   5.982 -11.305
  237    HB3  ASN  36           HB3      ASN  36   1.305   4.323 -11.041
  238   HD21  ASN  36          1HD2      ASN  36   0.080   4.395 -12.939
  239   HD22  ASN  36          2HD2      ASN  36  -1.434   5.238 -13.013
  240    H    ASN  37           H        ASN  37  -0.774   6.661  -8.087
  241    HA   ASN  37           HA       ASN  37   0.183   9.405  -8.526
  242    HB2  ASN  37           HB2      ASN  37  -2.089   8.823  -9.380
  243    HB3  ASN  37           HB3      ASN  37  -2.581   8.432  -7.739
  244   HD21  ASN  37          1HD2      ASN  37  -3.081  10.074  -6.321
  245   HD22  ASN  37          2HD2      ASN  37  -3.173  11.733  -6.803
  246    H    TRP  38           H        TRP  38   0.308   7.033  -6.318
  247    HA   TRP  38           HA       TRP  38  -0.735   7.967  -3.950
  248    HB2  TRP  38           HB2      TRP  38   1.120   5.911  -4.746
  249    HB3  TRP  38           HB3      TRP  38   1.617   6.654  -3.222
  250    HD1  TRP  38           HD1      TRP  38  -1.954   5.746  -4.468
  251    HE1  TRP  38           HE1      TRP  38  -3.036   4.323  -2.655
  252    HE3  TRP  38           HE3      TRP  38   2.002   5.419  -1.253
  253    HZ2  TRP  38           HZ2      TRP  38  -2.307   3.239  -0.100
  254    HZ3  TRP  38           HZ3      TRP  38   1.738   4.168   0.835
  255    HH2  TRP  38           HH2      TRP  38  -0.373   3.092   1.388
  256    H    ALA  39           H        ALA  39   2.748   8.151  -4.758
  257    HA   ALA  39           HA       ALA  39   3.481   9.627  -2.540
  258    HB1  ALA  39           HB1      ALA  39   5.114   8.522  -3.944
  259    HB2  ALA  39           HB2      ALA  39   4.762   9.629  -5.272
  260    HB3  ALA  39           HB3      ALA  39   5.513  10.233  -3.795
  261    H    ALA  40           H        ALA  40   2.169  10.771  -5.594
  262    HA   ALA  40           HA       ALA  40   2.708  13.527  -5.137
  263    HB1  ALA  40           HB1      ALA  40   2.301  12.608  -7.376
  264    HB2  ALA  40           HB2      ALA  40   0.633  12.258  -6.925
  265    HB3  ALA  40           HB3      ALA  40   1.195  13.929  -7.000
  266    H    ALA  41           H        ALA  41  -0.258  11.566  -4.831
  267    HA   ALA  41           HA       ALA  41  -1.841  13.667  -3.753
  268    HB1  ALA  41           HB1      ALA  41  -2.755  11.642  -4.876
  269    HB2  ALA  41           HB2      ALA  41  -2.294  10.687  -3.467
  270    HB3  ALA  41           HB3      ALA  41  -3.495  11.971  -3.312
  271    H    ALA  42           H        ALA  42   0.094  11.118  -2.371
  272    HA   ALA  42           HA       ALA  42  -0.686  11.299   0.311
  273    HB1  ALA  42           HB1      ALA  42   1.918  10.469  -0.948
  274    HB2  ALA  42           HB2      ALA  42   1.525  10.252   0.756
  275    HB3  ALA  42           HB3      ALA  42   0.572   9.430  -0.476
  276    H    GLN  43           H        GLN  43   2.138  12.766  -1.332
  277    HA   GLN  43           HA       GLN  43   2.947  14.221   0.961
  278    HB2  GLN  43           HB2      GLN  43   3.634  14.597  -1.956
  279    HB3  GLN  43           HB3      GLN  43   4.396  15.485  -0.642
  280    HG2  GLN  43           HG2      GLN  43   5.095  13.282   0.316
  281    HG3  GLN  43           HG3      GLN  43   4.513  12.528  -1.170
  282   HE21  GLN  43          1HE2      GLN  43   6.925  14.547   0.274
  283   HE22  GLN  43          2HE2      GLN  43   8.030  14.534  -1.059
  284    H    GLY  44           H        GLY  44   0.688  14.852  -1.600
  285    HA2  GLY  44           HA1      GLY  44   0.344  17.636  -1.068
  286    HA3  GLY  44           HA2      GLY  44  -0.783  16.595  -1.930
  287    H    ALA  45           H        ALA  45  -0.709  14.750   0.487
  288    HA   ALA  45           HA       ALA  45  -2.706  16.175   2.074
  289    HB1  ALA  45           HB1      ALA  45  -1.920  13.261   2.127
  290    HB2  ALA  45           HB2      ALA  45  -3.273  13.993   2.990
  291    HB3  ALA  45           HB3      ALA  45  -3.273  13.944   1.226
  292    H    GLY  46           H        GLY  46   0.542  15.815   2.096
  293    HA2  GLY  46           HA1      GLY  46   1.851  16.867   3.763
  294    HA3  GLY  46           HA2      GLY  46   0.608  16.488   4.944
  295    H    PHE  47           H        PHE  47   1.382  13.827   2.953
  296    HA   PHE  47           HA       PHE  47   2.615  12.494   5.203
  297    HB2  PHE  47           HB2      PHE  47   2.305  11.414   2.396
  298    HB3  PHE  47           HB3      PHE  47   2.638  10.493   3.849
  299    HD1  PHE  47           HD1      PHE  47   0.326  12.667   5.048
  300    HD2  PHE  47           HD2      PHE  47   0.618   9.473   2.254
  301    HE1  PHE  47           HE1      PHE  47  -2.085  12.234   5.287
  302    HE2  PHE  47           HE2      PHE  47  -1.786   9.022   2.474
  303    HZ   PHE  47           HZ       PHE  47  -3.143  10.423   3.998
  304    H    THR  48           H        THR  48   4.704  11.655   5.270
  305    HA   THR  48           HA       THR  48   6.609  12.998   3.476
  306    HB   THR  48           HB       THR  48   7.237  11.593   6.076
  307    HG1  THR  48           HG1      THR  48   6.616  13.332   7.126
  308   HG21  THR  48          3HG2      THR  48   9.139  12.016   4.576
  309   HG22  THR  48          1HG2      THR  48   9.242  12.991   6.041
  310   HG23  THR  48          2HG2      THR  48   8.715  13.727   4.526
  311    H    VAL  49           H        VAL  49   7.798  11.800   2.059
  312    HA   VAL  49           HA       VAL  49   7.609   8.884   2.344
  313    HB   VAL  49           HB       VAL  49   7.677   8.583   0.025
  314   HG11  VAL  49          2HG1      VAL  49   5.820   9.918  -0.844
  315   HG12  VAL  49          1HG1      VAL  49   5.978  11.020   0.524
  316   HG13  VAL  49          3HG1      VAL  49   5.513   9.340   0.792
  317   HG21  VAL  49          3HG2      VAL  49   8.126  10.282  -1.624
  318   HG22  VAL  49          2HG2      VAL  49   9.472  10.165  -0.493
  319   HG23  VAL  49          1HG2      VAL  49   8.326  11.498  -0.359
  320    H    ASN  50           H        ASN  50   9.396   7.795   2.738
  321    HA   ASN  50           HA       ASN  50  12.004   9.095   2.238
  322    HB2  ASN  50           HB2      ASN  50  11.356   7.234   4.537
  323    HB3  ASN  50           HB3      ASN  50  12.849   8.135   4.293
  324   HD21  ASN  50          1HD2      ASN  50  10.856   8.057   6.480
  325   HD22  ASN  50          2HD2      ASN  50  10.399   9.710   6.730
  326    H    HIS  51           H        HIS  51  10.104   6.919   1.093
  327    HA   HIS  51           HA       HIS  51  10.020   4.741   0.515
  328    HB2  HIS  51           HB2      HIS  51  11.714   4.165  -1.203
  329    HB3  HIS  51           HB3      HIS  51  11.027   5.763  -1.425
  330    HD1  HIS  51           HD1      HIS  51  12.612   7.797  -1.060
  331    HD2  HIS  51           HD2      HIS  51  14.477   4.087  -0.783
  332    HE1  HIS  51           HE1      HIS  51  15.078   8.260  -1.218
  333    HE2  HIS  51           HE2      HIS  51  16.188   6.022  -0.942
  334    H    THR  52           H        THR  52  10.143   3.916   2.649
  335    HA   THR  52           HA       THR  52  12.195   1.926   2.929
  336    HB   THR  52           HB       THR  52  11.895   4.018   5.116
  337    HG1  THR  52           HG1      THR  52  13.528   3.905   2.937
  338   HG21  THR  52          3HG2      THR  52  12.340   1.761   5.975
  339   HG22  THR  52          1HG2      THR  52  13.731   2.817   6.208
  340   HG23  THR  52          2HG2      THR  52  13.737   1.627   4.908
  341    HA   PRO  53           HA       PRO  53   7.993   0.527   4.110
  342    HB2  PRO  53           HB2      PRO  53   8.724  -2.144   4.035
  343    HB3  PRO  53           HB3      PRO  53   8.093  -1.229   2.662
  344    HG2  PRO  53           HG2      PRO  53  10.928  -1.856   3.385
  345    HG3  PRO  53           HG3      PRO  53  10.144  -1.885   1.794
  346    HD2  PRO  53           HD2      PRO  53  11.709   0.151   2.499
  347    HD3  PRO  53           HD3      PRO  53  10.209   0.427   1.582
  348    H    SER  54           H        SER  54   7.134  -0.487   5.952
  349    HA   SER  54           HA       SER  54   8.828  -1.411   8.080
  350    HB2  SER  54           HB2      SER  54   7.348   1.219   8.406
  351    HB3  SER  54           HB3      SER  54   8.195   0.356   9.686
  352    HG   SER  54           HG       SER  54   9.828   0.733   7.574
  353    H    LYS  55           H        LYS  55   7.484  -2.051   9.969
  354    HA   LYS  55           HA       LYS  55   5.191  -3.456   9.060
  355    HB2  LYS  55           HB2      LYS  55   6.683  -4.250  10.872
  356    HB3  LYS  55           HB3      LYS  55   6.121  -2.937  11.893
  357    HG2  LYS  55           HG2      LYS  55   3.915  -3.855  11.976
  358    HG3  LYS  55           HG3      LYS  55   4.329  -5.080  10.775
  359    HD2  LYS  55           HD2      LYS  55   4.348  -6.081  12.970
  360    HD3  LYS  55           HD3      LYS  55   6.000  -6.003  12.354
  361    HE2  LYS  55           HE2      LYS  55   6.016  -5.350  14.660
  362    HE3  LYS  55           HE3      LYS  55   6.331  -3.925  13.673
  363    HZ1  LYS  55           HZ1      LYS  55   4.773  -3.421  15.430
  364    HZ2  LYS  55           HZ2      LYS  55   3.726  -4.649  14.906
  365    HZ3  LYS  55           HZ3      LYS  55   3.997  -3.293  13.927
  366    H    GLY  56           H        GLY  56   3.394  -2.380   8.481
  367    HA2  GLY  56           HA1      GLY  56   1.344  -1.387   9.332
  368    HA3  GLY  56           HA2      GLY  56   2.334  -0.390  10.392
  369    H    ALA  57           H        ALA  57   4.039  -0.416   7.647
  370    HA   ALA  57           HA       ALA  57   2.815   2.073   6.700
  371    HB1  ALA  57           HB1      ALA  57   5.181   2.212   7.218
  372    HB2  ALA  57           HB2      ALA  57   5.525   0.881   6.112
  373    HB3  ALA  57           HB3      ALA  57   4.926   2.417   5.484
  374    H    ILE  58           H        ILE  58   3.695   2.137   4.083
  375    HA   ILE  58           HA       ILE  58   2.500  -0.248   2.865
  376    HB   ILE  58           HB       ILE  58   1.854   2.516   1.858
  377   HG12  ILE  58          2HG1      ILE  58  -0.511   1.834   2.802
  378   HG13  ILE  58          3HG1      ILE  58   0.436   0.860   3.917
  379   HG21  ILE  58          2HG2      ILE  58   0.676  -0.206   1.315
  380   HG22  ILE  58          1HG2      ILE  58   1.677   0.751   0.221
  381   HG23  ILE  58          3HG2      ILE  58   0.063   1.313   0.659
  382   HD11  ILE  58          3HD1      ILE  58   0.662   3.840   3.551
  383   HD12  ILE  58          2HD1      ILE  58   1.600   2.863   4.680
  384   HD13  ILE  58          1HD1      ILE  58  -0.147   3.013   4.884
  385    H    LEU  59           H        LEU  59   3.217  -0.748   0.821
  386    HA   LEU  59           HA       LEU  59   5.783   0.453   0.066
  387    HB2  LEU  59           HB2      LEU  59   5.480  -2.015   0.595
  388    HB3  LEU  59           HB3      LEU  59   4.497  -2.134  -0.845
  389    HG   LEU  59           HG       LEU  59   6.861  -2.937  -1.077
  390   HD11  LEU  59          2HD1      LEU  59   5.949  -0.706  -2.867
  391   HD12  LEU  59          1HD1      LEU  59   5.552  -2.418  -3.021
  392   HD13  LEU  59          3HD1      LEU  59   7.211  -1.874  -3.255
  393   HD21  LEU  59          3HD2      LEU  59   7.899  -1.224   0.316
  394   HD22  LEU  59          2HD2      LEU  59   7.491  -0.005  -0.891
  395   HD23  LEU  59          1HD2      LEU  59   8.621  -1.299  -1.290
  396    H    GLN  60           H        GLN  60   5.956   1.637  -1.832
  397    HA   GLN  60           HA       GLN  60   3.641   1.590  -3.664
  398    HB2  GLN  60           HB2      GLN  60   3.458   3.480  -2.088
  399    HB3  GLN  60           HB3      GLN  60   5.025   4.066  -2.611
  400    HG2  GLN  60           HG2      GLN  60   2.874   3.703  -4.632
  401    HG3  GLN  60           HG3      GLN  60   2.800   5.081  -3.541
  402   HE21  GLN  60          1HE2      GLN  60   3.123   5.068  -6.406
  403   HE22  GLN  60          2HE2      GLN  60   4.631   5.853  -6.744
  404    H    SER  61           H        SER  61   4.008   1.767  -5.762
  405    HA   SER  61           HA       SER  61   6.664   2.559  -6.733
  406    HB2  SER  61           HB2      SER  61   6.529   0.091  -6.761
  407    HB3  SER  61           HB3      SER  61   5.054   0.190  -7.719
  408    HG   SER  61           HG       SER  61   7.386   1.456  -8.644
  409    H    SER  62           H        SER  62   6.635   3.538  -8.803
  410    HA   SER  62           HA       SER  62   4.084   4.793  -9.416
  411    HB2  SER  62           HB2      SER  62   6.827   5.316 -10.588
  412    HB3  SER  62           HB3      SER  62   5.395   6.328 -10.782
  413    HG   SER  62           HG       SER  62   6.939   6.987  -9.107
  414    H    GLU  63           H        GLU  63   6.126   2.311 -10.677
  415    HA   GLU  63           HA       GLU  63   4.950   2.476 -13.327
  416    HB2  GLU  63           HB2      GLU  63   6.408   0.620 -13.917
  417    HB3  GLU  63           HB3      GLU  63   7.324   1.902 -13.141
  418    HG2  GLU  63           HG2      GLU  63   7.440   0.661 -11.096
  419    HG3  GLU  63           HG3      GLU  63   6.352  -0.572 -11.736
  420    H    GLY  64           H        GLY  64   4.088   0.426 -14.310
  421    HA2  GLY  64           HA1      GLY  64   2.940  -1.686 -13.857
  422    HA3  GLY  64           HA2      GLY  64   2.423  -0.994 -12.324
  423    HA   PRO  65           HA       PRO  65  -0.784  -0.381 -15.801
  424    HB2  PRO  65           HB2      PRO  65  -2.806  -1.734 -14.534
  425    HB3  PRO  65           HB3      PRO  65  -1.710  -2.475 -15.706
  426    HG2  PRO  65           HG2      PRO  65  -1.616  -2.540 -12.714
  427    HG3  PRO  65           HG3      PRO  65  -1.329  -3.853 -13.873
  428    HD2  PRO  65           HD2      PRO  65   0.698  -2.563 -12.670
  429    HD3  PRO  65           HD3      PRO  65   0.819  -3.133 -14.347
  430    H    PHE  66           H        PHE  66  -0.832  -0.234 -12.314
  431    HA   PHE  66           HA       PHE  66  -2.268   2.316 -12.453
  432    HB2  PHE  66           HB2      PHE  66  -3.681   1.740 -10.579
  433    HB3  PHE  66           HB3      PHE  66  -3.866   0.489 -11.805
  434    HD1  PHE  66           HD1      PHE  66  -2.605  -1.670 -11.518
  435    HD2  PHE  66           HD2      PHE  66  -2.969   1.217  -8.422
  436    HE1  PHE  66           HE1      PHE  66  -2.002  -3.385  -9.861
  437    HE2  PHE  66           HE2      PHE  66  -2.367  -0.491  -6.754
  438    HZ   PHE  66           HZ       PHE  66  -1.881  -2.797  -7.474
  439    H    GLY  67           H        GLY  67   0.440   0.760 -11.705
  440    HA2  GLY  67           HA1      GLY  67   2.234   1.711 -10.425
  441    HA3  GLY  67           HA2      GLY  67   1.034   2.368  -9.316
  442    H    HIS  68           H        HIS  68   2.379   1.315  -7.639
  443    HA   HIS  68           HA       HIS  68   1.368  -1.399  -7.178
  444    HB2  HIS  68           HB2      HIS  68   3.665  -1.594  -8.188
  445    HB3  HIS  68           HB3      HIS  68   4.302  -0.671  -6.820
  446    HD1  HIS  68           HD1      HIS  68   5.452  -3.400  -7.259
  447    HD2  HIS  68           HD2      HIS  68   2.070  -2.779  -4.928
  448    HE1  HIS  68           HE1      HIS  68   5.341  -5.361  -5.693
  449    HE2  HIS  68           HE2      HIS  68   3.152  -5.087  -4.463
  450    H    VAL  69           H        VAL  69   0.015  -0.505  -5.438
  451    HA   VAL  69           HA       VAL  69   1.724   0.158  -3.151
  452    HB   VAL  69           HB       VAL  69  -0.272   1.128  -2.068
  453   HG11  VAL  69          2HG1      VAL  69  -0.248   3.177  -3.398
  454   HG12  VAL  69          1HG1      VAL  69   0.493   2.298  -4.735
  455   HG13  VAL  69          3HG1      VAL  69   1.370   2.499  -3.218
  456   HG21  VAL  69          3HG2      VAL  69  -2.010  -0.062  -3.318
  457   HG22  VAL  69          2HG2      VAL  69  -1.545   0.799  -4.786
  458   HG23  VAL  69          1HG2      VAL  69  -2.227   1.685  -3.420
  459    H    ALA  70           H        ALA  70   2.033  -1.341  -1.811
  460    HA   ALA  70           HA       ALA  70  -0.098  -3.276  -1.219
  461    HB1  ALA  70           HB1      ALA  70   2.845  -3.882  -1.486
  462    HB2  ALA  70           HB2      ALA  70   1.597  -5.023  -0.982
  463    HB3  ALA  70           HB3      ALA  70   1.585  -4.366  -2.620
  464    H    TYR  71           H        TYR  71  -0.506  -3.437   0.897
  465    HA   TYR  71           HA       TYR  71   0.784  -1.609   2.651
  466    HB2  TYR  71           HB2      TYR  71  -1.498  -1.899   3.068
  467    HB3  TYR  71           HB3      TYR  71  -1.393  -3.657   2.953
  468    HD1  TYR  71           HD1      TYR  71  -0.811  -0.748   5.122
  469    HD2  TYR  71           HD2      TYR  71  -0.731  -4.989   4.815
  470    HE1  TYR  71           HE1      TYR  71  -0.624  -0.909   7.570
  471    HE2  TYR  71           HE2      TYR  71  -0.542  -5.161   7.264
  472    HH   TYR  71           HH       TYR  71   0.159  -3.847   9.163
  473    H    VAL  72           H        VAL  72   2.299  -1.941   4.172
  474    HA   VAL  72           HA       VAL  72   3.837  -4.396   3.933
  475    HB   VAL  72           HB       VAL  72   4.471  -1.967   5.612
  476   HG11  VAL  72          2HG1      VAL  72   5.719  -3.945   6.227
  477   HG12  VAL  72          1HG1      VAL  72   6.781  -2.786   5.426
  478   HG13  VAL  72          3HG1      VAL  72   6.195  -4.199   4.547
  479   HG21  VAL  72          3HG2      VAL  72   5.872  -1.188   3.778
  480   HG22  VAL  72          2HG2      VAL  72   4.183  -1.294   3.280
  481   HG23  VAL  72          1HG2      VAL  72   5.329  -2.539   2.779
  482    H    GLU  73           H        GLU  73   3.307  -6.038   5.190
  483    HA   GLU  73           HA       GLU  73   1.823  -5.665   7.621
  484    HB2  GLU  73           HB2      GLU  73   2.930  -8.117   6.256
  485    HB3  GLU  73           HB3      GLU  73   2.055  -8.181   7.778
  486    HG2  GLU  73           HG2      GLU  73   0.896  -6.972   5.284
  487    HG3  GLU  73           HG3      GLU  73   0.732  -8.679   5.691
  488    H    SER  74           H        SER  74   5.141  -6.227   6.722
  489    HA   SER  74           HA       SER  74   6.235  -5.538   9.187
  490    HB2  SER  74           HB2      SER  74   7.072  -7.853   9.870
  491    HB3  SER  74           HB3      SER  74   5.367  -7.526  10.176
  492    HG   SER  74           HG       SER  74   6.497  -9.425   8.605
  493    H    VAL  75           H        VAL  75   8.491  -5.446   9.093
  494    HA   VAL  75           HA       VAL  75   9.682  -6.430   6.589
  495    HB   VAL  75           HB       VAL  75   9.951  -4.014   6.880
  496   HG11  VAL  75          2HG1      VAL  75  11.329  -3.086   8.673
  497   HG12  VAL  75          1HG1      VAL  75  11.442  -4.684   9.412
  498   HG13  VAL  75          3HG1      VAL  75   9.880  -3.873   9.304
  499   HG21  VAL  75          3HG2      VAL  75  11.692  -5.217   5.696
  500   HG22  VAL  75          2HG2      VAL  75  12.533  -5.539   7.213
  501   HG23  VAL  75          1HG2      VAL  75  12.394  -3.887   6.616
  502    H    ASN  76           H        ASN  76  11.262  -7.935   6.659
  503    HA   ASN  76           HA       ASN  76  11.424  -9.380   9.140
  504    HB2  ASN  76           HB2      ASN  76  12.591 -10.018   6.425
  505    HB3  ASN  76           HB3      ASN  76  12.571 -11.111   7.806
  506   HD21  ASN  76          1HD2      ASN  76  11.418 -11.523   5.216
  507   HD22  ASN  76          2HD2      ASN  76   9.714 -11.727   5.446
  508    H    SER  77           H        SER  77  13.499 -10.340   9.839
  509    HA   SER  77           HA       SER  77  15.308  -8.272  10.505
  510    HB2  SER  77           HB2      SER  77  15.734 -11.250  10.785
  511    HB3  SER  77           HB3      SER  77  16.493  -9.972  11.732
  512    HG   SER  77           HG       SER  77  13.997  -9.502  12.066
  513    H    ASP  78           H        ASP  78  15.210 -10.502   7.870
  514    HA   ASP  78           HA       ASP  78  18.033 -10.324   7.280
  515    HB2  ASP  78           HB2      ASP  78  15.705 -11.609   5.867
  516    HB3  ASP  78           HB3      ASP  78  17.304 -11.524   5.134
  517    H    GLY  79           H        GLY  79  15.571  -8.190   6.926
  518    HA2  GLY  79           HA1      GLY  79  15.868  -6.089   5.854
  519    HA3  GLY  79           HA2      GLY  79  16.952  -6.861   4.703
  520    H    SER  80           H        SER  80  14.908  -9.105   4.511
  521    HA   SER  80           HA       SER  80  13.487  -8.136   2.258
  522    HB2  SER  80           HB2      SER  80  12.943 -10.631   3.884
  523    HB3  SER  80           HB3      SER  80  12.451 -10.326   2.218
  524    HG   SER  80           HG       SER  80  15.013  -9.971   2.191
  525    H    VAL  81           H        VAL  81  11.284  -7.672   2.050
  526    HA   VAL  81           HA       VAL  81   9.977  -6.962   4.596
  527    HB   VAL  81           HB       VAL  81   9.674  -5.639   1.895
  528   HG11  VAL  81          2HG1      VAL  81   8.461  -3.907   3.154
  529   HG12  VAL  81          1HG1      VAL  81   8.571  -4.907   4.605
  530   HG13  VAL  81          3HG1      VAL  81   7.647  -5.470   3.212
  531   HG21  VAL  81          3HG2      VAL  81  10.874  -3.758   2.954
  532   HG22  VAL  81          2HG2      VAL  81  11.864  -5.211   2.817
  533   HG23  VAL  81          1HG2      VAL  81  11.156  -4.772   4.372
  534    H    THR  82           H        THR  82   8.071  -7.874   5.041
  535    HA   THR  82           HA       THR  82   6.776  -9.495   2.989
  536    HB   THR  82           HB       THR  82   6.289  -9.291   5.970
  537    HG1  THR  82           HG1      THR  82   7.210 -11.608   4.651
  538   HG21  THR  82          3HG2      THR  82   4.225  -9.883   4.803
  539   HG22  THR  82          1HG2      THR  82   4.859 -11.269   5.688
  540   HG23  THR  82          2HG2      THR  82   5.069 -11.167   3.940
  541    H    ILE  83           H        ILE  83   5.383  -8.424   1.749
  542    HA   ILE  83           HA       ILE  83   3.634  -6.434   3.039
  543    HB   ILE  83           HB       ILE  83   3.328  -5.412   0.815
  544   HG12  ILE  83          2HG1      ILE  83   5.517  -7.305  -0.075
  545   HG13  ILE  83          3HG1      ILE  83   3.820  -7.445  -0.524
  546   HG21  ILE  83          2HG2      ILE  83   6.205  -5.630   1.687
  547   HG22  ILE  83          1HG2      ILE  83   4.998  -4.515   2.332
  548   HG23  ILE  83          3HG2      ILE  83   5.535  -4.364   0.658
  549   HD11  ILE  83          3HD1      ILE  83   5.172  -6.440  -2.292
  550   HD12  ILE  83          2HD1      ILE  83   5.617  -5.128  -1.201
  551   HD13  ILE  83          1HD1      ILE  83   3.937  -5.331  -1.699
  552    H    SER  84           H        SER  84   1.449  -6.347   2.336
  553    HA   SER  84           HA       SER  84   0.519  -8.767   0.961
  554    HB2  SER  84           HB2      SER  84  -0.725  -7.459   3.388
  555    HB3  SER  84           HB3      SER  84  -1.482  -8.747   2.448
  556    HG   SER  84           HG       SER  84   1.030  -9.442   3.077
  557    H    GLU  85           H        GLU  85  -0.354  -8.261  -0.836
  558    HA   GLU  85           HA       GLU  85  -1.810  -5.728  -1.119
  559    HB2  GLU  85           HB2      GLU  85  -1.176  -5.983  -3.605
  560    HB3  GLU  85           HB3      GLU  85   0.076  -5.468  -2.485
  561    HG2  GLU  85           HG2      GLU  85   0.786  -7.895  -2.370
  562    HG3  GLU  85           HG3      GLU  85  -0.295  -8.178  -3.731
  563    H    MET  86           H        MET  86  -3.894  -6.263  -0.943
  564    HA   MET  86           HA       MET  86  -4.949  -8.756  -1.845
  565    HB2  MET  86           HB2      MET  86  -5.886  -7.583   0.099
  566    HB3  MET  86           HB3      MET  86  -6.376  -6.255  -0.941
  567    HG2  MET  86           HG2      MET  86  -7.920  -7.657  -2.113
  568    HG3  MET  86           HG3      MET  86  -7.346  -9.074  -1.240
  569    HE1  MET  86           HE1      MET  86  -8.761  -8.633   2.306
  570    HE2  MET  86           HE2      MET  86  -8.038  -9.741   1.138
  571    HE3  MET  86           HE3      MET  86  -7.126  -8.344   1.711
  572    H    ASN  87           H        ASN  87  -5.639  -9.271  -3.756
  573    HA   ASN  87           HA       ASN  87  -6.533  -9.225  -5.830
  574    HB2  ASN  87           HB2      ASN  87  -8.283  -7.712  -5.014
  575    HB3  ASN  87           HB3      ASN  87  -7.222  -6.331  -5.269
  576   HD21  ASN  87          1HD2      ASN  87  -8.600  -5.350  -6.729
  577   HD22  ASN  87          2HD2      ASN  87  -8.863  -5.959  -8.327
  578    H    TYR  88           H        TYR  88  -5.050  -5.996  -5.369
  579    HA   TYR  88           HA       TYR  88  -3.452  -4.897  -6.598
  580    HB2  TYR  88           HB2      TYR  88  -2.145  -6.844  -5.659
  581    HB3  TYR  88           HB3      TYR  88  -2.428  -7.694  -7.170
  582    HD1  TYR  88           HD2      TYR  88  -1.138  -4.359  -6.061
  583    HD2  TYR  88           HD1      TYR  88  -0.697  -7.684  -8.673
  584    HE1  TYR  88           HE2      TYR  88   0.895  -3.348  -7.000
  585    HE2  TYR  88           HE1      TYR  88   1.339  -6.684  -9.618
  586    HH   TYR  88           HH       TYR  88   2.325  -4.399  -9.858
  587    H    SER  89           H        SER  89  -5.838  -5.285  -7.881
  588    HA   SER  89           HA       SER  89  -6.994  -5.564  -9.791
  589    HB2  SER  89           HB2      SER  89  -5.911  -4.643 -11.865
  590    HB3  SER  89           HB3      SER  89  -5.882  -3.559 -10.479
  591    HG   SER  89           HG       SER  89  -3.680  -5.135 -10.534
  592    H    GLY  90           H        GLY  90  -6.975  -7.857  -9.343
  593    HA2  GLY  90           HA1      GLY  90  -6.314  -9.338 -11.699
  594    HA3  GLY  90           HA2      GLY  90  -5.235  -9.736 -10.368
  595    H    GLY  91           H        GLY  91  -5.956 -10.983  -8.698
  596    HA2  GLY  91           HA1      GLY  91  -8.533 -12.291  -9.110
  597    HA3  GLY  91           HA2      GLY  91  -7.264 -12.800  -8.004
  598    HA   PRO  92           HA       PRO  92 -10.556  -9.529  -6.282
  599    HB2  PRO  92           HB2      PRO  92 -12.688 -11.215  -5.741
  600    HB3  PRO  92           HB3      PRO  92 -12.592 -10.100  -7.106
  601    HG2  PRO  92           HG2      PRO  92 -12.022 -13.030  -7.007
  602    HG3  PRO  92           HG3      PRO  92 -12.832 -12.086  -8.273
  603    HD2  PRO  92           HD2      PRO  92 -10.297 -12.891  -8.549
  604    HD3  PRO  92           HD3      PRO  92 -10.828 -11.302  -9.143
  605    H    PHE  93           H        PHE  93  -9.772  -9.252  -4.335
  606    HA   PHE  93           HA       PHE  93  -9.387  -9.458  -2.130
  607    HB2  PHE  93           HB2      PHE  93 -11.166 -11.882  -2.356
  608    HB3  PHE  93           HB3      PHE  93 -10.486 -11.292  -0.840
  609    HD1  PHE  93           HD2      PHE  93 -12.913 -10.653  -3.507
  610    HD2  PHE  93           HD1      PHE  93 -11.324  -9.282   0.192
  611    HE1  PHE  93           HE2      PHE  93 -14.829  -9.133  -3.254
  612    HE2  PHE  93           HE1      PHE  93 -13.241  -7.764   0.458
  613    HZ   PHE  93           HZ       PHE  93 -14.996  -7.685  -1.267
  614    H    SER  94           H        SER  94  -7.978 -11.267  -4.359
  615    HA   SER  94           HA       SER  94  -6.681 -13.249  -2.790
  616    HB2  SER  94           HB2      SER  94  -5.746 -11.858  -5.316
  617    HB3  SER  94           HB3      SER  94  -4.956 -13.262  -4.587
  618    HG   SER  94           HG       SER  94  -6.902 -13.286  -6.319
  619    H    VAL  95           H        VAL  95  -6.138 -12.201  -0.856
  620    HA   VAL  95           HA       VAL  95  -4.445  -9.961  -0.764
  621    HB   VAL  95           HB       VAL  95  -5.679 -10.524   1.210
  622   HG11  VAL  95          2HG1      VAL  95  -4.138 -13.111   1.288
  623   HG12  VAL  95          1HG1      VAL  95  -5.857 -12.923   0.943
  624   HG13  VAL  95          3HG1      VAL  95  -5.230 -12.533   2.545
  625   HG21  VAL  95          3HG2      VAL  95  -3.557  -9.402   1.583
  626   HG22  VAL  95          2HG2      VAL  95  -2.736 -10.959   1.701
  627   HG23  VAL  95          1HG2      VAL  95  -3.926 -10.495   2.918
  628    H    SER  96           H        SER  96  -2.748 -10.169  -2.153
  629    HA   SER  96           HA       SER  96  -1.322 -12.582  -2.520
  630    HB2  SER  96           HB2      SER  96  -1.603 -10.859  -4.278
  631    HB3  SER  96           HB3      SER  96  -0.548  -9.782  -3.364
  632    HG   SER  96           HG       SER  96   0.701 -10.811  -4.883
  633    H    SER  97           H        SER  97   0.347 -13.377  -1.546
  634    HA   SER  97           HA       SER  97   1.646 -11.879   0.591
  635    HB2  SER  97           HB2      SER  97   2.193 -14.738  -0.217
  636    HB3  SER  97           HB3      SER  97   2.464 -13.978   1.353
  637    HG   SER  97           HG       SER  97  -0.008 -14.651   0.129
  638    H    ARG  98           H        ARG  98   3.243 -10.562  -0.114
  639    HA   ARG  98           HA       ARG  98   5.075 -11.611  -2.175
  640    HB2  ARG  98           HB2      ARG  98   3.332  -9.836  -2.868
  641    HB3  ARG  98           HB3      ARG  98   4.316  -8.711  -1.942
  642    HG2  ARG  98           HG2      ARG  98   6.211  -9.131  -3.375
  643    HG3  ARG  98           HG3      ARG  98   5.302 -10.370  -4.251
  644    HD2  ARG  98           HD2      ARG  98   3.654  -8.648  -4.899
  645    HD3  ARG  98           HD3      ARG  98   4.648  -7.430  -4.104
  646    HE   ARG  98           HE       ARG  98   6.403  -8.457  -5.826
  647   HH11  ARG  98          2HH1      ARG  98   3.044  -7.509  -6.284
  648   HH12  ARG  98          1HH1      ARG  98   3.270  -7.091  -7.956
  649   HH21  ARG  98          2HH2      ARG  98   6.690  -7.885  -8.025
  650   HH22  ARG  98          1HH2      ARG  98   5.334  -7.314  -8.958
  651    H    THR  99           H        THR  99   7.254 -11.041  -1.985
  652    HA   THR  99           HA       THR  99   7.979  -9.761   0.569
  653    HB   THR  99           HB       THR  99   9.459 -12.021  -0.806
  654    HG1  THR  99           HG1      THR  99   7.445 -12.636   0.229
  655   HG21  THR  99          3HG2      THR  99  10.801 -12.082   1.244
  656   HG22  THR  99          1HG2      THR  99   9.908 -10.701   1.875
  657   HG23  THR  99          2HG2      THR  99  10.930 -10.512   0.451
  658    H    ILE 100           H        ILE 100   9.042  -7.934   0.291
  659    HA   ILE 100           HA       ILE 100  10.332  -7.378  -2.274
  660    HB   ILE 100           HB       ILE 100   9.886  -5.527   0.080
  661   HG12  ILE 100          2HG1      ILE 100   7.745  -6.238  -0.887
  662   HG13  ILE 100          3HG1      ILE 100   8.069  -4.541  -1.244
  663   HG21  ILE 100          2HG2      ILE 100  11.740  -4.860  -1.353
  664   HG22  ILE 100          1HG2      ILE 100  10.388  -3.739  -1.501
  665   HG23  ILE 100          3HG2      ILE 100  10.687  -4.934  -2.764
  666   HD11  ILE 100          3HD1      ILE 100   7.132  -5.683  -3.167
  667   HD12  ILE 100          2HD1      ILE 100   8.448  -6.856  -3.135
  668   HD13  ILE 100          1HD1      ILE 100   8.783  -5.164  -3.499
  669    H    SER 101           H        SER 101  12.437  -7.848  -2.460
  670    HA   SER 101           HA       SER 101  14.228  -8.225  -0.307
  671    HB2  SER 101           HB2      SER 101  14.909  -7.377  -3.135
  672    HB3  SER 101           HB3      SER 101  15.983  -8.180  -1.988
  673    HG   SER 101           HG       SER 101  14.130  -9.849  -2.034
  674    H    ALA 102           H        ALA 102  15.881  -6.839   0.507
  675    HA   ALA 102           HA       ALA 102  15.052  -4.279   1.178
  676    HB1  ALA 102           HB1      ALA 102  16.725  -5.581   2.421
  677    HB2  ALA 102           HB2      ALA 102  17.893  -5.281   1.132
  678    HB3  ALA 102           HB3      ALA 102  17.266  -3.936   2.085
  679    H    SER 103           H        SER 103  17.183  -5.277  -1.457
  680    HA   SER 103           HA       SER 103  18.046  -2.735  -2.255
  681    HB2  SER 103           HB2      SER 103  18.337  -3.921  -4.520
  682    HB3  SER 103           HB3      SER 103  19.214  -4.585  -3.141
  683    HG   SER 103           HG       SER 103  18.231  -6.383  -3.600
  684    H    GLU 104           H        GLU 104  15.297  -4.687  -3.349
  685    HA   GLU 104           HA       GLU 104  14.315  -2.715  -5.162
  686    HB2  GLU 104           HB2      GLU 104  13.895  -5.225  -5.239
  687    HB3  GLU 104           HB3      GLU 104  12.747  -4.984  -3.931
  688    HG2  GLU 104           HG2      GLU 104  11.490  -5.041  -5.916
  689    HG3  GLU 104           HG3      GLU 104  11.557  -3.351  -5.419
  690    H    ALA 105           H        ALA 105  13.944  -3.359  -1.773
  691    HA   ALA 105           HA       ALA 105  11.610  -1.810  -1.315
  692    HB1  ALA 105           HB1      ALA 105  12.409  -3.457   0.303
  693    HB2  ALA 105           HB2      ALA 105  13.858  -2.489   0.581
  694    HB3  ALA 105           HB3      ALA 105  12.277  -1.858   1.038
  695    H    GLY 106           H        GLY 106  15.008  -1.075  -1.625
  696    HA2  GLY 106           HA1      GLY 106  14.829   1.645  -0.762
  697    HA3  GLY 106           HA2      GLY 106  16.125   0.941  -1.720
  698    H    ASN 107           H        ASN 107  13.648   0.066  -3.479
  699    HA   ASN 107           HA       ASN 107  13.819   2.349  -5.267
  700    HB2  ASN 107           HB2      ASN 107  14.010   0.222  -6.339
  701    HB3  ASN 107           HB3      ASN 107  12.587  -0.399  -5.513
  702   HD21  ASN 107          1HD2      ASN 107  10.526   0.180  -6.257
  703   HD22  ASN 107          2HD2      ASN 107  10.287   0.886  -7.820
  704    H    TYR 108           H        TYR 108  11.341   0.547  -3.480
  705    HA   TYR 108           HA       TYR 108   9.228   2.178  -4.537
  706    HB2  TYR 108           HB2      TYR 108   9.212   0.127  -2.334
  707    HB3  TYR 108           HB3      TYR 108   7.791   0.815  -3.106
  708    HD1  TYR 108           HD2      TYR 108   7.999   0.599  -5.834
  709    HD2  TYR 108           HD1      TYR 108   9.702  -2.016  -2.954
  710    HE1  TYR 108           HE2      TYR 108   7.993  -1.217  -7.489
  711    HE2  TYR 108           HE1      TYR 108   9.699  -3.840  -4.597
  712    HH   TYR 108           HH       TYR 108   9.287  -3.351  -7.874
  713    H    ASN 109           H        ASN 109   8.127   3.780  -3.561
  714    HA   ASN 109           HA       ASN 109   9.320   5.016  -1.224
  715    HB2  ASN 109           HB2      ASN 109   6.980   5.869  -2.957
  716    HB3  ASN 109           HB3      ASN 109   7.656   6.836  -1.647
  717   HD21  ASN 109          1HD2      ASN 109   8.052   5.750  -4.900
  718   HD22  ASN 109          2HD2      ASN 109   9.433   6.722  -5.277
  719    H    TYR 110           H        TYR 110   7.867   5.773   0.549
  720    HA   TYR 110           HA       TYR 110   5.394   4.294   0.878
  721    HB2  TYR 110           HB2      TYR 110   5.906   3.280   2.912
  722    HB3  TYR 110           HB3      TYR 110   7.370   3.020   1.979
  723    HD1  TYR 110           HD2      TYR 110   8.862   5.499   2.298
  724    HD2  TYR 110           HD1      TYR 110   6.467   3.413   5.117
  725    HE1  TYR 110           HE2      TYR 110  10.163   6.490   4.129
  726    HE2  TYR 110           HE1      TYR 110   7.759   4.400   6.956
  727    HH   TYR 110           HH       TYR 110  10.031   5.386   7.298
  728    H    ILE 111           H        ILE 111   3.955   5.336   2.291
  729    HA   ILE 111           HA       ILE 111   4.737   8.130   2.751
  730    HB   ILE 111           HB       ILE 111   2.413   8.770   2.262
  731   HG12  ILE 111          2HG1      ILE 111   2.028   5.923   1.322
  732   HG13  ILE 111          3HG1      ILE 111   1.456   6.501   2.877
  733   HG21  ILE 111          2HG2      ILE 111   2.507   8.346  -0.174
  734   HG22  ILE 111          1HG2      ILE 111   3.777   7.156   0.109
  735   HG23  ILE 111          3HG2      ILE 111   4.062   8.854   0.487
  736   HD11  ILE 111          3HD1      ILE 111  -0.335   6.470   1.244
  737   HD12  ILE 111          2HD1      ILE 111   0.599   7.516   0.171
  738   HD13  ILE 111          1HD1      ILE 111   0.023   8.129   1.727
  739    H    HIS 112           H        HIS 112   4.668   8.778   4.793
  740    HA   HIS 112           HA       HIS 112   2.610   7.631   6.532
  741    HB2  HIS 112           HB2      HIS 112   4.166   7.303   8.362
  742    HB3  HIS 112           HB3      HIS 112   4.718   6.392   6.963
  743    HD1  HIS 112           HD1      HIS 112   5.537   9.408   9.049
  744    HD2  HIS 112           HD2      HIS 112   7.218   7.160   5.946
  745    HE1  HIS 112           HE1      HIS 112   7.932  10.140   8.894
  746    HE2  HIS 112           HE2      HIS 112   8.975   8.581   7.219
  747    H    ILE 113           H        ILE 113   2.181   8.940   8.437
  748    HA   ILE 113           HA       ILE 113   2.211  11.712   7.896
  749    HB   ILE 113           HB       ILE 113   1.135  11.947  10.057
  750   HG12  ILE 113          2HG1      ILE 113   2.490  10.147  11.220
  751   HG13  ILE 113          3HG1      ILE 113   0.782  10.201  11.622
  752   HG21  ILE 113          2HG2      ILE 113  -0.217  11.322   8.144
  753   HG22  ILE 113          1HG2      ILE 113  -0.869  10.639   9.632
  754   HG23  ILE 113          3HG2      ILE 113   0.036   9.616   8.516
  755   HD11  ILE 113          3HD1      ILE 113   1.549   7.923  11.376
  756   HD12  ILE 113          2HD1      ILE 113   2.097   8.261   9.733
  757   HD13  ILE 113          1HD1      ILE 113   0.377   8.318  10.117
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -9.155   5.108  19.619
    2    H2   GLY   1           H2       GLY   1  -9.040   4.140  21.005
    3    H3   GLY   1           H3       GLY   1  -9.964   5.560  21.041
    4    HA2  GLY   1           HA2      GLY   1 -11.391   3.631  20.889
    5    HA3  GLY   1           HA1      GLY   1 -11.517   4.636  19.452
    6    H    SER   2           H        SER   2 -11.728   1.620  20.190
    7    HA   SER   2           HA       SER   2 -10.074   0.675  17.942
    8    HB2  SER   2           HB2      SER   2 -10.095  -1.555  19.225
    9    HB3  SER   2           HB3      SER   2  -9.061  -0.271  19.848
   10    HG   SER   2           HG       SER   2 -10.129  -0.438  21.636
   11    H    SER   3           H        SER   3 -12.990   1.556  18.330
   12    HA   SER   3           HA       SER   3 -14.453  -0.863  17.717
   13    HB2  SER   3           HB2      SER   3 -15.341   2.028  17.811
   14    HB3  SER   3           HB3      SER   3 -16.412   0.643  17.605
   15    HG   SER   3           HG       SER   3 -15.535  -0.132  19.650
   16    H    ILE   4           H        ILE   4 -14.144  -1.701  15.767
   17    HA   ILE   4           HA       ILE   4 -15.094  -0.395  13.459
   18    HB   ILE   4           HB       ILE   4 -13.046   0.845  13.421
   19   HG12  ILE   4          2HG1      ILE   4 -12.891  -1.437  11.441
   20   HG13  ILE   4          3HG1      ILE   4 -13.858   0.020  11.258
   21   HG21  ILE   4          2HG2      ILE   4 -11.707  -0.554  14.892
   22   HG22  ILE   4          1HG2      ILE   4 -10.837  -0.193  13.402
   23   HG23  ILE   4          3HG2      ILE   4 -11.575  -1.778  13.627
   24   HD11  ILE   4          3HD1      ILE   4 -11.820   1.361  11.195
   25   HD12  ILE   4          2HD1      ILE   4 -11.839   0.137   9.927
   26   HD13  ILE   4          1HD1      ILE   4 -10.854  -0.105  11.370
   27    H    SER   5           H        SER   5 -16.153  -2.077  12.682
   28    HA   SER   5           HA       SER   5 -14.751  -4.650  12.435
   29    HB2  SER   5           HB2      SER   5 -17.170  -5.492  12.063
   30    HB3  SER   5           HB3      SER   5 -16.707  -5.020  13.698
   31    HG   SER   5           HG       SER   5 -18.475  -3.861  13.506
   32    H    HIS   6           H        HIS   6 -13.725  -3.355  10.612
   33    HA   HIS   6           HA       HIS   6 -13.605  -2.413   8.561
   34    HB2  HIS   6           HB2      HIS   6 -14.058  -3.970   6.701
   35    HB3  HIS   6           HB3      HIS   6 -13.144  -4.709   8.001
   36    HD1  HIS   6           HD1      HIS   6 -14.225  -6.702   9.226
   37    HD2  HIS   6           HD2      HIS   6 -16.624  -5.031   6.268
   38    HE1  HIS   6           HE1      HIS   6 -16.090  -8.343   8.855
   39    HE2  HIS   6           HE2      HIS   6 -17.635  -7.210   7.213
   40    H    SER   7           H        SER   7 -14.928  -0.672   8.966
   41    HA   SER   7           HA       SER   7 -17.763  -0.825   8.565
   42    HB2  SER   7           HB2      SER   7 -16.077   1.655   8.930
   43    HB3  SER   7           HB3      SER   7 -17.793   1.452   9.295
   44    HG   SER   7           HG       SER   7 -16.613   1.279  11.206
   45    H    GLY   8           H        GLY   8 -15.433  -0.893   6.355
   46    HA2  GLY   8           HA1      GLY   8 -15.861  -0.751   4.033
   47    HA3  GLY   8           HA2      GLY   8 -17.121   0.431   4.364
   48    H    ASN   9           H        ASN   9 -15.138   0.763   2.400
   49    HA   ASN   9           HA       ASN   9 -13.666   3.059   3.523
   50    HB2  ASN   9           HB2      ASN   9 -12.732   1.171   1.343
   51    HB3  ASN   9           HB3      ASN   9 -11.895   2.635   1.835
   52   HD21  ASN   9          1HD2      ASN   9 -10.988  -0.107   1.818
   53   HD22  ASN   9          2HD2      ASN   9 -10.514  -0.463   3.441
   54    H    LEU  10           H        LEU  10 -13.039   4.619   1.724
   55    HA   LEU  10           HA       LEU  10 -15.265   5.430   0.209
   56    HB2  LEU  10           HB2      LEU  10 -12.347   6.098  -0.187
   57    HB3  LEU  10           HB3      LEU  10 -13.688   6.957  -0.918
   58    HG   LEU  10           HG       LEU  10 -13.097   6.817   2.040
   59   HD11  LEU  10          2HD1      LEU  10 -12.563   9.196   1.793
   60   HD12  LEU  10          1HD1      LEU  10 -12.790   9.057   0.049
   61   HD13  LEU  10          3HD1      LEU  10 -11.483   8.176   0.842
   62   HD21  LEU  10          3HD2      LEU  10 -14.870   8.479   2.259
   63   HD22  LEU  10          2HD2      LEU  10 -15.493   6.980   1.570
   64   HD23  LEU  10          1HD2      LEU  10 -15.195   8.372   0.529
   65    H    TYR  11           H        TYR  11 -12.657   3.250  -0.443
   66    HA   TYR  11           HA       TYR  11 -12.984   3.358  -3.310
   67    HB2  TYR  11           HB2      TYR  11 -10.799   2.960  -1.850
   68    HB3  TYR  11           HB3      TYR  11 -11.298   1.277  -1.984
   69    HD1  TYR  11           HD2      TYR  11 -10.902   4.268  -4.190
   70    HD2  TYR  11           HD1      TYR  11 -10.405   0.070  -3.739
   71    HE1  TYR  11           HE2      TYR  11  -9.878   4.160  -6.422
   72    HE2  TYR  11           HE1      TYR  11  -9.379  -0.054  -5.970
   73    HH   TYR  11           HH       TYR  11  -8.393   2.728  -7.705
   74    H    THR  12           H        THR  12 -12.572   0.706  -4.015
   75    HA   THR  12           HA       THR  12 -15.299  -0.013  -4.238
   76    HB   THR  12           HB       THR  12 -12.999  -1.771  -5.051
   77    HG1  THR  12           HG1      THR  12 -13.991   0.329  -6.680
   78   HG21  THR  12          3HG2      THR  12 -15.277  -2.628  -5.407
   79   HG22  THR  12          1HG2      THR  12 -14.446  -2.317  -6.933
   80   HG23  THR  12          2HG2      THR  12 -15.666  -1.185  -6.345
   81    H    ALA  13           H        ALA  13 -13.169  -2.705  -3.848
   82    HA   ALA  13           HA       ALA  13 -13.740  -3.401  -1.184
   83    HB1  ALA  13           HB1      ALA  13 -15.328  -5.218  -1.552
   84    HB2  ALA  13           HB2      ALA  13 -16.020  -3.673  -2.050
   85    HB3  ALA  13           HB3      ALA  13 -15.419  -4.802  -3.264
   86    H    GLY  14           H        GLY  14 -11.795  -4.278  -0.863
   87    HA2  GLY  14           HA1      GLY  14 -10.224  -5.964  -0.882
   88    HA3  GLY  14           HA2      GLY  14 -11.200  -6.804  -2.076
   89    H    GLN  15           H        GLN  15 -10.183  -3.524  -2.630
   90    HA   GLN  15           HA       GLN  15  -8.621  -4.457  -4.915
   91    HB2  GLN  15           HB2      GLN  15  -9.183  -1.583  -4.204
   92    HB3  GLN  15           HB3      GLN  15  -8.766  -2.250  -5.775
   93    HG2  GLN  15           HG2      GLN  15 -11.343  -2.731  -4.295
   94    HG3  GLN  15           HG3      GLN  15 -11.119  -1.592  -5.617
   95   HE21  GLN  15          1HE2      GLN  15  -9.415  -3.373  -7.168
   96   HE22  GLN  15          2HE2      GLN  15 -10.439  -4.613  -7.787
   97    H    CYS  16           H        CYS  16  -6.651  -2.776  -5.337
   98    HA   CYS  16           HA       CYS  16  -4.703  -3.589  -3.473
   99    HB2  CYS  16           HB2      CYS  16  -3.262  -1.904  -4.805
  100    HB3  CYS  16           HB3      CYS  16  -3.926  -3.293  -5.656
  101    HG   CYS  16           HG       CYS  16  -4.909  -1.870  -7.540
  102    H    THR  17           H        THR  17  -5.765  -0.264  -4.243
  103    HA   THR  17           HA       THR  17  -4.465   0.863  -1.977
  104    HB   THR  17           HB       THR  17  -5.805   2.910  -2.546
  105    HG1  THR  17           HG1      THR  17  -6.928   2.657  -4.668
  106   HG21  THR  17          3HG2      THR  17  -4.401   1.577  -4.863
  107   HG22  THR  17          1HG2      THR  17  -3.626   2.512  -3.584
  108   HG23  THR  17          2HG2      THR  17  -4.731   3.303  -4.709
  109    H    TRP  18           H        TRP  18  -7.481  -0.676  -2.492
  110    HA   TRP  18           HA       TRP  18  -8.934   0.440  -0.318
  111    HB2  TRP  18           HB2      TRP  18  -9.973  -0.747  -2.256
  112    HB3  TRP  18           HB3      TRP  18  -9.298  -2.254  -1.652
  113    HD1  TRP  18           HD1      TRP  18 -12.158   0.153  -1.149
  114    HE1  TRP  18           HE1      TRP  18 -13.821  -0.828   0.553
  115    HE3  TRP  18           HE3      TRP  18  -9.368  -3.795   0.536
  116    HZ2  TRP  18           HZ2      TRP  18 -13.928  -2.978   2.372
  117    HZ3  TRP  18           HZ3      TRP  18 -10.331  -5.261   2.259
  118    HH2  TRP  18           HH2      TRP  18 -12.563  -4.859   3.158
  119    H    TYR  19           H        TYR  19  -7.134  -2.610  -0.756
  120    HA   TYR  19           HA       TYR  19  -7.555  -3.626   1.827
  121    HB2  TYR  19           HB2      TYR  19  -6.739  -4.985  -0.039
  122    HB3  TYR  19           HB3      TYR  19  -5.234  -4.075  -0.062
  123    HD1  TYR  19           HD2      TYR  19  -7.297  -6.044   2.361
  124    HD2  TYR  19           HD1      TYR  19  -3.413  -5.033   0.963
  125    HE1  TYR  19           HE2      TYR  19  -6.318  -7.655   3.938
  126    HE2  TYR  19           HE1      TYR  19  -2.423  -6.638   2.535
  127    HH   TYR  19           HH       TYR  19  -2.864  -7.853   4.446
  128    H    VAL  20           H        VAL  20  -4.916  -1.698   0.494
  129    HA   VAL  20           HA       VAL  20  -3.317  -1.477   2.756
  130    HB   VAL  20           HB       VAL  20  -3.804   0.570   0.586
  131   HG11  VAL  20          2HG1      VAL  20  -1.677   1.561   1.263
  132   HG12  VAL  20          1HG1      VAL  20  -1.569   0.420   2.604
  133   HG13  VAL  20          3HG1      VAL  20  -2.857   1.625   2.572
  134   HG21  VAL  20          3HG2      VAL  20  -1.719  -0.301  -0.362
  135   HG22  VAL  20          2HG2      VAL  20  -2.951  -1.556  -0.243
  136   HG23  VAL  20          1HG2      VAL  20  -1.634  -1.498   0.930
  137    H    TYR  21           H        TYR  21  -6.000   0.620   1.720
  138    HA   TYR  21           HA       TYR  21  -5.761   2.472   3.829
  139    HB2  TYR  21           HB2      TYR  21  -6.993   2.767   1.622
  140    HB3  TYR  21           HB3      TYR  21  -8.303   1.835   2.336
  141    HD1  TYR  21           HD2      TYR  21  -6.235   4.879   2.953
  142    HD2  TYR  21           HD1      TYR  21  -9.971   2.915   3.519
  143    HE1  TYR  21           HE2      TYR  21  -7.158   6.924   3.949
  144    HE2  TYR  21           HE1      TYR  21 -10.900   4.956   4.514
  145    HH   TYR  21           HH       TYR  21 -10.081   6.989   5.656
  146    H    ASP  22           H        ASP  22  -7.586  -0.523   3.502
  147    HA   ASP  22           HA       ASP  22  -9.102  -0.207   5.892
  148    HB2  ASP  22           HB2      ASP  22  -9.836  -1.729   4.126
  149    HB3  ASP  22           HB3      ASP  22  -8.395  -2.714   4.354
  150    H    LYS  23           H        LYS  23  -6.090  -1.900   5.119
  151    HA   LYS  23           HA       LYS  23  -5.764  -3.114   7.647
  152    HB2  LYS  23           HB2      LYS  23  -3.826  -2.503   5.428
  153    HB3  LYS  23           HB3      LYS  23  -3.352  -3.358   6.888
  154    HG2  LYS  23           HG2      LYS  23  -5.596  -4.287   5.122
  155    HG3  LYS  23           HG3      LYS  23  -3.918  -4.782   4.888
  156    HD2  LYS  23           HD2      LYS  23  -5.392  -5.136   7.493
  157    HD3  LYS  23           HD3      LYS  23  -5.358  -6.369   6.230
  158    HE2  LYS  23           HE2      LYS  23  -2.895  -6.380   6.347
  159    HE3  LYS  23           HE3      LYS  23  -2.968  -5.197   7.651
  160    HZ1  LYS  23           HZ1      LYS  23  -3.940  -6.751   9.090
  161    HZ2  LYS  23           HZ2      LYS  23  -2.701  -7.609   8.302
  162    HZ3  LYS  23           HZ3      LYS  23  -4.315  -7.828   7.835
  163    H    VAL  24           H        VAL  24  -5.008   0.096   6.517
  164    HA   VAL  24           HA       VAL  24  -3.413   0.623   8.902
  165    HB   VAL  24           HB       VAL  24  -3.098   2.883   8.038
  166   HG11  VAL  24          2HG1      VAL  24  -1.574   1.132   7.312
  167   HG12  VAL  24          1HG1      VAL  24  -1.810   2.327   6.036
  168   HG13  VAL  24          3HG1      VAL  24  -2.627   0.766   5.945
  169   HG21  VAL  24          3HG2      VAL  24  -5.259   3.228   6.979
  170   HG22  VAL  24          2HG2      VAL  24  -4.870   2.019   5.753
  171   HG23  VAL  24          1HG2      VAL  24  -3.954   3.525   5.829
  172    H    GLY  25           H        GLY  25  -6.588   0.318   8.334
  173    HA2  GLY  25           HA1      GLY  25  -8.444   0.906   9.549
  174    HA3  GLY  25           HA2      GLY  25  -7.353   1.599  10.741
  175    H    GLY  26           H        GLY  26  -7.344   2.651   7.415
  176    HA2  GLY  26           HA1      GLY  26  -7.968   4.636   6.443
  177    HA3  GLY  26           HA2      GLY  26  -9.086   4.876   7.777
  178    H    GLU  27           H        GLU  27  -5.782   4.328   8.562
  179    HA   GLU  27           HA       GLU  27  -5.472   6.703   9.994
  180    HB2  GLU  27           HB2      GLU  27  -4.117   4.569  10.204
  181    HB3  GLU  27           HB3      GLU  27  -3.213   5.102   8.796
  182    HG2  GLU  27           HG2      GLU  27  -1.991   5.650  10.776
  183    HG3  GLU  27           HG3      GLU  27  -2.568   7.137  10.023
  184    H    ILE  28           H        ILE  28  -3.911   5.811   6.930
  185    HA   ILE  28           HA       ILE  28  -3.878   8.670   6.232
  186    HB   ILE  28           HB       ILE  28  -1.785   8.569   5.334
  187   HG12  ILE  28          2HG1      ILE  28  -2.390   6.795   3.673
  188   HG13  ILE  28          3HG1      ILE  28  -0.729   6.704   4.243
  189   HG21  ILE  28          2HG2      ILE  28  -0.266   7.178   6.676
  190   HG22  ILE  28          1HG2      ILE  28  -1.659   6.291   7.299
  191   HG23  ILE  28          3HG2      ILE  28  -1.476   8.011   7.653
  192   HD11  ILE  28          3HD1      ILE  28  -3.039   4.914   4.957
  193   HD12  ILE  28          2HD1      ILE  28  -1.496   4.895   5.821
  194   HD13  ILE  28          1HD1      ILE  28  -1.549   4.495   4.103
  195    H    GLY  29           H        GLY  29  -4.365   9.184   4.028
  196    HA2  GLY  29           HA1      GLY  29  -4.372   8.029   1.768
  197    HA3  GLY  29           HA2      GLY  29  -5.501   6.920   2.530
  198    H    SER  30           H        SER  30  -7.132   7.297   1.183
  199    HA   SER  30           HA       SER  30  -9.053   8.142   0.418
  200    HB2  SER  30           HB2      SER  30 -10.276   9.779   1.627
  201    HB3  SER  30           HB3      SER  30  -9.361   8.868   2.822
  202    HG   SER  30           HG       SER  30  -7.819  10.595   2.803
  203    H    THR  31           H        THR  31  -6.532  10.594   0.786
  204    HA   THR  31           HA       THR  31  -7.525  11.937  -1.625
  205    HB   THR  31           HB       THR  31  -5.760  13.682  -0.853
  206    HG1  THR  31           HG1      THR  31  -6.172  12.906   1.751
  207   HG21  THR  31          3HG2      THR  31  -8.230  13.179   0.813
  208   HG22  THR  31          1HG2      THR  31  -8.190  14.029  -0.733
  209   HG23  THR  31          2HG2      THR  31  -7.368  14.711   0.671
  210    H    TRP  32           H        TRP  32  -5.493   9.470  -1.103
  211    HA   TRP  32           HA       TRP  32  -3.173  10.505  -2.482
  212    HB2  TRP  32           HB2      TRP  32  -2.206   8.282  -2.218
  213    HB3  TRP  32           HB3      TRP  32  -2.848   8.875  -0.692
  214    HD1  TRP  32           HD1      TRP  32  -5.042   7.241  -3.364
  215    HE1  TRP  32           HE1      TRP  32  -5.989   5.070  -2.440
  216    HE3  TRP  32           HE3      TRP  32  -2.442   7.071   1.015
  217    HZ2  TRP  32           HZ2      TRP  32  -5.688   3.452  -0.125
  218    HZ3  TRP  32           HZ3      TRP  32  -2.828   5.163   2.533
  219    HH2  TRP  32           HH2      TRP  32  -4.413   3.398   1.975
  220    H    GLY  33           H        GLY  33  -6.136   9.397  -3.507
  221    HA2  GLY  33           HA1      GLY  33  -6.889   9.059  -5.684
  222    HA3  GLY  33           HA2      GLY  33  -5.220   9.204  -6.220
  223    H    ASN  34           H        ASN  34  -4.548   7.471  -7.224
  224    HA   ASN  34           HA       ASN  34  -5.217   4.870  -6.034
  225    HB2  ASN  34           HB2      ASN  34  -4.665   5.470  -8.950
  226    HB3  ASN  34           HB3      ASN  34  -4.861   3.859  -8.268
  227   HD21  ASN  34          1HD2      ASN  34  -6.434   6.756  -9.253
  228   HD22  ASN  34          2HD2      ASN  34  -8.061   6.174  -9.092
  229    H    ALA  35           H        ALA  35  -3.398   3.271  -7.244
  230    HA   ALA  35           HA       ALA  35  -1.341   3.595  -5.401
  231    HB1  ALA  35           HB1      ALA  35  -1.355   1.845  -7.846
  232    HB2  ALA  35           HB2      ALA  35  -0.319   1.660  -6.431
  233    HB3  ALA  35           HB3      ALA  35  -2.062   1.440  -6.281
  234    H    ASN  36           H        ASN  36  -1.172   4.091  -8.959
  235    HA   ASN  36           HA       ASN  36   1.611   4.783  -8.785
  236    HB2  ASN  36           HB2      ASN  36   1.517   5.182 -11.160
  237    HB3  ASN  36           HB3      ASN  36   0.605   3.720 -10.802
  238   HD21  ASN  36          1HD2      ASN  36   0.453   5.473 -13.099
  239   HD22  ASN  36          2HD2      ASN  36  -1.182   6.022 -13.185
  240    H    ASN  37           H        ASN  37  -1.060   6.471  -7.918
  241    HA   ASN  37           HA       ASN  37   0.078   9.082  -8.658
  242    HB2  ASN  37           HB2      ASN  37  -2.268   8.643  -9.337
  243    HB3  ASN  37           HB3      ASN  37  -2.695   8.367  -7.657
  244   HD21  ASN  37          1HD2      ASN  37  -3.130  10.065  -6.362
  245   HD22  ASN  37          2HD2      ASN  37  -3.149  11.717  -6.896
  246    H    TRP  38           H        TRP  38   0.309   6.909  -6.315
  247    HA   TRP  38           HA       TRP  38  -0.538   7.995  -3.926
  248    HB2  TRP  38           HB2      TRP  38   1.252   5.871  -4.754
  249    HB3  TRP  38           HB3      TRP  38   1.760   6.634  -3.241
  250    HD1  TRP  38           HD1      TRP  38  -1.836   5.822  -4.464
  251    HE1  TRP  38           HE1      TRP  38  -2.961   4.434  -2.639
  252    HE3  TRP  38           HE3      TRP  38   2.116   5.388  -1.280
  253    HZ2  TRP  38           HZ2      TRP  38  -2.239   3.291  -0.105
  254    HZ3  TRP  38           HZ3      TRP  38   1.834   4.141   0.809
  255    HH2  TRP  38           HH2      TRP  38  -0.285   3.110   1.380
  256    H    ALA  39           H        ALA  39   2.899   7.941  -4.882
  257    HA   ALA  39           HA       ALA  39   3.827   9.397  -2.742
  258    HB1  ALA  39           HB1      ALA  39   4.984   9.351  -5.526
  259    HB2  ALA  39           HB2      ALA  39   5.840   9.820  -4.056
  260    HB3  ALA  39           HB3      ALA  39   5.280   8.160  -4.258
  261    H    ALA  40           H        ALA  40   2.589  10.619  -5.802
  262    HA   ALA  40           HA       ALA  40   3.270  13.338  -5.325
  263    HB1  ALA  40           HB1      ALA  40   1.846  13.814  -7.232
  264    HB2  ALA  40           HB2      ALA  40   2.886  12.429  -7.564
  265    HB3  ALA  40           HB3      ALA  40   1.187  12.179  -7.165
  266    H    ALA  41           H        ALA  41   0.241  11.496  -5.010
  267    HA   ALA  41           HA       ALA  41  -1.307  13.705  -4.117
  268    HB1  ALA  41           HB1      ALA  41  -2.286  11.728  -5.190
  269    HB2  ALA  41           HB2      ALA  41  -1.851  10.753  -3.786
  270    HB3  ALA  41           HB3      ALA  41  -3.024  12.061  -3.625
  271    H    ALA  42           H        ALA  42   0.384  11.088  -2.460
  272    HA   ALA  42           HA       ALA  42  -0.548  11.475   0.133
  273    HB1  ALA  42           HB1      ALA  42   0.782   9.554  -0.478
  274    HB2  ALA  42           HB2      ALA  42   2.180  10.583  -0.802
  275    HB3  ALA  42           HB3      ALA  42   1.570  10.417   0.844
  276    H    GLN  43           H        GLN  43   2.111  13.092  -1.592
  277    HA   GLN  43           HA       GLN  43   3.006  14.622   0.625
  278    HB2  GLN  43           HB2      GLN  43   3.324  15.089  -2.345
  279    HB3  GLN  43           HB3      GLN  43   4.150  16.019  -1.101
  280    HG2  GLN  43           HG2      GLN  43   5.183  13.907  -0.297
  281    HG3  GLN  43           HG3      GLN  43   4.453  13.079  -1.676
  282   HE21  GLN  43          1HE2      GLN  43   6.861  15.340  -0.629
  283   HE22  GLN  43          2HE2      GLN  43   7.751  15.404  -2.114
  284    H    GLY  44           H        GLY  44   0.686  15.235  -1.972
  285    HA2  GLY  44           HA1      GLY  44   0.152  17.938  -1.252
  286    HA3  GLY  44           HA2      GLY  44  -0.867  16.912  -2.253
  287    H    ALA  45           H        ALA  45  -1.153  14.845  -0.263
  288    HA   ALA  45           HA       ALA  45  -3.345  15.862   1.230
  289    HB1  ALA  45           HB1      ALA  45  -1.863  13.254   1.541
  290    HB2  ALA  45           HB2      ALA  45  -3.454  13.635   2.203
  291    HB3  ALA  45           HB3      ALA  45  -3.225  13.542   0.458
  292    H    GLY  46           H        GLY  46   0.032  15.247   1.941
  293    HA2  GLY  46           HA1      GLY  46   1.027  16.753   3.599
  294    HA3  GLY  46           HA2      GLY  46  -0.404  16.491   4.581
  295    H    PHE  47           H        PHE  47   1.002  13.792   2.904
  296    HA   PHE  47           HA       PHE  47   1.730  12.618   5.476
  297    HB2  PHE  47           HB2      PHE  47   1.964  11.341   2.743
  298    HB3  PHE  47           HB3      PHE  47   1.994  10.530   4.300
  299    HD1  PHE  47           HD1      PHE  47  -0.481  12.520   5.129
  300    HD2  PHE  47           HD2      PHE  47   0.312   9.623   2.118
  301    HE1  PHE  47           HE1      PHE  47  -2.895  12.086   4.908
  302    HE2  PHE  47           HE2      PHE  47  -2.093   9.172   1.888
  303    HZ   PHE  47           HZ       PHE  47  -3.700  10.420   3.280
  304    H    THR  48           H        THR  48   3.823  11.832   5.921
  305    HA   THR  48           HA       THR  48   5.973  13.242   4.602
  306    HB   THR  48           HB       THR  48   6.229  11.124   6.749
  307    HG1  THR  48           HG1      THR  48   5.054  12.549   7.866
  308   HG21  THR  48          3HG2      THR  48   8.307  11.793   5.624
  309   HG22  THR  48          1HG2      THR  48   8.284  12.337   7.302
  310   HG23  THR  48          2HG2      THR  48   7.966  13.483   5.998
  311    H    VAL  49           H        VAL  49   6.703  12.482   2.727
  312    HA   VAL  49           HA       VAL  49   6.358   9.668   2.080
  313    HB   VAL  49           HB       VAL  49   7.036  12.094   0.437
  314   HG11  VAL  49          2HG1      VAL  49   8.464  10.274  -0.387
  315   HG12  VAL  49          1HG1      VAL  49   7.191  10.666  -1.541
  316   HG13  VAL  49          3HG1      VAL  49   7.050   9.227  -0.531
  317   HG21  VAL  49          3HG2      VAL  49   4.983  11.432  -0.743
  318   HG22  VAL  49          2HG2      VAL  49   4.702  11.721   0.975
  319   HG23  VAL  49          1HG2      VAL  49   4.805  10.071   0.366
  320    H    ASN  50           H        ASN  50   7.873   8.252   2.386
  321    HA   ASN  50           HA       ASN  50  10.684   9.018   2.109
  322    HB2  ASN  50           HB2      ASN  50   9.538   6.914   3.979
  323    HB3  ASN  50           HB3      ASN  50  11.231   7.335   3.815
  324   HD21  ASN  50          1HD2      ASN  50  11.324   7.660   6.023
  325   HD22  ASN  50          2HD2      ASN  50  10.687   9.091   6.755
  326    H    HIS  51           H        HIS  51  11.586   6.379   2.252
  327    HA   HIS  51           HA       HIS  51   9.984   4.712   0.594
  328    HB2  HIS  51           HB2      HIS  51  11.657   4.466  -1.243
  329    HB3  HIS  51           HB3      HIS  51  10.919   6.057  -1.175
  330    HD1  HIS  51           HD1      HIS  51  14.118   4.447  -1.496
  331    HD2  HIS  51           HD2      HIS  51  12.748   8.022   0.132
  332    HE1  HIS  51           HE1      HIS  51  16.139   5.926  -1.309
  333    HE2  HIS  51           HE2      HIS  51  15.264   8.133  -0.480
  334    H    THR  52           H        THR  52  10.330   3.795   2.757
  335    HA   THR  52           HA       THR  52  12.257   1.664   2.595
  336    HB   THR  52           HB       THR  52  12.327   3.520   4.998
  337    HG1  THR  52           HG1      THR  52  13.818   3.415   2.648
  338   HG21  THR  52          3HG2      THR  52  14.232   2.141   5.704
  339   HG22  THR  52          1HG2      THR  52  13.999   1.097   4.299
  340   HG23  THR  52          2HG2      THR  52  12.763   1.179   5.554
  341    HA   PRO  53           HA       PRO  53   8.107   0.467   4.135
  342    HB2  PRO  53           HB2      PRO  53   8.485  -2.201   3.565
  343    HB3  PRO  53           HB3      PRO  53   7.852  -1.011   2.422
  344    HG2  PRO  53           HG2      PRO  53  10.645  -2.051   2.720
  345    HG3  PRO  53           HG3      PRO  53   9.709  -1.762   1.240
  346    HD2  PRO  53           HD2      PRO  53  11.570  -0.029   2.043
  347    HD3  PRO  53           HD3      PRO  53  10.039   0.531   1.330
  348    H    SER  54           H        SER  54   7.384  -0.627   5.920
  349    HA   SER  54           HA       SER  54   8.969  -2.334   7.536
  350    HB2  SER  54           HB2      SER  54  10.054  -0.153   8.078
  351    HB3  SER  54           HB3      SER  54   8.488   0.481   8.578
  352    HG   SER  54           HG       SER  54   9.106  -0.248  10.457
  353    H    LYS  55           H        LYS  55   7.683  -2.554   9.773
  354    HA   LYS  55           HA       LYS  55   5.075  -3.327   9.055
  355    HB2  LYS  55           HB2      LYS  55   6.256  -4.399  10.894
  356    HB3  LYS  55           HB3      LYS  55   6.286  -2.890  11.795
  357    HG2  LYS  55           HG2      LYS  55   3.892  -2.936  12.044
  358    HG3  LYS  55           HG3      LYS  55   3.780  -4.369  11.021
  359    HD2  LYS  55           HD2      LYS  55   5.089  -5.633  12.662
  360    HD3  LYS  55           HD3      LYS  55   5.186  -4.197  13.683
  361    HE2  LYS  55           HE2      LYS  55   3.444  -5.682  14.484
  362    HE3  LYS  55           HE3      LYS  55   2.744  -4.181  13.879
  363    HZ1  LYS  55           HZ1      LYS  55   2.826  -6.783  12.440
  364    HZ2  LYS  55           HZ2      LYS  55   2.209  -5.337  11.800
  365    HZ3  LYS  55           HZ3      LYS  55   1.460  -6.057  13.138
  366    H    GLY  56           H        GLY  56   3.311  -2.129   8.777
  367    HA2  GLY  56           HA1      GLY  56   1.691  -0.533   9.421
  368    HA3  GLY  56           HA2      GLY  56   2.901   0.254  10.428
  369    H    ALA  57           H        ALA  57   4.154  -0.521   7.428
  370    HA   ALA  57           HA       ALA  57   3.667   2.212   6.444
  371    HB1  ALA  57           HB1      ALA  57   5.797   2.034   5.265
  372    HB2  ALA  57           HB2      ALA  57   6.003   1.801   7.005
  373    HB3  ALA  57           HB3      ALA  57   6.025   0.409   5.921
  374    H    ILE  58           H        ILE  58   4.559   1.908   3.846
  375    HA   ILE  58           HA       ILE  58   2.825  -0.173   2.727
  376    HB   ILE  58           HB       ILE  58   2.822   2.359   1.244
  377   HG12  ILE  58          2HG1      ILE  58   2.544   2.960   3.743
  378   HG13  ILE  58          3HG1      ILE  58   1.348   3.549   2.606
  379   HG21  ILE  58          2HG2      ILE  58   0.474   1.696   0.901
  380   HG22  ILE  58          1HG2      ILE  58   0.718   0.334   1.993
  381   HG23  ILE  58          3HG2      ILE  58   1.607   0.416   0.474
  382   HD11  ILE  58          3HD1      ILE  58   1.023   1.162   4.396
  383   HD12  ILE  58          2HD1      ILE  58  -0.187   1.798   3.282
  384   HD13  ILE  58          1HD1      ILE  58   0.331   2.761   4.665
  385    H    LEU  59           H        LEU  59   3.105   0.232   0.108
  386    HA   LEU  59           HA       LEU  59   5.956   0.532  -0.506
  387    HB2  LEU  59           HB2      LEU  59   5.129  -1.914  -0.220
  388    HB3  LEU  59           HB3      LEU  59   4.290  -1.651  -1.734
  389    HG   LEU  59           HG       LEU  59   6.628  -0.947  -2.605
  390   HD11  LEU  59          2HD1      LEU  59   7.721  -0.905  -0.433
  391   HD12  LEU  59          1HD1      LEU  59   8.472  -2.095  -1.498
  392   HD13  LEU  59          3HD1      LEU  59   7.376  -2.622  -0.221
  393   HD21  LEU  59          3HD2      LEU  59   5.392  -2.883  -3.390
  394   HD22  LEU  59          2HD2      LEU  59   5.941  -3.813  -1.997
  395   HD23  LEU  59          1HD2      LEU  59   7.103  -3.270  -3.208
  396    H    GLN  60           H        GLN  60   6.266   0.874  -2.900
  397    HA   GLN  60           HA       GLN  60   3.934   1.597  -4.432
  398    HB2  GLN  60           HB2      GLN  60   3.876   3.670  -3.511
  399    HB3  GLN  60           HB3      GLN  60   5.552   3.608  -2.998
  400    HG2  GLN  60           HG2      GLN  60   5.309   5.363  -4.571
  401    HG3  GLN  60           HG3      GLN  60   6.236   4.075  -5.339
  402   HE21  GLN  60          1HE2      GLN  60   2.790   3.949  -4.886
  403   HE22  GLN  60          2HE2      GLN  60   2.360   4.133  -6.546
  404    H    SER  61           H        SER  61   4.231   1.162  -6.415
  405    HA   SER  61           HA       SER  61   6.770   1.786  -7.718
  406    HB2  SER  61           HB2      SER  61   6.786  -0.645  -7.258
  407    HB3  SER  61           HB3      SER  61   5.237  -0.803  -8.085
  408    HG   SER  61           HG       SER  61   7.494   0.307  -9.381
  409    H    SER  62           H        SER  62   6.501   2.366  -9.930
  410    HA   SER  62           HA       SER  62   3.700   2.937 -10.657
  411    HB2  SER  62           HB2      SER  62   6.220   4.412 -11.458
  412    HB3  SER  62           HB3      SER  62   4.581   4.840 -11.951
  413    HG   SER  62           HG       SER  62   4.923   4.564  -9.224
  414    H    GLU  63           H        GLU  63   5.299   0.491 -11.186
  415    HA   GLU  63           HA       GLU  63   5.841   0.573 -14.034
  416    HB2  GLU  63           HB2      GLU  63   5.881  -1.813 -12.180
  417    HB3  GLU  63           HB3      GLU  63   6.599  -1.707 -13.780
  418    HG2  GLU  63           HG2      GLU  63   7.469  -0.253 -11.298
  419    HG3  GLU  63           HG3      GLU  63   8.323  -1.547 -12.135
  420    H    GLY  64           H        GLY  64   3.091   1.040 -13.185
  421    HA2  GLY  64           HA1      GLY  64   1.782  -0.917 -14.852
  422    HA3  GLY  64           HA2      GLY  64   1.319  -1.005 -13.158
  423    HA   PRO  65           HA       PRO  65  -1.033   2.311 -15.712
  424    HB2  PRO  65           HB2      PRO  65  -3.481   1.080 -15.703
  425    HB3  PRO  65           HB3      PRO  65  -2.305   0.934 -17.013
  426    HG2  PRO  65           HG2      PRO  65  -2.891  -0.953 -14.773
  427    HG3  PRO  65           HG3      PRO  65  -2.545  -1.303 -16.477
  428    HD2  PRO  65           HD2      PRO  65  -0.687  -1.589 -14.532
  429    HD3  PRO  65           HD3      PRO  65  -0.265  -1.102 -16.185
  430    H    PHE  66           H        PHE  66  -2.263   0.284 -13.058
  431    HA   PHE  66           HA       PHE  66  -3.528   2.602 -11.835
  432    HB2  PHE  66           HB2      PHE  66  -3.463  -0.316 -11.053
  433    HB3  PHE  66           HB3      PHE  66  -4.228   0.929 -10.074
  434    HD1  PHE  66           HD2      PHE  66  -6.134   2.241 -11.071
  435    HD2  PHE  66           HD1      PHE  66  -4.587  -1.304 -12.845
  436    HE1  PHE  66           HE2      PHE  66  -8.213   1.983 -12.362
  437    HE2  PHE  66           HE1      PHE  66  -6.664  -1.572 -14.133
  438    HZ   PHE  66           HZ       PHE  66  -8.480   0.071 -13.892
  439    H    GLY  67           H        GLY  67  -0.611   0.864 -11.712
  440    HA2  GLY  67           HA1      GLY  67   1.310   1.554 -10.528
  441    HA3  GLY  67           HA2      GLY  67   0.272   2.402  -9.388
  442    H    HIS  68           H        HIS  68   2.085   1.062  -8.132
  443    HA   HIS  68           HA       HIS  68   0.745  -1.410  -7.239
  444    HB2  HIS  68           HB2      HIS  68   2.810  -1.829  -8.680
  445    HB3  HIS  68           HB3      HIS  68   3.738  -1.072  -7.378
  446    HD1  HIS  68           HD1      HIS  68   4.874  -3.605  -7.447
  447    HD2  HIS  68           HD2      HIS  68   1.033  -3.248  -5.868
  448    HE1  HIS  68           HE1      HIS  68   4.494  -5.685  -6.081
  449    HE2  HIS  68           HE2      HIS  68   2.186  -5.429  -5.089
  450    H    VAL  69           H        VAL  69  -0.096  -0.338  -5.352
  451    HA   VAL  69           HA       VAL  69   2.058   0.116  -3.408
  452    HB   VAL  69           HB       VAL  69   0.513   1.440  -2.059
  453   HG11  VAL  69          2HG1      VAL  69   1.962   2.560  -3.650
  454   HG12  VAL  69          1HG1      VAL  69   0.415   3.401  -3.537
  455   HG13  VAL  69          3HG1      VAL  69   0.752   2.361  -4.920
  456   HG21  VAL  69          3HG2      VAL  69  -1.644   2.161  -2.944
  457   HG22  VAL  69          2HG2      VAL  69  -1.599   0.408  -2.754
  458   HG23  VAL  69          1HG2      VAL  69  -1.424   1.128  -4.355
  459    H    ALA  70           H        ALA  70   2.183  -1.163  -1.701
  460    HA   ALA  70           HA       ALA  70  -0.060  -2.947  -1.078
  461    HB1  ALA  70           HB1      ALA  70   2.806  -3.831  -1.419
  462    HB2  ALA  70           HB2      ALA  70   1.471  -4.844  -0.866
  463    HB3  ALA  70           HB3      ALA  70   1.470  -4.202  -2.510
  464    H    TYR  71           H        TYR  71  -0.319  -3.341   1.069
  465    HA   TYR  71           HA       TYR  71   1.005  -1.495   2.821
  466    HB2  TYR  71           HB2      TYR  71  -1.294  -1.710   3.221
  467    HB3  TYR  71           HB3      TYR  71  -1.238  -3.471   3.131
  468    HD1  TYR  71           HD2      TYR  71  -0.281  -0.567   5.240
  469    HD2  TYR  71           HD1      TYR  71  -0.904  -4.775   5.043
  470    HE1  TYR  71           HE2      TYR  71  -0.103  -0.701   7.691
  471    HE2  TYR  71           HE1      TYR  71  -0.728  -4.915   7.497
  472    HH   TYR  71           HH       TYR  71  -0.710  -2.124   9.514
  473    H    VAL  72           H        VAL  72   2.471  -1.896   4.374
  474    HA   VAL  72           HA       VAL  72   3.813  -4.494   4.247
  475    HB   VAL  72           HB       VAL  72   4.777  -2.086   5.771
  476   HG11  VAL  72          2HG1      VAL  72   6.125  -4.508   4.597
  477   HG12  VAL  72          1HG1      VAL  72   5.958  -4.075   6.304
  478   HG13  VAL  72          3HG1      VAL  72   6.997  -3.118   5.245
  479   HG21  VAL  72          3HG2      VAL  72   5.233  -2.660   2.843
  480   HG22  VAL  72          2HG2      VAL  72   6.076  -1.429   3.786
  481   HG23  VAL  72          1HG2      VAL  72   4.336  -1.295   3.521
  482    H    GLU  73           H        GLU  73   3.566  -5.973   5.829
  483    HA   GLU  73           HA       GLU  73   2.095  -5.130   8.218
  484    HB2  GLU  73           HB2      GLU  73   2.588  -7.893   7.097
  485    HB3  GLU  73           HB3      GLU  73   1.685  -7.555   8.568
  486    HG2  GLU  73           HG2      GLU  73   0.179  -6.112   7.114
  487    HG3  GLU  73           HG3      GLU  73   0.968  -6.884   5.740
  488    H    SER  74           H        SER  74   5.223  -6.113   7.233
  489    HA   SER  74           HA       SER  74   6.333  -5.761   9.797
  490    HB2  SER  74           HB2      SER  74   7.101  -8.173  10.098
  491    HB3  SER  74           HB3      SER  74   5.399  -7.852  10.436
  492    HG   SER  74           HG       SER  74   4.821  -8.950   8.696
  493    H    VAL  75           H        VAL  75   8.609  -6.018   9.845
  494    HA   VAL  75           HA       VAL  75   9.861  -6.386   7.204
  495    HB   VAL  75           HB       VAL  75  10.299  -4.171   8.176
  496   HG11  VAL  75          2HG1      VAL  75  11.662  -3.934  10.205
  497   HG12  VAL  75          1HG1      VAL  75  11.561  -5.676  10.466
  498   HG13  VAL  75          3HG1      VAL  75  10.102  -4.687  10.537
  499   HG21  VAL  75          3HG2      VAL  75  12.761  -4.209   8.044
  500   HG22  VAL  75          2HG2      VAL  75  12.006  -5.147   6.754
  501   HG23  VAL  75          1HG2      VAL  75  12.722  -5.969   8.138
  502    H    ASN  76           H        ASN  76  11.503  -7.879   6.987
  503    HA   ASN  76           HA       ASN  76  11.379  -9.997   8.964
  504    HB2  ASN  76           HB2      ASN  76  12.697  -9.911   6.242
  505    HB3  ASN  76           HB3      ASN  76  12.547 -11.343   7.257
  506   HD21  ASN  76          1HD2      ASN  76  11.524 -10.763   4.561
  507   HD22  ASN  76          2HD2      ASN  76   9.814 -11.030   4.656
  508    H    SER  77           H        SER  77  13.552 -11.273   9.154
  509    HA   SER  77           HA       SER  77  15.259  -9.551  10.667
  510    HB2  SER  77           HB2      SER  77  14.642 -11.903  11.286
  511    HB3  SER  77           HB3      SER  77  15.667 -12.465   9.969
  512    HG   SER  77           HG       SER  77  17.225 -10.903  11.259
  513    H    ASP  78           H        ASP  78  15.406 -11.006   7.489
  514    HA   ASP  78           HA       ASP  78  18.234 -10.630   7.148
  515    HB2  ASP  78           HB2      ASP  78  17.895 -11.358   4.875
  516    HB3  ASP  78           HB3      ASP  78  16.900 -12.364   5.922
  517    H    GLY  79           H        GLY  79  15.423  -8.667   6.721
  518    HA2  GLY  79           HA1      GLY  79  16.001  -6.231   6.598
  519    HA3  GLY  79           HA2      GLY  79  17.054  -6.680   5.264
  520    H    SER  80           H        SER  80  14.876  -8.705   4.507
  521    HA   SER  80           HA       SER  80  13.474  -7.011   2.690
  522    HB2  SER  80           HB2      SER  80  12.342  -9.068   1.974
  523    HB3  SER  80           HB3      SER  80  14.079  -9.337   2.115
  524    HG   SER  80           HG       SER  80  13.772 -10.499   3.953
  525    H    VAL  81           H        VAL  81  11.091  -6.889   2.567
  526    HA   VAL  81           HA       VAL  81   9.904  -6.953   5.262
  527    HB   VAL  81           HB       VAL  81   8.419  -5.119   4.587
  528   HG11  VAL  81          2HG1      VAL  81  11.342  -4.488   4.200
  529   HG12  VAL  81          1HG1      VAL  81  10.497  -4.600   5.744
  530   HG13  VAL  81          3HG1      VAL  81  10.078  -3.325   4.602
  531   HG21  VAL  81          3HG2      VAL  81  10.056  -5.047   2.053
  532   HG22  VAL  81          2HG2      VAL  81   8.842  -3.861   2.532
  533   HG23  VAL  81          1HG2      VAL  81   8.363  -5.522   2.184
  534    H    THR  82           H        THR  82   7.852  -7.734   5.517
  535    HA   THR  82           HA       THR  82   6.823  -9.349   3.308
  536    HB   THR  82           HB       THR  82   6.062  -9.340   6.242
  537    HG1  THR  82           HG1      THR  82   7.966 -10.357   6.227
  538   HG21  THR  82          3HG2      THR  82   4.210 -10.064   4.792
  539   HG22  THR  82          1HG2      THR  82   4.852 -11.404   5.742
  540   HG23  THR  82          2HG2      THR  82   5.272 -11.252   4.036
  541    H    ILE  83           H        ILE  83   5.468  -8.285   2.028
  542    HA   ILE  83           HA       ILE  83   3.655  -6.297   3.217
  543    HB   ILE  83           HB       ILE  83   3.374  -5.396   0.953
  544   HG12  ILE  83          2HG1      ILE  83   5.470  -7.415   0.116
  545   HG13  ILE  83          3HG1      ILE  83   3.754  -7.557  -0.246
  546   HG21  ILE  83          2HG2      ILE  83   6.261  -5.688   1.773
  547   HG22  ILE  83          1HG2      ILE  83   5.124  -4.472   2.357
  548   HG23  ILE  83          3HG2      ILE  83   5.629  -4.469   0.668
  549   HD11  ILE  83          3HD1      ILE  83   3.850  -5.530  -1.573
  550   HD12  ILE  83          2HD1      ILE  83   5.028  -6.712  -2.144
  551   HD13  ILE  83          1HD1      ILE  83   5.558  -5.337  -1.174
  552    H    SER  84           H        SER  84   1.466  -6.218   2.477
  553    HA   SER  84           HA       SER  84   0.551  -8.552   0.982
  554    HB2  SER  84           HB2      SER  84  -1.489  -8.624   2.487
  555    HB3  SER  84           HB3      SER  84   0.013  -9.197   3.206
  556    HG   SER  84           HG       SER  84  -0.269  -7.757   4.681
  557    H    GLU  85           H        GLU  85  -0.917  -8.142  -0.478
  558    HA   GLU  85           HA       GLU  85  -2.323  -5.579  -0.512
  559    HB2  GLU  85           HB2      GLU  85  -1.901  -5.402  -2.950
  560    HB3  GLU  85           HB3      GLU  85  -0.411  -5.319  -2.017
  561    HG2  GLU  85           HG2      GLU  85  -0.074  -7.741  -2.483
  562    HG3  GLU  85           HG3      GLU  85  -1.468  -7.674  -3.558
  563    H    MET  86           H        MET  86  -4.048  -5.796  -2.438
  564    HA   MET  86           HA       MET  86  -4.968  -8.539  -2.686
  565    HB2  MET  86           HB2      MET  86  -5.934  -7.608  -0.546
  566    HB3  MET  86           HB3      MET  86  -6.794  -6.432  -1.529
  567    HG2  MET  86           HG2      MET  86  -8.238  -7.972  -2.382
  568    HG3  MET  86           HG3      MET  86  -7.099  -9.305  -2.207
  569    HE1  MET  86           HE1      MET  86  -7.868  -6.748   0.662
  570    HE2  MET  86           HE2      MET  86  -9.406  -6.801  -0.201
  571    HE3  MET  86           HE3      MET  86  -9.281  -7.474   1.424
  572    H    ASN  87           H        ASN  87  -5.832  -8.903  -4.599
  573    HA   ASN  87           HA       ASN  87  -6.810  -8.639  -6.629
  574    HB2  ASN  87           HB2      ASN  87  -8.539  -7.272  -5.540
  575    HB3  ASN  87           HB3      ASN  87  -7.527  -5.844  -5.714
  576   HD21  ASN  87          1HD2      ASN  87  -7.210  -4.970  -7.801
  577   HD22  ASN  87          2HD2      ASN  87  -8.282  -5.347  -9.109
  578    H    TYR  88           H        TYR  88  -5.190  -5.611  -5.702
  579    HA   TYR  88           HA       TYR  88  -3.570  -4.372  -6.692
  580    HB2  TYR  88           HB2      TYR  88  -2.264  -6.429  -6.793
  581    HB3  TYR  88           HB3      TYR  88  -3.076  -6.906  -8.277
  582    HD1  TYR  88           HD2      TYR  88  -1.421  -3.744  -7.161
  583    HD2  TYR  88           HD1      TYR  88  -1.600  -6.870 -10.041
  584    HE1  TYR  88           HE2      TYR  88   0.345  -2.643  -8.463
  585    HE2  TYR  88           HE1      TYR  88   0.170  -5.774 -11.351
  586    HH   TYR  88           HH       TYR  88   1.142  -3.575 -11.647
  587    H    SER  89           H        SER  89  -4.298  -6.240  -9.579
  588    HA   SER  89           HA       SER  89  -6.235  -4.380 -10.575
  589    HB2  SER  89           HB2      SER  89  -4.912  -3.737 -12.591
  590    HB3  SER  89           HB3      SER  89  -4.241  -3.082 -11.098
  591    HG   SER  89           HG       SER  89  -3.277  -5.164 -12.729
  592    H    GLY  90           H        GLY  90  -5.739  -7.267 -10.018
  593    HA2  GLY  90           HA1      GLY  90  -6.299  -8.310 -12.717
  594    HA3  GLY  90           HA2      GLY  90  -5.094  -9.089 -11.704
  595    H    GLY  91           H        GLY  91  -5.740 -10.369  -9.974
  596    HA2  GLY  91           HA1      GLY  91  -8.398 -11.477 -10.343
  597    HA3  GLY  91           HA2      GLY  91  -7.122 -12.132  -9.327
  598    HA   PRO  92           HA       PRO  92 -10.212  -8.924  -7.173
  599    HB2  PRO  92           HB2      PRO  92 -12.287 -11.048  -7.282
  600    HB3  PRO  92           HB3      PRO  92 -12.456  -9.295  -7.435
  601    HG2  PRO  92           HG2      PRO  92 -12.650 -10.878  -9.572
  602    HG3  PRO  92           HG3      PRO  92 -11.850  -9.298  -9.672
  603    HD2  PRO  92           HD2      PRO  92 -10.646 -12.031  -9.535
  604    HD3  PRO  92           HD3      PRO  92 -10.125 -10.613 -10.469
  605    H    PHE  93           H        PHE  93  -9.544  -8.994  -5.170
  606    HA   PHE  93           HA       PHE  93  -9.272  -9.576  -3.018
  607    HB2  PHE  93           HB2      PHE  93 -11.066 -11.898  -3.714
  608    HB3  PHE  93           HB3      PHE  93 -10.497 -11.517  -2.088
  609    HD1  PHE  93           HD2      PHE  93 -11.250  -9.466  -0.969
  610    HD2  PHE  93           HD1      PHE  93 -12.840 -10.674  -4.725
  611    HE1  PHE  93           HE2      PHE  93 -13.149  -7.939  -0.651
  612    HE2  PHE  93           HE1      PHE  93 -14.746  -9.150  -4.415
  613    HZ   PHE  93           HZ       PHE  93 -14.900  -7.778  -2.373
  614    H    SER  94           H        SER  94  -7.706 -10.892  -5.396
  615    HA   SER  94           HA       SER  94  -6.447 -13.093  -4.099
  616    HB2  SER  94           HB2      SER  94  -5.444 -11.239  -6.276
  617    HB3  SER  94           HB3      SER  94  -4.565 -12.663  -5.705
  618    HG   SER  94           HG       SER  94  -6.555 -12.516  -7.498
  619    H    VAL  95           H        VAL  95  -5.967 -12.540  -2.007
  620    HA   VAL  95           HA       VAL  95  -4.521 -10.231  -1.277
  621    HB   VAL  95           HB       VAL  95  -4.545 -12.887   0.172
  622   HG11  VAL  95          2HG1      VAL  95  -2.777 -11.422   0.951
  623   HG12  VAL  95          1HG1      VAL  95  -4.053 -11.520   2.164
  624   HG13  VAL  95          3HG1      VAL  95  -3.925 -10.095   1.133
  625   HG21  VAL  95          3HG2      VAL  95  -6.817 -12.072  -0.211
  626   HG22  VAL  95          2HG2      VAL  95  -6.384 -10.511   0.489
  627   HG23  VAL  95          1HG2      VAL  95  -6.384 -11.962   1.494
  628    H    SER  96           H        SER  96  -2.802  -9.980  -2.685
  629    HA   SER  96           HA       SER  96  -1.090 -12.174  -3.361
  630    HB2  SER  96           HB2      SER  96  -1.687 -10.351  -4.962
  631    HB3  SER  96           HB3      SER  96  -0.729  -9.235  -3.990
  632    HG   SER  96           HG       SER  96   0.986  -9.963  -4.936
  633    H    SER  97           H        SER  97   0.352 -12.902  -2.037
  634    HA   SER  97           HA       SER  97   1.632 -11.153  -0.085
  635    HB2  SER  97           HB2      SER  97   2.645 -13.459   0.607
  636    HB3  SER  97           HB3      SER  97   0.943 -13.136   0.940
  637    HG   SER  97           HG       SER  97   2.073 -14.707  -1.132
  638    H    ARG  98           H        ARG  98   3.579 -10.282  -0.425
  639    HA   ARG  98           HA       ARG  98   5.444 -11.653  -2.244
  640    HB2  ARG  98           HB2      ARG  98   5.182  -8.653  -2.222
  641    HB3  ARG  98           HB3      ARG  98   6.046  -9.659  -3.374
  642    HG2  ARG  98           HG2      ARG  98   3.848 -10.543  -4.137
  643    HG3  ARG  98           HG3      ARG  98   3.069  -9.355  -3.089
  644    HD2  ARG  98           HD2      ARG  98   4.526  -7.631  -4.318
  645    HD3  ARG  98           HD3      ARG  98   4.766  -8.899  -5.519
  646    HE   ARG  98           HE       ARG  98   2.197  -7.629  -4.831
  647   HH11  ARG  98          2HH1      ARG  98   4.150  -9.585  -6.996
  648   HH12  ARG  98          1HH1      ARG  98   2.992  -9.534  -8.291
  649   HH21  ARG  98          2HH2      ARG  98   0.681  -7.540  -6.517
  650   HH22  ARG  98          1HH2      ARG  98   1.008  -8.364  -8.022
  651    H    THR  99           H        THR  99   7.659 -11.199  -1.844
  652    HA   THR  99           HA       THR  99   8.200  -9.947   0.767
  653    HB   THR  99           HB       THR  99   9.914 -11.969  -0.696
  654    HG1  THR  99           HG1      THR  99   9.014 -12.948   1.591
  655   HG21  THR  99          3HG2      THR  99  10.095 -10.829   2.094
  656   HG22  THR  99          1HG2      THR  99  11.195 -10.493   0.757
  657   HG23  THR  99          2HG2      THR  99  11.116 -12.114   1.447
  658    H    ILE 100           H        ILE 100   9.114  -7.996   0.603
  659    HA   ILE 100           HA       ILE 100  10.480  -7.278  -1.893
  660    HB   ILE 100           HB       ILE 100   9.676  -5.512   0.429
  661   HG12  ILE 100          2HG1      ILE 100   7.710  -6.363  -0.715
  662   HG13  ILE 100          3HG1      ILE 100   7.933  -4.653  -1.092
  663   HG21  ILE 100          2HG2      ILE 100  11.587  -4.622  -0.779
  664   HG22  ILE 100          1HG2      ILE 100  10.150  -3.647  -1.086
  665   HG23  ILE 100          3HG2      ILE 100  10.719  -4.785  -2.306
  666   HD11  ILE 100          3HD1      ILE 100   7.270  -5.900  -3.060
  667   HD12  ILE 100          2HD1      ILE 100   8.653  -6.979  -2.871
  668   HD13  ILE 100          1HD1      ILE 100   8.908  -5.275  -3.252
  669    H    SER 101           H        SER 101  12.601  -7.772  -1.876
  670    HA   SER 101           HA       SER 101  14.172  -8.003   0.468
  671    HB2  SER 101           HB2      SER 101  14.803  -9.135  -1.611
  672    HB3  SER 101           HB3      SER 101  14.996  -7.583  -2.425
  673    HG   SER 101           HG       SER 101  16.500  -8.398  -0.150
  674    H    ALA 102           H        ALA 102  15.804  -6.572   1.267
  675    HA   ALA 102           HA       ALA 102  15.241  -3.882   1.458
  676    HB1  ALA 102           HB1      ALA 102  16.827  -5.048   2.910
  677    HB2  ALA 102           HB2      ALA 102  17.974  -5.151   1.574
  678    HB3  ALA 102           HB3      ALA 102  17.530  -3.578   2.235
  679    H    SER 103           H        SER 103  16.939  -5.590  -1.045
  680    HA   SER 103           HA       SER 103  18.210  -3.546  -2.413
  681    HB2  SER 103           HB2      SER 103  16.784  -5.746  -3.877
  682    HB3  SER 103           HB3      SER 103  18.382  -5.063  -4.178
  683    HG   SER 103           HG       SER 103  17.603  -7.081  -2.449
  684    H    GLU 104           H        GLU 104  14.890  -4.790  -2.890
  685    HA   GLU 104           HA       GLU 104  14.248  -2.626  -4.699
  686    HB2  GLU 104           HB2      GLU 104  12.415  -4.700  -3.481
  687    HB3  GLU 104           HB3      GLU 104  12.009  -3.606  -4.792
  688    HG2  GLU 104           HG2      GLU 104  12.436  -5.568  -5.897
  689    HG3  GLU 104           HG3      GLU 104  13.983  -4.730  -6.019
  690    H    ALA 105           H        ALA 105  13.919  -3.361  -1.342
  691    HA   ALA 105           HA       ALA 105  11.766  -1.723  -0.647
  692    HB1  ALA 105           HB1      ALA 105  12.615  -1.813   1.617
  693    HB2  ALA 105           HB2      ALA 105  12.790  -3.390   0.849
  694    HB3  ALA 105           HB3      ALA 105  14.194  -2.339   1.033
  695    H    GLY 106           H        GLY 106  15.166  -0.955  -1.147
  696    HA2  GLY 106           HA1      GLY 106  14.963   1.745  -0.220
  697    HA3  GLY 106           HA2      GLY 106  16.265   1.074  -1.192
  698    H    ASN 107           H        ASN 107  13.868   0.216  -3.039
  699    HA   ASN 107           HA       ASN 107  14.102   2.593  -4.717
  700    HB2  ASN 107           HB2      ASN 107  14.625   0.531  -5.826
  701    HB3  ASN 107           HB3      ASN 107  13.140  -0.221  -5.255
  702   HD21  ASN 107          1HD2      ASN 107  11.215   0.197  -6.307
  703   HD22  ASN 107          2HD2      ASN 107  11.144   1.011  -7.828
  704    H    TYR 108           H        TYR 108  11.634   0.588  -3.184
  705    HA   TYR 108           HA       TYR 108   9.458   1.997  -4.429
  706    HB2  TYR 108           HB2      TYR 108   9.457   0.010  -2.153
  707    HB3  TYR 108           HB3      TYR 108   8.023   0.613  -2.973
  708    HD1  TYR 108           HD1      TYR 108   8.347   0.379  -5.711
  709    HD2  TYR 108           HD2      TYR 108  10.036  -2.124  -2.724
  710    HE1  TYR 108           HE1      TYR 108   8.494  -1.452  -7.341
  711    HE2  TYR 108           HE2      TYR 108  10.191  -3.962  -4.343
  712    HH   TYR 108           HH       TYR 108   9.283  -4.698  -6.413
  713    H    ASN 109           H        ASN 109   8.200   3.574  -3.610
  714    HA   ASN 109           HA       ASN 109   9.141   4.984  -1.267
  715    HB2  ASN 109           HB2      ASN 109   8.460   6.699  -2.580
  716    HB3  ASN 109           HB3      ASN 109   7.509   5.629  -3.605
  717   HD21  ASN 109          1HD2      ASN 109   7.501   7.594  -0.720
  718   HD22  ASN 109          2HD2      ASN 109   5.782   7.756  -0.608
  719    H    TYR 110           H        TYR 110   7.896   5.427   0.577
  720    HA   TYR 110           HA       TYR 110   5.277   4.162   0.760
  721    HB2  TYR 110           HB2      TYR 110   5.687   2.869   2.600
  722    HB3  TYR 110           HB3      TYR 110   7.284   2.789   1.869
  723    HD1  TYR 110           HD1      TYR 110   9.095   4.295   2.763
  724    HD2  TYR 110           HD2      TYR 110   5.362   3.794   4.721
  725    HE1  TYR 110           HE1      TYR 110  10.075   5.174   4.833
  726    HE2  TYR 110           HE2      TYR 110   6.326   4.684   6.801
  727    HH   TYR 110           HH       TYR 110   8.582   4.883   7.842
  728    H    ILE 111           H        ILE 111   3.964   5.149   2.464
  729    HA   ILE 111           HA       ILE 111   4.904   7.890   2.953
  730    HB   ILE 111           HB       ILE 111   2.622   8.703   2.554
  731   HG12  ILE 111          2HG1      ILE 111   2.042   5.865   1.667
  732   HG13  ILE 111          3HG1      ILE 111   1.385   6.646   3.102
  733   HG21  ILE 111          2HG2      ILE 111   3.793   7.116   0.269
  734   HG22  ILE 111          1HG2      ILE 111   4.224   8.762   0.737
  735   HG23  ILE 111          3HG2      ILE 111   2.614   8.418   0.107
  736   HD11  ILE 111          3HD1      ILE 111   0.861   7.410   0.240
  737   HD12  ILE 111          2HD1      ILE 111   0.263   8.291   1.649
  738   HD13  ILE 111          1HD1      ILE 111  -0.264   6.633   1.358
  739    H    HIS 112           H        HIS 112   4.775   8.582   4.989
  740    HA   HIS 112           HA       HIS 112   2.843   7.258   6.775
  741    HB2  HIS 112           HB2      HIS 112   4.476   7.165   8.589
  742    HB3  HIS 112           HB3      HIS 112   5.058   6.251   7.204
  743    HD1  HIS 112           HD1      HIS 112   5.946   8.974   9.486
  744    HD2  HIS 112           HD2      HIS 112   7.196   7.589   5.748
  745    HE1  HIS 112           HE1      HIS 112   8.181  10.049   9.073
  746    HE2  HIS 112           HE2      HIS 112   8.814   9.353   6.736
  747    H    ILE 113           H        ILE 113   1.777   8.632   8.135
  748    HA   ILE 113           HA       ILE 113   1.866  11.385   7.543
  749    HB   ILE 113           HB       ILE 113   0.294  11.490   9.564
  750   HG12  ILE 113          2HG1      ILE 113   0.446   8.496   9.208
  751   HG13  ILE 113          3HG1      ILE 113   1.013   9.386  10.617
  752   HG21  ILE 113          2HG2      ILE 113  -1.563  10.586   8.244
  753   HG22  ILE 113          1HG2      ILE 113  -0.398   9.800   7.177
  754   HG23  ILE 113          3HG2      ILE 113  -0.462  11.560   7.266
  755   HD11  ILE 113          3HD1      ILE 113  -1.134   8.347  11.043
  756   HD12  ILE 113          2HD1      ILE 113  -1.835   9.199   9.668
  757   HD13  ILE 113          1HD1      ILE 113  -1.277  10.106  11.075