*HEADER    DE NOVO PROTEIN                         15-MAR-19   6R28              
*TITLE     STRUCTURE OF PEPTIDE P7, WHICH BINDS CDC42 AND INHIBITS EFFECTOR      
*TITLE    2 INTERACTIONS.                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE P7;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    INHIBITOR, CYCLIC PEPTIDE, SYNTHETIC PEPTIDE., DE NOVO PROTEIN        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    35                                                                    
*AUTHOR    N.P.MURPHY,H.R.MOTT,D.OWEN                                            
*REVDAT   2   15-NOV-23 6R28    1
*REVDAT   1   29-JAN-20 6R28    0                                                
# Restraints file 1: ambig.tbl
 ASSI {   13}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 6    and name HG1%)
      3.700     1.700     1.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.33387E-03 ppm1      7.672 ppm2      0.703 CV     1
 OR {   13}
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 3    and name HG2%)
 ASSI {   19}
   (( segid "    " and resid 11   and name HZ2 ))
   (( segid "    " and resid 8    and name HD3 ))
      3.600     3.600     2.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.39380E-03 ppm1      7.317 ppm2      2.646 CV     1
 OR {   19}
   (( segid "    " and resid 11   and name HZ2 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {   22}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 8    and name HD3 ))
      2.600     2.600     3.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.25564E-02 ppm1      6.951 ppm2      2.661 CV     1
 OR {   22}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {   22}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HD3 ))
 OR {   22}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {   23}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     2.900     3.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14138E-02 ppm1      6.950 ppm2      2.521 CV     1
 OR {   23}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   26}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     3.400     2.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.58348E-03 ppm1      6.954 ppm2      1.830 CV     1
 OR {   26}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {   29}
   (( segid "    " and resid 14   and name HH2 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.400     1.500     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.51296E-03 ppm1      7.088 ppm2      1.490 CV     1
 OR {   29}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {   32}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 8    and name HD3 ))
      3.400     3.400     2.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.56935E-03 ppm1      7.089 ppm2      2.650 CV     1
 OR {   32}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 15   and name HB3 ))
 OR {   32}
   (( segid "    " and resid 14   and name HH2 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {   33}
   (( segid "    " and resid 14   and name HH2 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.600     3.600     2.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.38749E-03 ppm1      7.087 ppm2      2.528 CV     1
 OR {   33}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {   35}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.43193E-02 ppm1      7.733 ppm2      4.526 CV     1
 OR {   35}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {   48}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 8    and name HB2 ))
      3.400     3.400     2.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.53050E-03 ppm1      6.718 ppm2      1.475 CV     1
 OR {   48}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {   51}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
      3.100     3.100     2.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.88934E-03 ppm1      6.713 ppm2      3.119 CV     1
 OR {   51}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   53}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      3.700     1.800     1.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.29967E-03 ppm1      6.536 ppm2      3.118 CV     1
 OR {   53}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   54}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 11   and name HB3 ))
      3.300     3.300     2.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.59804E-03 ppm1      6.540 ppm2      3.004 CV     1
 OR {   54}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {   58}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 11   and name HH2 ))
      3.200     1.300     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.77984E-03 ppm1      6.713 ppm2      7.098 CV     1
 OR {   58}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 14   and name HD1 ))
 ASSI {   61}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 6    and name HG1%)
      2.700     2.700     3.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.21731E-02 ppm1      6.855 ppm2      0.702 CV     1
 OR {   61}
   (( segid "    " and resid 5    and name HD2 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {   63}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HD3 ))
      3.000     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.12310E-02 ppm1      6.855 ppm2      2.646 CV     1
 OR {   63}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   70}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.000     3.000     3.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      2.949 ppm2      0.724 CV     1
 OR {   70}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 3    and name HG2%)
 ASSI {   71}
   (( segid "    " and resid 5    and name HB3 ))
   (  segid "    " and resid 6    and name HG2%)
      3.300     1.400     1.400 peak    71 spectrum    1 weight  0.10000E+01 volume  0.59380E-03 ppm1      2.923 ppm2      0.724 CV     1
 OR {   71}
   (( segid "    " and resid 5    and name HB3 ))
   (  segid "    " and resid 3    and name HG2%)
 ASSI {   72}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 6    and name HG1%)
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.87624E-03 ppm1      2.962 ppm2      0.701 CV     1
 OR {   72}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 3    and name HG2%)
 ASSI {   74}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.700     3.700     2.300 peak    74 spectrum    1 weight  0.10000E+01 volume  0.32019E-03 ppm1      2.547 ppm2      0.727 CV     1
 OR {   74}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {   76}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 3    and name HG2%)
      3.400     1.400     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.55352E-03 ppm1      2.638 ppm2      0.704 CV     1
 OR {   76}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {   78}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 3    and name HG2%)
      3.400     3.400     2.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.53932E-03 ppm1      2.492 ppm2      0.705 CV     1
 OR {   78}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 6    and name HG1%)
 OR {   78}
   (( segid "    " and resid 8    and name HD2 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {   81}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.76143E-03 ppm1      3.902 ppm2      4.536 CV     1
 OR {   81}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {   82}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     1.400     1.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.58762E-03 ppm1      3.902 ppm2      2.944 CV     1
 OR {   82}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {   90}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 3    and name HD1%)
      3.900     1.900     1.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.23376E-03 ppm1      3.537 ppm2      0.715 CV     1
 OR {   90}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 3    and name HG2%)
 OR {   90}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {   91}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 3    and name HD1%)
      3.800     1.800     1.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.28584E-03 ppm1      3.479 ppm2      0.718 CV     1
 OR {   91}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 3    and name HG2%)
 OR {   91}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {   94}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 7    and name HA  ))
      2.900     2.900     3.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.14674E-02 ppm1      0.695 ppm2      4.536 CV     1
 OR {   94}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI {   96}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.24125E-03 ppm1      9.831 ppm2      4.529 CV     1
 OR {   96}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  101}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 1    and name HG3 ))
      3.600     3.600     2.400 peak   101 spectrum    1 weight  0.10000E+01 volume  0.36342E-03 ppm1      6.951 ppm2      1.952 CV     1
 OR {  101}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  103}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 12   and name HG3 ))
      3.900     1.900     1.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.24576E-03 ppm1      6.535 ppm2      1.662 CV     1
 OR {  103}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  105}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 3    and name HG2%)
      3.000     1.100     1.100 peak   105 spectrum    1 weight  0.10000E+01 volume  0.12358E-02 ppm1      7.979 ppm2      0.693 CV     1
 OR {  105}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {  461}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 9    and name HD3 ))
      3.300     3.300     2.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.61122E-03 ppm1      0.739 ppm2      3.480 CV     1
 OR {  461}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HD3 ))
# Restraints file 2: D_1292101294_mr_P1.cns.V3
 ASSI {    1}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.71596E-03 ppm1      6.856 ppm2      0.989 CV     1
 ASSI {    2}
   (( segid "    " and resid 11   and name HD1 ))
   (  segid "    " and resid 6    and name HG1%)
      3.000     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.12124E-02 ppm1      6.948 ppm2      0.710 CV     1
 ASSI {    3}
   (( segid "    " and resid 14   and name HD1 ))
   (  segid "    " and resid 6    and name HG2%)
      3.400     3.400     2.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.53356E-03 ppm1      7.104 ppm2      0.713 CV     1
 OR {    3}
   (( segid "    " and resid 14   and name HD1 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {    4}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HB3 ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.40293E-03 ppm1      8.239 ppm2      3.735 CV     1
 OR {    4}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {    5}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HG13))
      3.400     1.500     1.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.52492E-03 ppm1      8.238 ppm2      1.302 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HG12))
      3.300     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.64681E-03 ppm1      8.237 ppm2      1.044 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name H   ))
   (  segid "    " and resid 3    and name HG2%)
      3.400     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.55762E-03 ppm1      8.240 ppm2      0.709 CV     1
 ASSI {    8}
   (( segid "    " and resid 5    and name H   ))
   (  segid "    " and resid 3    and name HG2%)
      2.800     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      7.782 ppm2      0.709 CV     1
 ASSI {    9}
   (( segid "    " and resid 4    and name H   ))
   (  segid "    " and resid 3    and name HG2%)
      2.900     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.13969E-02 ppm1      8.294 ppm2      0.707 CV     1
 ASSI {   10}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     2.400     3.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.42475E-02 ppm1      6.853 ppm2      4.530 CV     1
 ASSI {   11}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      7.737 ppm2      1.832 CV     1
 ASSI {   12}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 12   and name HB3 ))
      3.400     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.58693E-03 ppm1      7.736 ppm2      1.165 CV     1
 ASSI {   15}
   (( segid "    " and resid 11   and name HH2 ))
   (  segid "    " and resid 15   and name HD% )
      3.400     1.500     1.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.53197E-03 ppm1      7.084 ppm2      6.713 CV     1
 ASSI {   16}
   (( segid "    " and resid 11   and name HH2 ))
   (  segid "    " and resid 6    and name HG1%)
      3.200     1.300     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.73695E-03 ppm1      7.089 ppm2      0.710 CV     1
 ASSI {   17}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.300     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.68870E-03 ppm1      7.335 ppm2      0.989 CV     1
 ASSI {   18}
   (( segid "    " and resid 11   and name HE3 ))
   (  segid "    " and resid 6    and name HG1%)
      3.100     3.100     2.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.96223E-03 ppm1      7.348 ppm2      0.708 CV     1
 ASSI {   20}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.300     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.66539E-03 ppm1      7.343 ppm2      2.489 CV     1
 ASSI {   21}
   (( segid "    " and resid 11   and name HZ2 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.500     3.500     2.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.42231E-03 ppm1      7.318 ppm2      2.489 CV     1
 ASSI {   24}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 8    and name HD2 ))
      2.900     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.13929E-02 ppm1      6.950 ppm2      2.496 CV     1
 OR {   24}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HD2 ))
 ASSI {   25}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 6    and name HB  ))
      3.300     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.59079E-03 ppm1      6.953 ppm2      1.883 CV     1
 ASSI {   27}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 12   and name HG3 ))
      3.500     3.500     2.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.47719E-03 ppm1      6.952 ppm2      1.644 CV     1
 OR {   27}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 12   and name HG3 ))
 ASSI {   28}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.20434E-02 ppm1      6.950 ppm2      1.487 CV     1
 ASSI {   30}
   (( segid "    " and resid 14   and name HZ2 ))
   (( segid "    " and resid 1    and name HB3 ))
      3.500     3.500     2.500 peak    30 spectrum    1 weight  0.10000E+01 volume  0.46364E-03 ppm1      7.345 ppm2      1.911 CV     1
 ASSI {   31}
   (( segid "    " and resid 14   and name HZ2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.73372E-03 ppm1      7.345 ppm2      1.838 CV     1
 ASSI {   34}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.600     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.39741E-03 ppm1      7.087 ppm2      2.488 CV     1
 ASSI {   36}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 11   and name HE3 ))
      3.400     3.400     2.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.51567E-03 ppm1      7.737 ppm2      7.347 CV     1
 ASSI {   37}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 16   and name HD3 ))
      3.200     3.200     2.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.83930E-03 ppm1      7.108 ppm2      2.988 CV     1
 ASSI {   40}
   (( segid "    " and resid 14   and name HH2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     3.500     2.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.46002E-03 ppm1      7.088 ppm2      1.838 CV     1
 ASSI {   41}
   (( segid "    " and resid 14   and name HH2 ))
   (( segid "    " and resid 12   and name HG3 ))
      3.600     1.700     1.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.35122E-03 ppm1      7.086 ppm2      1.649 CV     1
 ASSI {   42}
   (( segid "    " and resid 14   and name HZ3 ))
   (( segid "    " and resid 16   and name HD3 ))
      3.200     1.300     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.72296E-03 ppm1      7.029 ppm2      3.005 CV     1
 ASSI {   43}
   (( segid "    " and resid 14   and name HZ3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.43272E-03 ppm1      7.027 ppm2      4.353 CV     1
 ASSI {   45}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 16   and name HD3 ))
      3.600     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.38022E-03 ppm1      7.442 ppm2      2.992 CV     1
 ASSI {   46}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 6    and name HG1%)
      3.400     1.400     1.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.53974E-03 ppm1      6.714 ppm2      0.715 CV     1
 ASSI {   47}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 6    and name HG1%)
      3.400     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.49601E-03 ppm1      6.539 ppm2      0.710 CV     1
 ASSI {   49}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 12   and name HG2 ))
      3.600     3.600     2.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.36606E-03 ppm1      6.540 ppm2      1.500 CV     1
 ASSI {   50}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HG3 ))
      3.400     1.400     1.400 peak    50 spectrum    1 weight  0.10000E+01 volume  0.57185E-03 ppm1      6.722 ppm2      1.654 CV     1
 ASSI {   52}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HD2 ))
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.90905E-03 ppm1      6.713 ppm2      3.011 CV     1
 ASSI {   55}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 13   and name HB2 ))
      3.400     1.500     1.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.51294E-03 ppm1      6.539 ppm2      2.858 CV     1
 OR {   55}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {   56}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 11   and name HZ2 ))
      3.400     1.400     1.400 peak    56 spectrum    1 weight  0.10000E+01 volume  0.53984E-03 ppm1      6.538 ppm2      7.335 CV     1
 OR {   56}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 11   and name HE3 ))
 ASSI {   57}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 11   and name HE3 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.93429E-03 ppm1      6.712 ppm2      7.342 CV     1
 ASSI {   59}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 11   and name HH2 ))
      3.400     1.400     1.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.57187E-03 ppm1      6.539 ppm2      7.100 CV     1
 ASSI {   60}
   (( segid "    " and resid 5    and name HD2 ))
   (  segid "    " and resid 6    and name HG2%)
      2.700     2.700     3.300 peak    60 spectrum    1 weight  0.10000E+01 volume  0.22086E-02 ppm1      6.854 ppm2      0.725 CV     1
 ASSI {   62}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     1.400     1.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.59834E-03 ppm1      6.854 ppm2      1.482 CV     1
 ASSI {   64}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.90065E-03 ppm1      6.853 ppm2      2.861 CV     1
 OR {   64}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {   66}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.60089E-03 ppm1      6.854 ppm2      4.401 CV     1
 ASSI {   67}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 11   and name HZ2 ))
      2.800     1.000     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.18565E-02 ppm1      6.857 ppm2      7.336 CV     1
 ASSI {   68}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.400     3.400     2.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.56897E-03 ppm1      7.347 ppm2      6.860 CV     1
 ASSI {   69}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.73409E-03 ppm1      7.737 ppm2      4.252 CV     1
 ASSI {   73}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.600     1.700     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.35360E-03 ppm1      2.637 ppm2      0.730 CV     1
 ASSI {   75}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 6    and name HG2%)
      3.600     1.600     1.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.36917E-03 ppm1      2.493 ppm2      0.730 CV     1
 ASSI {   77}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 6    and name HG1%)
      3.700     1.700     1.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.32429E-03 ppm1      2.545 ppm2      0.704 CV     1
 ASSI {   79}
   (( segid "    " and resid 3    and name HG12))
   (  segid "    " and resid 3    and name HD1%)
      1.900     0.400     0.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.18364E-01 ppm1      1.043 ppm2      0.729 CV     1
 ASSI {   80}
   (( segid "    " and resid 3    and name HG13))
   (  segid "    " and resid 3    and name HD1%)
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.49235E-02 ppm1      1.311 ppm2      0.729 CV     1
 ASSI {   83}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34328E-03 ppm1      3.904 ppm2      2.998 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.100     3.100     2.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.95414E-03 ppm1      2.652 ppm2      3.014 CV     1
 ASSI {   87}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.000     1.200     1.200 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10516E-02 ppm1      2.544 ppm2      3.017 CV     1
 ASSI {   88}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.13681E-02 ppm1      3.002 ppm2      2.655 CV     1
 ASSI {   89}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.200     1.300     1.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.82162E-03 ppm1      2.968 ppm2      1.112 CV     1
 ASSI {   92}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 2    and name HB2 ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.25395E-03 ppm1      2.859 ppm2      3.727 CV     1
 OR {   92}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 2    and name HB3 ))
 OR {   92}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {   93}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      0.730 ppm2      4.534 CV     1
 ASSI {   98}
   (( segid "    " and resid 11   and name HE1 ))
   (  segid "    " and resid 6    and name HG1%)
      3.500     1.600     1.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.41875E-03 ppm1      9.832 ppm2      0.717 CV     1
 ASSI {  104}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.25423E-03 ppm1      6.709 ppm2      1.849 CV     1
 ASSI {  107}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.700     0.900     0.900 peak   107 spectrum    1 weight  0.10000E+01 volume  0.21871E-02 ppm1      1.381 ppm2      2.981 CV     1
 OR {  107}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {  108}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HD1 ))
      3.300     1.400     1.400 peak   108 spectrum    1 weight  0.10000E+01 volume  0.62827E-03 ppm1      7.734 ppm2      7.100 CV     1
 ASSI {  109}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.67693E-02 ppm1      1.169 ppm2      1.829 CV     1
 ASSI {  111}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB3 ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.62365E-02 ppm1      7.110 ppm2      3.229 CV     1
 ASSI {  112}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak   112 spectrum    1 weight  0.10000E+01 volume  0.95642E-03 ppm1      7.109 ppm2      1.831 CV     1
 ASSI {  114}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 12   and name HB3 ))
      3.300     1.300     1.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.68975E-03 ppm1     10.117 ppm2      1.168 CV     1
 ASSI {  115}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.41802E-02 ppm1      7.440 ppm2      3.137 CV     1
 ASSI {  116}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
      3.500     1.500     1.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.45062E-03 ppm1      8.518 ppm2      2.857 CV     1
 ASSI {  117}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.30798E-02 ppm1      7.980 ppm2      4.543 CV     1
 ASSI {  118}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 3    and name HG13))
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.39687E-03 ppm1      8.292 ppm2      1.302 CV     1
 ASSI {  119}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.200     2.200     3.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.72455E-02 ppm1      7.109 ppm2      3.137 CV     1
 ASSI {  120}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HB3 ))
      2.500     2.500     3.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.37799E-02 ppm1      7.440 ppm2      3.227 CV     1
 ASSI {  121}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.700     3.700     2.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.33412E-03 ppm1      3.740 ppm2      2.862 CV     1
 OR {  121}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  122}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG3 ))
      2.600     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.24048E-02 ppm1      1.501 ppm2      0.990 CV     1
 ASSI {  123}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.900     1.900     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.23307E-03 ppm1      3.720 ppm2      2.860 CV     1
 OR {  123}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  124}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 9    and name HD3 ))
      3.400     1.400     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.54489E-03 ppm1      7.737 ppm2      3.481 CV     1
 ASSI {  125}
   (( segid "    " and resid 1    and name HD3 ))
   (( segid "    " and resid 1    and name HB3 ))
      3.600     1.600     1.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.36469E-03 ppm1      3.747 ppm2      1.894 CV     1
 ASSI {  126}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 12   and name HG3 ))
      3.300     3.300     2.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.63662E-03 ppm1      7.343 ppm2      1.646 CV     1
 ASSI {  128}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.700     0.900     0.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.20371E-02 ppm1      1.492 ppm2      1.117 CV     1
 ASSI {  129}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.53761E-02 ppm1      3.019 ppm2      4.912 CV     1
 ASSI {  130}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB3 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.33695E-02 ppm1      1.504 ppm2      1.168 CV     1
 ASSI {  132}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.200     1.300     1.300 peak   132 spectrum    1 weight  0.10000E+01 volume  0.80442E-03 ppm1      2.499 ppm2      1.321 CV     1
 ASSI {  134}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 12   and name HB3 ))
      2.900     1.000     1.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.14036E-02 ppm1      1.647 ppm2      1.169 CV     1
 ASSI {  136}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.89826E-03 ppm1      2.634 ppm2      1.323 CV     1
 ASSI {  138}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     2.600     3.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.29728E-02 ppm1      7.109 ppm2      4.629 CV     1
 ASSI {  139}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 6    and name HB  ))
      2.000     0.500     0.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.13684E-01 ppm1      0.695 ppm2      1.868 CV     1
 ASSI {  140}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 6    and name HG1%)
      3.600     1.700     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.35528E-03 ppm1      4.477 ppm2      0.702 CV     1
 ASSI {  141}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      2.600     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.28609E-02 ppm1      4.404 ppm2      2.483 CV     1
 ASSI {  142}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 11   and name HB3 ))
      3.600     3.600     2.400 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36871E-03 ppm1      8.609 ppm2      2.987 CV     1
 ASSI {  144}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 8    and name HG2 ))
      4.000     2.000     2.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.21668E-03 ppm1      8.604 ppm2      1.114 CV     1
 ASSI {  145}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.52592E-02 ppm1      1.864 ppm2      3.542 CV     1
 ASSI {  146}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.20550E-02 ppm1      8.606 ppm2      2.670 CV     1
 ASSI {  148}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
      3.100     1.200     1.200 peak   148 spectrum    1 weight  0.10000E+01 volume  0.93776E-03 ppm1      7.728 ppm2      3.230 CV     1
 ASSI {  149}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      3.300     3.300     2.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.67472E-03 ppm1      0.703 ppm2      4.252 CV     1
 ASSI {  150}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.62010E-03 ppm1      7.344 ppm2      2.529 CV     1
 ASSI {  151}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HD3 ))
      3.200     1.300     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.73910E-03 ppm1      8.607 ppm2      3.482 CV     1
 ASSI {  152}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      3.200     1.300     1.300 peak   152 spectrum    1 weight  0.10000E+01 volume  0.72913E-03 ppm1      4.253 ppm2      0.733 CV     1
 ASSI {  153}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      7.729 ppm2      4.479 CV     1
 ASSI {  154}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HD2 ))
      2.800     1.000     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.17706E-02 ppm1      8.607 ppm2      3.542 CV     1
 ASSI {  155}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.81979E-02 ppm1      3.010 ppm2      4.526 CV     1
 ASSI {  156}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     3.000     3.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10539E-02 ppm1      2.497 ppm2      4.534 CV     1
 ASSI {  157}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   157 spectrum    1 weight  0.10000E+01 volume  0.89924E-03 ppm1      7.725 ppm2      4.630 CV     1
 ASSI {  158}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     3.000     3.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.11949E-02 ppm1      2.980 ppm2      4.047 CV     1
 ASSI {  159}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.24468E-02 ppm1      8.607 ppm2      4.387 CV     1
 ASSI {  160}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HG3 ))
      3.300     1.400     1.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.64477E-03 ppm1      7.738 ppm2      0.988 CV     1
 ASSI {  161}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.29303E-02 ppm1      1.873 ppm2      3.903 CV     1
 ASSI {  162}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.61509E-03 ppm1      2.493 ppm2      3.105 CV     1
 ASSI {  163}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.38587E-02 ppm1      1.912 ppm2      4.403 CV     1
 ASSI {  164}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.400     1.400     1.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.54780E-03 ppm1      4.251 ppm2      2.859 CV     1
 ASSI {  165}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD3 ))
      3.100     1.200     1.200 peak   165 spectrum    1 weight  0.10000E+01 volume  0.99778E-03 ppm1      4.534 ppm2      2.643 CV     1
 ASSI {  167}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
      3.100     1.200     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.85562E-03 ppm1      7.732 ppm2      2.860 CV     1
 OR {  167}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  168}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 12   and name HD3 ))
      3.900     3.900     2.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.24916E-03 ppm1      9.829 ppm2      3.452 CV     1
 ASSI {  169}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HD3 ))
      3.300     1.400     1.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.59951E-03 ppm1      7.737 ppm2      2.643 CV     1
 ASSI {  170}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.600     1.600     1.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.38361E-03 ppm1     10.117 ppm2      3.133 CV     1
 ASSI {  171}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.34703E-03 ppm1      4.913 ppm2      1.516 CV     1
 ASSI {  172}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HD2 ))
      4.100     2.100     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.17943E-03 ppm1      3.539 ppm2      2.489 CV     1
 ASSI {  173}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 9    and name HD2 ))
      3.600     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.35130E-03 ppm1      7.736 ppm2      3.544 CV     1
 ASSI {  174}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.400     0.700     0.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.42882E-02 ppm1      1.914 ppm2      2.641 CV     1
 ASSI {  176}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 11   and name HB2 ))
      4.000     2.000     2.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.19599E-03 ppm1      8.607 ppm2      3.110 CV     1
 ASSI {  177}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HG2 ))
      3.100     1.200     1.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.91425E-03 ppm1      7.738 ppm2      1.110 CV     1
 ASSI {  178}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.45447E-03 ppm1      4.384 ppm2      4.920 CV     1
 ASSI {  179}
   (( segid "    " and resid 16   and name H   ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      7.962 ppm2      4.047 CV     1
 ASSI {  180}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HB3 ))
      2.900     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      7.737 ppm2      1.322 CV     1
 ASSI {  181}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.500     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.38194E-02 ppm1      2.493 ppm2      1.914 CV     1
 ASSI {  182}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 11   and name HB3 ))
      3.500     1.600     1.600 peak   182 spectrum    1 weight  0.10000E+01 volume  0.42110E-03 ppm1      0.989 ppm2      2.973 CV     1
 ASSI {  184}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      1.900     0.500     0.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.15439E-01 ppm1      0.738 ppm2      1.868 CV     1
 ASSI {  185}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.86234E-03 ppm1      7.736 ppm2      1.484 CV     1
 ASSI {  186}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name H   ))
      3.100     1.200     1.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.88932E-03 ppm1      6.713 ppm2      7.634 CV     1
 ASSI {  187}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     1.400     1.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.55287E-03 ppm1      7.736 ppm2      2.491 CV     1
 ASSI {  188}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
      3.200     1.300     1.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.71120E-03 ppm1      8.606 ppm2      2.137 CV     1
 ASSI {  189}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 3    and name HB  ))
      3.700     1.700     1.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.30787E-03 ppm1      7.781 ppm2      1.690 CV     1
 ASSI {  190}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.600     1.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.43387E-03 ppm1      6.714 ppm2      4.630 CV     1
 ASSI {  191}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      2.300     2.300     3.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.52385E-02 ppm1      6.713 ppm2      4.352 CV     1
 ASSI {  192}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.40577E-02 ppm1      2.493 ppm2      1.963 CV     1
 ASSI {  194}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HD2 ))
      4.200     2.200     1.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.14927E-03 ppm1      3.488 ppm2      2.488 CV     1
 ASSI {  195}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.700     3.700     2.300 peak   195 spectrum    1 weight  0.10000E+01 volume  0.34308E-03 ppm1      4.476 ppm2      1.967 CV     1
 ASSI {  196}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 13   and name HB3 ))
      3.700     1.700     1.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.30779E-03 ppm1      7.783 ppm2      2.857 CV     1
 OR {  196}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  197}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      2.800     2.800     3.200 peak   197 spectrum    1 weight  0.10000E+01 volume  0.16233E-02 ppm1      6.720 ppm2      4.048 CV     1
 ASSI {  198}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.700     0.900     0.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.22680E-02 ppm1      2.499 ppm2      1.110 CV     1
 ASSI {  199}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.81584E-02 ppm1      6.714 ppm2      2.537 CV     1
 ASSI {  200}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.400     3.400     2.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.56134E-03 ppm1      7.108 ppm2      1.500 CV     1
 ASSI {  201}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.19618E-02 ppm1      2.634 ppm2      1.111 CV     1
 ASSI {  203}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 6    and name HG2%)
      3.200     3.200     2.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.71390E-03 ppm1      3.001 ppm2      0.728 CV     1
 ASSI {  204}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG3 ))
      2.800     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.19048E-02 ppm1      2.500 ppm2      0.990 CV     1
 ASSI {  205}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 12   and name HG3 ))
      3.400     1.500     1.500 peak   205 spectrum    1 weight  0.10000E+01 volume  0.50406E-03 ppm1      7.106 ppm2      1.645 CV     1
 ASSI {  207}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 8    and name HG2 ))
      3.700     1.700     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.32878E-03 ppm1      7.673 ppm2      1.111 CV     1
 ASSI {  208}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 6    and name HB  ))
      3.900     1.900     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.22881E-03 ppm1      7.784 ppm2      1.869 CV     1
 ASSI {  209}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.14458E-02 ppm1      2.639 ppm2      1.490 CV     1
 ASSI {  210}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HB3 ))
      2.200     2.200     3.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.73751E-02 ppm1      7.672 ppm2      2.986 CV     1
 ASSI {  211}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB3 ))
      2.100     0.600     0.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.88228E-02 ppm1      6.712 ppm2      2.658 CV     1
 ASSI {  213}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 3    and name HB  ))
      3.100     1.200     1.200 peak   213 spectrum    1 weight  0.10000E+01 volume  0.10125E-02 ppm1      8.239 ppm2      1.698 CV     1
 ASSI {  214}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.200     1.300     1.300 peak   214 spectrum    1 weight  0.10000E+01 volume  0.71116E-03 ppm1      1.163 ppm2      3.022 CV     1
 ASSI {  215}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
      3.700     1.700     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.34228E-03 ppm1      2.535 ppm2      1.169 CV     1
 ASSI {  216}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak   216 spectrum    1 weight  0.10000E+01 volume  0.11928E-02 ppm1      7.672 ppm2      1.486 CV     1
 ASSI {  217}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.600     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.27180E-02 ppm1      1.503 ppm2      3.021 CV     1
 ASSI {  218}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.65347E-03 ppm1      7.109 ppm2      4.477 CV     1
 ASSI {  219}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.600     0.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.62252E-02 ppm1      3.454 ppm2      4.912 CV     1
 ASSI {  221}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
      3.500     3.500     2.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.47183E-03 ppm1      7.671 ppm2      1.829 CV     1
 ASSI {  222}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 11   and name HZ2 ))
      2.300     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.52647E-02 ppm1      9.832 ppm2      7.325 CV     1
 ASSI {  223}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.100     1.200     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.93242E-03 ppm1      7.109 ppm2      2.857 CV     1
 OR {  223}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  224}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.400     0.700     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.47175E-02 ppm1      1.955 ppm2      2.641 CV     1
 ASSI {  225}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.19483E-02 ppm1      2.987 ppm2      1.657 CV     1
 ASSI {  226}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HD3 ))
      3.700     1.700     1.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.33632E-03 ppm1      6.708 ppm2      3.452 CV     1
 ASSI {  227}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.42355E-02 ppm1      7.672 ppm2      3.110 CV     1
 ASSI {  229}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.800     1.000     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.15886E-02 ppm1      3.487 ppm2      2.136 CV     1
 ASSI {  230}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HG3 ))
      2.600     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.28454E-02 ppm1      3.450 ppm2      1.641 CV     1
 ASSI {  231}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 12   and name HD3 ))
      3.000     3.000     3.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.12282E-02 ppm1      7.673 ppm2      3.457 CV     1
 ASSI {  233}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.43164E-03 ppm1      7.671 ppm2      4.533 CV     1
 ASSI {  234}
   (( segid "    " and resid 16   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.16050E-02 ppm1      7.955 ppm2      4.352 CV     1
 ASSI {  235}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.000     0.500     0.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.14575E-01 ppm1      9.833 ppm2      6.952 CV     1
 ASSI {  236}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 8    and name HB3 ))
      3.300     1.400     1.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.62550E-03 ppm1      8.607 ppm2      1.324 CV     1
 ASSI {  237}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 9    and name HD2 ))
      3.800     1.800     1.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.27324E-03 ppm1      7.671 ppm2      3.541 CV     1
 ASSI {  239}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.400     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.45562E-02 ppm1      7.342 ppm2      2.987 CV     1
 ASSI {  240}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.31745E-02 ppm1      1.836 ppm2      4.178 CV     1
 ASSI {  241}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 8    and name HG2 ))
      4.100     2.100     1.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.17921E-03 ppm1      9.828 ppm2      1.109 CV     1
 ASSI {  242}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.300     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.50989E-02 ppm1      1.105 ppm2      1.315 CV     1
 ASSI {  243}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.39920E-02 ppm1      7.342 ppm2      3.113 CV     1
 ASSI {  245}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      3.538 ppm2      2.136 CV     1
 ASSI {  246}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.41471E-02 ppm1      7.674 ppm2      4.914 CV     1
 ASSI {  248}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.40134E-03 ppm1      1.914 ppm2      4.475 CV     1
 ASSI {  249}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HE3 ))
      3.700     1.700     1.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.33070E-03 ppm1      7.674 ppm2      7.343 CV     1
 ASSI {  251}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HD1 ))
      3.000     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      7.673 ppm2      6.951 CV     1
 ASSI {  252}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HD3 ))
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.79323E-03 ppm1      0.978 ppm2      2.640 CV     1
 ASSI {  253}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.700     0.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.49737E-02 ppm1      4.405 ppm2      1.963 CV     1
 ASSI {  254}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 8    and name HG3 ))
      3.700     1.700     1.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.32090E-03 ppm1      8.608 ppm2      0.990 CV     1
 ASSI {  255}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   255 spectrum    1 weight  0.10000E+01 volume  0.76641E-03 ppm1      0.994 ppm2      4.534 CV     1
 ASSI {  256}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.42928E-03 ppm1      9.831 ppm2      3.113 CV     1
 ASSI {  257}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.900     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      1.469 ppm2      2.988 CV     1
 ASSI {  258}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     2.900     3.100 peak   258 spectrum    1 weight  0.10000E+01 volume  0.14387E-02 ppm1      8.608 ppm2      1.829 CV     1
 ASSI {  260}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.12204E-02 ppm1      1.103 ppm2      4.534 CV     1
 ASSI {  261}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 11   and name HB3 ))
      3.400     3.400     2.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.50581E-03 ppm1      9.831 ppm2      2.994 CV     1
 ASSI {  264}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17853E-02 ppm1      1.331 ppm2      4.534 CV     1
 ASSI {  265}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HG2 ))
      2.800     2.800     3.200 peak   265 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      8.607 ppm2      1.864 CV     1
 ASSI {  266}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.24337E-02 ppm1      1.479 ppm2      4.534 CV     1
 ASSI {  267}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.77983E-03 ppm1      4.477 ppm2      2.643 CV     1
 ASSI {  268}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     3.300     2.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.63178E-03 ppm1      7.109 ppm2      4.352 CV     1
 ASSI {  269}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 3    and name HG13))
      3.900     3.900     2.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.25282E-03 ppm1      7.783 ppm2      1.310 CV     1
 ASSI {  270}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.400     1.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.50940E-03 ppm1     10.117 ppm2      1.502 CV     1
 ASSI {  271}
   (( segid "    " and resid 15   and name H   ))
   (( segid "    " and resid 15   and name HB3 ))
      2.800     2.800     3.200 peak   271 spectrum    1 weight  0.10000E+01 volume  0.16746E-02 ppm1      7.634 ppm2      2.655 CV     1
 ASSI {  272}
   (( segid "    " and resid 15   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.56718E-03 ppm1      7.633 ppm2      3.137 CV     1
 ASSI {  274}
   (( segid "    " and resid 15   and name H   ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   274 spectrum    1 weight  0.10000E+01 volume  0.10168E-02 ppm1      7.627 ppm2      4.352 CV     1
 ASSI {  276}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 12   and name HB3 ))
      3.000     1.200     1.200 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      7.110 ppm2      1.170 CV     1
 ASSI {  277}
   (( segid "    " and resid 14   and name HZ3 ))
   (( segid "    " and resid 15   and name HB3 ))
      3.800     1.800     1.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.26615E-03 ppm1      7.029 ppm2      2.655 CV     1
 ASSI {  278}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.200     3.200     2.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.70868E-03 ppm1      6.540 ppm2      4.353 CV     1
 ASSI {  280}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      7.783 ppm2      2.955 CV     1
 OR {  280}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  281}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 11   and name HH2 ))
      3.400     3.400     2.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.54699E-03 ppm1      9.831 ppm2      7.091 CV     1
 ASSI {  282}
   (( segid "    " and resid 14   and name HZ3 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.600     3.600     2.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.35431E-03 ppm1      7.026 ppm2      2.532 CV     1
 ASSI {  283}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.73193E-03 ppm1      3.113 ppm2      4.915 CV     1
 ASSI {  284}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.100     0.500     0.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.10211E-01 ppm1      2.949 ppm2      4.542 CV     1
 ASSI {  285}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HG1 ))
      3.000     3.000     3.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.10818E-02 ppm1      6.857 ppm2      2.485 CV     1
 ASSI {  287}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.000     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.12298E-02 ppm1      6.853 ppm2      1.110 CV     1
 ASSI {  289}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.100     1.200     1.200 peak   289 spectrum    1 weight  0.10000E+01 volume  0.85094E-03 ppm1      6.857 ppm2      1.913 CV     1
 ASSI {  290}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.700     0.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.57040E-02 ppm1      3.004 ppm2      4.912 CV     1
 ASSI {  291}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HD3 ))
      3.800     1.800     1.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.29202E-03 ppm1      2.539 ppm2      3.457 CV     1
 ASSI {  292}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak   292 spectrum    1 weight  0.10000E+01 volume  0.89661E-03 ppm1      7.672 ppm2      2.532 CV     1
 ASSI {  293}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.200     1.200     1.200 peak   293 spectrum    1 weight  0.10000E+01 volume  0.84860E-03 ppm1      6.857 ppm2      1.965 CV     1
 ASSI {  294}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.28124E-03 ppm1      2.539 ppm2      4.916 CV     1
 ASSI {  295}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.100     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.88947E-03 ppm1      6.853 ppm2      1.320 CV     1
 ASSI {  296}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     3.900     2.100 peak   296 spectrum    1 weight  0.10000E+01 volume  0.23375E-03 ppm1      2.656 ppm2      4.919 CV     1
 ASSI {  297}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.24627E-03 ppm1      1.635 ppm2      4.915 CV     1
 ASSI {  298}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.300     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.69792E-03 ppm1      2.221 ppm2      4.349 CV     1
 ASSI {  300}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.400     3.400     2.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.51362E-03 ppm1      3.100 ppm2      1.112 CV     1
 ASSI {  301}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     3.300     2.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.60169E-03 ppm1      7.737 ppm2      4.177 CV     1
 ASSI {  302}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      2.860 ppm2      1.915 CV     1
 OR {  302}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  303}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.78836E-03 ppm1     10.118 ppm2      1.830 CV     1
 ASSI {  304}
   (( segid "    " and resid 8    and name H   ))
   (( segid "    " and resid 7    and name HB2 ))
      2.600     0.900     0.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.24851E-02 ppm1      7.737 ppm2      2.956 CV     1
 ASSI {  306}
   (( segid "    " and resid 1    and name HG3 ))
   (( segid "    " and resid 1    and name HD3 ))
      3.100     1.200     1.200 peak   306 spectrum    1 weight  0.10000E+01 volume  0.95442E-03 ppm1      1.961 ppm2      3.752 CV     1
 ASSI {  309}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HD2 ))
      3.500     1.600     1.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.43376E-03 ppm1      1.910 ppm2      3.620 CV     1
 ASSI {  310}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.29597E-02 ppm1      2.861 ppm2      1.964 CV     1
 OR {  310}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  313}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.900     1.900     1.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.23932E-03 ppm1      9.832 ppm2      0.981 CV     1
 ASSI {  315}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 4    and name HG1 ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.15729E-02 ppm1      2.860 ppm2      2.479 CV     1
 OR {  315}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  316}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     1.400     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.65114E-03 ppm1      7.088 ppm2      2.967 CV     1
 ASSI {  319}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
      3.300     1.300     1.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.70405E-03 ppm1      8.295 ppm2      2.641 CV     1
 ASSI {  320}
   (( segid "    " and resid 11   and name HH2 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.63384E-03 ppm1      7.088 ppm2      3.004 CV     1
 ASSI {  321}
   (( segid "    " and resid 16   and name H   ))
   (( segid "    " and resid 16   and name HG3 ))
      3.800     1.800     1.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.29774E-03 ppm1      7.953 ppm2      1.389 CV     1
 ASSI {  322}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      3.600     1.600     1.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.36690E-03 ppm1      4.118 ppm2      2.483 CV     1
 ASSI {  325}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     3.300     2.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.60437E-03 ppm1      2.656 ppm2      3.113 CV     1
 ASSI {  326}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.100     3.100     2.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.91414E-03 ppm1      7.340 ppm2      1.321 CV     1
 ASSI {  327}
   (( segid "    " and resid 14   and name HE3 ))
   (  segid "    " and resid 15   and name HD% )
      3.600     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.35852E-03 ppm1      7.439 ppm2      6.715 CV     1
 ASSI {  328}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.19492E-02 ppm1      3.449 ppm2      1.504 CV     1
 ASSI {  329}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 3    and name HG2%)
      3.400     1.500     1.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.50207E-03 ppm1      2.140 ppm2      0.709 CV     1
 ASSI {  330}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 6    and name HG1%)
      2.900     1.100     1.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.12624E-02 ppm1      7.737 ppm2      0.701 CV     1
 ASSI {  333}
   (( segid "    " and resid 14   and name HZ2 ))
   (( segid "    " and resid 12   and name HB3 ))
      3.500     1.500     1.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.44975E-03 ppm1      7.346 ppm2      1.171 CV     1
 ASSI {  334}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.600     1.700     1.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.35294E-03 ppm1      3.540 ppm2      0.988 CV     1
 ASSI {  335}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.15118E-02 ppm1      1.370 ppm2      4.048 CV     1
 ASSI {  336}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 6    and name HG1%)
      3.200     1.300     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.80438E-03 ppm1      2.860 ppm2      0.702 CV     1
 OR {  336}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI {  337}
   (( segid "    " and resid 11   and name HE1 ))
   (  segid "    " and resid 15   and name HD% )
      3.700     1.800     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.29925E-03 ppm1      9.829 ppm2      6.716 CV     1
 ASSI {  338}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.15732E-02 ppm1      1.390 ppm2      4.047 CV     1
 ASSI {  339}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 6    and name HG1%)
      3.200     3.200     2.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.76578E-03 ppm1      3.002 ppm2      0.699 CV     1
 ASSI {  342}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 6    and name HG2%)
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.10811E-02 ppm1      2.860 ppm2      0.730 CV     1
 OR {  342}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  343}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.22632E-02 ppm1      1.655 ppm2      4.047 CV     1
 ASSI {  344}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG1%)
      2.100     0.600     0.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.94027E-02 ppm1      3.902 ppm2      0.699 CV     1
 ASSI {  346}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.900     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.25608E-03 ppm1      7.674 ppm2      4.252 CV     1
 ASSI {  347}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HZ2 ))
      2.400     0.700     0.700 peak   347 spectrum    1 weight  0.10000E+01 volume  0.39671E-02 ppm1     10.116 ppm2      7.351 CV     1
 ASSI {  348}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 8    and name HG3 ))
      3.300     1.400     1.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.59910E-03 ppm1      7.673 ppm2      0.989 CV     1
 ASSI {  349}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.900     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.14305E-02 ppm1      3.099 ppm2      1.323 CV     1
 ASSI {  350}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.10281E-02 ppm1      8.607 ppm2      1.487 CV     1
 ASSI {  351}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      2.700     2.700     3.300 peak   351 spectrum    1 weight  0.10000E+01 volume  0.20744E-02 ppm1      0.730 ppm2      4.117 CV     1
 ASSI {  352}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.900     1.100     1.100 peak   352 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      3.098 ppm2      1.488 CV     1
 ASSI {  354}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.800     1.800     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.27238E-03 ppm1      3.487 ppm2      0.993 CV     1
 ASSI {  355}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HA  ))
      2.100     0.500     0.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.10821E-01 ppm1      3.486 ppm2      4.534 CV     1
 ASSI {  356}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.600     0.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.61478E-02 ppm1      0.705 ppm2      4.120 CV     1
 ASSI {  357}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.300     1.300 peak   357 spectrum    1 weight  0.10000E+01 volume  0.70531E-03 ppm1      7.980 ppm2      2.943 CV     1
 ASSI {  358}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG13))
      2.800     1.000     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.16751E-02 ppm1      4.120 ppm2      1.302 CV     1
 ASSI {  359}
   (( segid "    " and resid 11   and name HE1 ))
   (  segid "    " and resid 15   and name HE% )
      3.900     1.900     1.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.24561E-03 ppm1      9.831 ppm2      6.536 CV     1
 ASSI {  361}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.18255E-02 ppm1      7.440 ppm2      4.352 CV     1
 ASSI {  362}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     2.700     3.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.23871E-02 ppm1      7.440 ppm2      4.630 CV     1
 ASSI {  365}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.200     0.600     0.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.81814E-02 ppm1      3.902 ppm2      0.728 CV     1
 ASSI {  367}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD3 ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      4.177 ppm2      3.481 CV     1
 ASSI {  368}
   (( segid "    " and resid 7    and name H   ))
   (( segid "    " and resid 6    and name HA  ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.75332E-03 ppm1      8.529 ppm2      3.903 CV     1
 ASSI {  369}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HD2 ))
      2.500     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.34748E-02 ppm1      4.533 ppm2      3.542 CV     1
 ASSI {  370}
   (( segid "    " and resid 1    and name HG3 ))
   (( segid "    " and resid 1    and name HA  ))
      3.400     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.56307E-03 ppm1      1.958 ppm2      4.341 CV     1
 ASSI {  373}
   (( segid "    " and resid 15   and name H   ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.18139E-02 ppm1      7.636 ppm2      4.630 CV     1
 ASSI {  374}
   (( segid "    " and resid 15   and name H   ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.17764E-02 ppm1      7.634 ppm2      2.534 CV     1
 ASSI {  375}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG12))
      2.700     0.900     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.23335E-02 ppm1      4.119 ppm2      1.042 CV     1
 ASSI {  376}
   (( segid "    " and resid 1    and name HD2 ))
   (( segid "    " and resid 1    and name HG3 ))
      3.000     1.100     1.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      3.627 ppm2      1.963 CV     1
 ASSI {  377}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 15   and name HB3 ))
      3.500     3.500     2.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.43337E-03 ppm1      7.438 ppm2      2.652 CV     1
 ASSI {  379}
   (( segid "    " and resid 14   and name HE3 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.400     3.400     2.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.50247E-03 ppm1      7.439 ppm2      2.532 CV     1
 ASSI {  381}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HG13))
      2.500     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.33265E-02 ppm1      1.698 ppm2      1.302 CV     1
 ASSI {  382}
   (( segid "    " and resid 8    and name H   ))
   (  segid "    " and resid 6    and name HG2%)
      3.000     3.000     3.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.11804E-02 ppm1      7.737 ppm2      0.726 CV     1
 ASSI {  383}
   (( segid "    " and resid 3    and name HG12))
   (( segid "    " and resid 3    and name HG13))
      2.000     0.500     0.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.14966E-01 ppm1      1.037 ppm2      1.301 CV     1
 ASSI {  384}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.14680E-02 ppm1      1.456 ppm2      4.046 CV     1
 ASSI {  387}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      1.900     0.400     0.400 peak   387 spectrum    1 weight  0.10000E+01 volume  0.19010E-01 ppm1      1.835 ppm2      2.136 CV     1
 ASSI {  388}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD3 ))
      3.500     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.44059E-03 ppm1      1.168 ppm2      3.458 CV     1
 ASSI {  389}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.41407E-03 ppm1      2.948 ppm2      4.405 CV     1
 ASSI {  390}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 8    and name HB3 ))
      3.000     1.200     1.200 peak   390 spectrum    1 weight  0.10000E+01 volume  0.10632E-02 ppm1      7.672 ppm2      1.323 CV     1
 ASSI {  392}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      2.200     0.600     0.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.65803E-02 ppm1      2.919 ppm2      4.542 CV     1
 ASSI {  393}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.23300E-02 ppm1      4.177 ppm2      0.704 CV     1
 ASSI {  394}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.100     1.200     1.200 peak   394 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      3.486 ppm2      1.322 CV     1
 ASSI {  395}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.67254E-02 ppm1      3.145 ppm2      4.627 CV     1
 ASSI {  396}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.18319E-02 ppm1      4.176 ppm2      0.731 CV     1
 ASSI {  397}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.92433E-03 ppm1      2.500 ppm2      1.487 CV     1
 ASSI {  398}
   (( segid "    " and resid 6    and name H   ))
   (  segid "    " and resid 6    and name HG2%)
      2.700     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.20918E-02 ppm1      7.980 ppm2      0.731 CV     1
 ASSI {  399}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD2 ))
      3.100     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.97710E-03 ppm1      4.177 ppm2      3.542 CV     1
 ASSI {  401}
   (( segid "    " and resid 6    and name H   ))
   (( segid "    " and resid 6    and name HB  ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.16088E-02 ppm1      7.979 ppm2      1.867 CV     1
 ASSI {  402}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.31939E-03 ppm1      2.862 ppm2      4.629 CV     1
 OR {  402}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  403}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 11   and name HD1 ))
      3.800     1.800     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.27009E-03 ppm1      8.606 ppm2      6.948 CV     1
 ASSI {  404}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.88359E-03 ppm1      2.860 ppm2      4.403 CV     1
 OR {  404}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  405}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.500     1.500     1.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.43788E-03 ppm1      0.731 ppm2      4.407 CV     1
 ASSI {  406}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.000     0.500     0.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.12886E-01 ppm1      1.867 ppm2      2.135 CV     1
 ASSI {  408}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 12   and name HG3 ))
      3.600     1.600     1.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.41328E-03 ppm1     10.118 ppm2      1.643 CV     1
 ASSI {  409}
   (( segid "    " and resid 16   and name H   ))
   (  segid "    " and resid 15   and name HD% )
      3.900     1.900     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.25217E-03 ppm1      7.955 ppm2      6.717 CV     1
 ASSI {  411}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.100     0.500     0.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.10394E-01 ppm1      2.860 ppm2      4.478 CV     1
 ASSI {  412}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.23435E-02 ppm1      8.295 ppm2      1.910 CV     1
 ASSI {  413}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 4    and name HG2 ))
      3.600     1.600     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.40490E-03 ppm1      7.785 ppm2      2.650 CV     1
 ASSI {  414}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.35218E-02 ppm1      1.504 ppm2      1.828 CV     1
 ASSI {  415}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.300     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.65939E-03 ppm1      2.545 ppm2      1.498 CV     1
 ASSI {  416}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 6    and name HG1%)
      3.700     1.700     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.34140E-03 ppm1      3.098 ppm2      0.697 CV     1
 ASSI {  417}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.71270E-03 ppm1      8.606 ppm2      4.533 CV     1
 ASSI {  418}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.34015E-02 ppm1      1.643 ppm2      1.828 CV     1
 ASSI {  419}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 4    and name HB1 ))
      2.800     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      8.295 ppm2      1.962 CV     1
 ASSI {  420}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.38803E-02 ppm1      1.828 ppm2      4.251 CV     1
 ASSI {  421}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 4    and name HG1 ))
      3.000     1.100     1.100 peak   421 spectrum    1 weight  0.10000E+01 volume  0.10811E-02 ppm1      8.295 ppm2      2.481 CV     1
 ASSI {  422}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.50793E-03 ppm1      3.455 ppm2      4.250 CV     1
 ASSI {  423}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.48776E-03 ppm1      3.013 ppm2      4.251 CV     1
 ASSI {  424}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HD3 ))
      1.900     0.500     0.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.17718E-01 ppm1      3.021 ppm2      3.455 CV     1
 ASSI {  425}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.300     1.300 peak   425 spectrum    1 weight  0.10000E+01 volume  0.68985E-03 ppm1      1.640 ppm2      4.251 CV     1
 ASSI {  426}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 9    and name HB3 ))
      3.900     3.900     2.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25350E-03 ppm1      7.669 ppm2      2.134 CV     1
 ASSI {  428}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.55891E-03 ppm1      1.507 ppm2      4.251 CV     1
 ASSI {  429}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 4    and name HG1 ))
      3.800     1.800     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.25688E-03 ppm1      7.782 ppm2      2.484 CV     1
 ASSI {  430}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG3 ))
      2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.22411E-02 ppm1      3.024 ppm2      1.642 CV     1
 ASSI {  431}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.10823E-02 ppm1      1.182 ppm2      4.251 CV     1
 ASSI {  432}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.400     1.400     1.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.55048E-03 ppm1      1.829 ppm2      3.023 CV     1
 ASSI {  433}
   (( segid "    " and resid 16   and name H   ))
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.37233E-03 ppm1      7.957 ppm2      1.659 CV     1
 ASSI {  435}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.24112E-02 ppm1      8.299 ppm2      4.403 CV     1
 ASSI {  438}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HB3 ))
      2.900     2.900     3.100 peak   438 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      6.540 ppm2      2.654 CV     1
 ASSI {  439}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HB2 ))
      3.000     3.000     3.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      6.540 ppm2      2.532 CV     1
 ASSI {  440}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak   440 spectrum    1 weight  0.10000E+01 volume  0.40719E-03 ppm1      7.781 ppm2      4.477 CV     1
 ASSI {  441}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.25139E-02 ppm1      8.606 ppm2      2.530 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HD3 ))
      3.500     1.500     1.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.48724E-03 ppm1      3.484 ppm2      2.649 CV     1
 ASSI {  443}
   (( segid "    " and resid 13   and name H   ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.72327E-03 ppm1      8.518 ppm2      4.252 CV     1
 ASSI {  444}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.500     3.500     2.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.46281E-03 ppm1      7.336 ppm2      1.112 CV     1
 ASSI {  445}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.400     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.44192E-02 ppm1      3.748 ppm2      4.458 CV     1
 ASSI {  446}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 9    and name HD2 ))
      3.600     3.600     2.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.39340E-03 ppm1      0.737 ppm2      3.540 CV     1
 ASSI {  447}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HE3 ))
      3.600     1.600     1.600 peak   447 spectrum    1 weight  0.10000E+01 volume  0.38555E-03 ppm1      7.733 ppm2      7.445 CV     1
 ASSI {  448}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.200     1.300     1.300 peak   448 spectrum    1 weight  0.10000E+01 volume  0.74258E-03 ppm1      6.951 ppm2      0.989 CV     1
 ASSI {  449}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.300     3.300     2.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.66991E-03 ppm1      6.950 ppm2      2.860 CV     1
 OR {  449}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  450}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.26453E-02 ppm1      7.671 ppm2      4.389 CV     1
 ASSI {  451}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.300     2.300     3.700 peak   451 spectrum    1 weight  0.10000E+01 volume  0.55642E-02 ppm1      6.950 ppm2      2.991 CV     1
 ASSI {  452}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.300     2.300     3.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.52206E-02 ppm1      6.951 ppm2      3.111 CV     1
 ASSI {  453}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 12   and name HD3 ))
      2.700     2.700     3.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.19581E-02 ppm1      6.951 ppm2      3.456 CV     1
 ASSI {  454}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      1.865 ppm2      4.535 CV     1
 ASSI {  455}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     3.200     2.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.71436E-03 ppm1      6.951 ppm2      4.397 CV     1
 ASSI {  456}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HB3 ))
      3.500     1.600     1.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.42251E-03 ppm1      6.708 ppm2      1.172 CV     1
 ASSI {  457}
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   457 spectrum    1 weight  0.10000E+01 volume  0.11871E-02 ppm1      7.730 ppm2      3.132 CV     1
 ASSI {  458}
   (( segid "    " and resid 5    and name H   ))
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   458 spectrum    1 weight  0.10000E+01 volume  0.58755E-03 ppm1      7.781 ppm2      4.532 CV     1
 ASSI {  459}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     3.200     2.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.79738E-03 ppm1      6.950 ppm2      4.479 CV     1
 ASSI {  463}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.000     2.000     4.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.12124E-01 ppm1      6.951 ppm2      4.912 CV     1
 ASSI {  464}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 8    and name HB2 ))
      3.600     1.600     1.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.39089E-03 ppm1      9.831 ppm2      1.490 CV     1
 ASSI {  465}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 12   and name HD3 ))
      3.200     1.300     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.81515E-03 ppm1      7.342 ppm2      3.456 CV     1
 ASSI {  466}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
      3.900     3.900     2.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.25030E-03 ppm1      6.538 ppm2      1.377 CV     1
 ASSI {  467}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 15   and name HB3 ))
      3.100     1.200     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.98406E-03 ppm1      7.343 ppm2      2.652 CV     1
 ASSI {  469}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     3.000     3.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.12124E-02 ppm1      7.344 ppm2      1.492 CV     1
 ASSI {  470}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HG2 ))
      3.500     1.600     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.42408E-03 ppm1      6.716 ppm2      1.368 CV     1
 ASSI {  471}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.300     2.300     3.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.62252E-02 ppm1      6.852 ppm2      3.009 CV     1
 ASSI {  472}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.300     0.600     0.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.62892E-02 ppm1      3.488 ppm2      1.869 CV     1
 ASSI {  473}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.600     0.800     0.800 peak   473 spectrum    1 weight  0.10000E+01 volume  0.29658E-02 ppm1      0.989 ppm2      1.316 CV     1
 ASSI {  474}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.600     0.900     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.24668E-02 ppm1      2.859 ppm2      2.645 CV     1
 ASSI {  475}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     2.100     3.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.90030E-02 ppm1      2.955 ppm2      4.525 CV     1
 ASSI {  476}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HD3 ))
      3.400     1.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.49595E-03 ppm1      3.538 ppm2      2.649 CV     1
 ASSI {  479}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HB3 ))
      3.100     1.200     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.98834E-03 ppm1      7.673 ppm2      2.669 CV     1
 ASSI {  480}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      3.200     3.200     2.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.72095E-03 ppm1      4.477 ppm2      2.480 CV     1
 ASSI {  482}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
      2.400     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.38788E-02 ppm1      1.904 ppm2      2.218 CV     1
 ASSI {  484}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     2.400     3.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.41968E-02 ppm1      8.607 ppm2      4.179 CV     1
 ASSI {  485}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     2.600     3.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.27709E-02 ppm1      1.862 ppm2      4.178 CV     1
 ASSI {  486}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.73223E-03 ppm1      0.731 ppm2      4.470 CV     1
 ASSI {  488}
   (( segid "    " and resid 10   and name H   ))
   (( segid "    " and resid 11   and name H   ))
      2.300     0.700     0.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.53099E-02 ppm1      8.607 ppm2      7.671 CV     1
 ASSI {  489}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.58308E-03 ppm1      0.705 ppm2      4.402 CV     1
 ASSI {  491}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.80425E-02 ppm1      6.856 ppm2      2.947 CV     1
 ASSI {  492}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.600     1.700     1.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.35936E-03 ppm1      3.488 ppm2      1.108 CV     1
 ASSI {  493}
   (( segid "    " and resid 16   and name H   ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.400     1.400 peak   493 spectrum    1 weight  0.10000E+01 volume  0.60030E-03 ppm1      7.956 ppm2      1.465 CV     1
 ASSI {  494}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     1.400     1.400 peak   494 spectrum    1 weight  0.10000E+01 volume  0.63088E-03 ppm1      2.544 ppm2      3.114 CV     1
 ASSI {  495}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.200     2.200     3.800 peak   495 spectrum    1 weight  0.10000E+01 volume  0.77454E-02 ppm1      1.361 ppm2      1.655 CV     1
 ASSI {  497}
   (( segid "    " and resid 15   and name H   ))
   (( segid "    " and resid 14   and name HB3 ))
      3.500     1.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.48090E-03 ppm1      7.635 ppm2      3.225 CV     1
 ASSI {  498}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.700     1.700     1.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.32110E-03 ppm1      9.830 ppm2      1.322 CV     1
 ASSI {  499}
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     3.000     3.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      7.671 ppm2      4.177 CV     1
 ASSI {  504}
   (( segid "    " and resid 1    and name HD2 ))
   (( segid "    " and resid 1    and name HB2 ))
      4.000     2.000     2.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.20821E-03 ppm1      3.624 ppm2      2.213 CV     1
 ASSI {  506}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.900     1.100     1.100 peak   506 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      3.538 ppm2      1.323 CV     1
 ASSI {  507}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.28640E-02 ppm1      1.695 ppm2      4.119 CV     1
 ASSI {  508}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20649E-03 ppm1      9.830 ppm2      4.478 CV     1
 ASSI {  509}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.25218E-03 ppm1      2.917 ppm2      3.901 CV     1
 ASSI {  510}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak   510 spectrum    1 weight  0.10000E+01 volume  0.59502E-03 ppm1      3.903 ppm2      2.857 CV     1
 OR {  510}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  511}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.000     2.000     2.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20360E-03 ppm1     10.118 ppm2      4.249 CV     1
 ASSI {  512}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     3.400     2.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.57552E-03 ppm1      9.831 ppm2      2.495 CV     1
 ASSI {  513}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     2.800     3.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.16691E-02 ppm1      3.478 ppm2      1.493 CV     1
 ASSI {  514}
   (( segid "    " and resid 1    and name HG3 ))
   (( segid "    " and resid 1    and name HB2 ))
      2.600     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.24567E-02 ppm1      1.957 ppm2      2.216 CV     1
 ASSI {  515}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.19035E-02 ppm1      3.539 ppm2      1.486 CV     1
 ASSI {  516}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.36809E-02 ppm1      0.728 ppm2      1.699 CV     1
 ASSI {  518}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 3    and name HB  ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.92721E-03 ppm1      8.295 ppm2      1.696 CV     1
 ASSI {  519}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HB3 ))
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.27902E-03 ppm1     10.117 ppm2      3.226 CV     1
 ASSI {  520}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.26347E-03 ppm1      2.141 ppm2      4.535 CV     1
 ASSI {  521}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   521 spectrum    1 weight  0.10000E+01 volume  0.69137E-02 ppm1      3.217 ppm2      4.628 CV     1
 ASSI {  522}
   (( segid "    " and resid 3    and name H   ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.21731E-02 ppm1      8.238 ppm2      4.454 CV     1
 ASSI {  525}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.52819E-02 ppm1      2.139 ppm2      4.180 CV     1
 ASSI {  526}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.900     2.900     3.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      6.950 ppm2      1.325 CV     1
 ASSI {  527}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.300     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.58914E-03 ppm1      3.099 ppm2      0.990 CV     1
 ASSI {  528}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HD3 ))
      3.600     1.600     1.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.37918E-03 ppm1      2.654 ppm2      3.460 CV     1
 ASSI {  529}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.700     1.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.35488E-03 ppm1      3.218 ppm2      4.474 CV     1
 ASSI {  530}
   (( segid "    " and resid 11   and name HZ3 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.200     3.200     2.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.76239E-03 ppm1      6.951 ppm2      1.110 CV     1
 ASSI {  532}
   (( segid "    " and resid 11   and name HE3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     2.800     3.200 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18058E-02 ppm1      7.343 ppm2      4.914 CV     1
 ASSI {  533}
   (( segid "    " and resid 4    and name H   ))
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.700     0.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.50462E-02 ppm1      8.296 ppm2      4.116 CV     1
 ASSI {  537}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.900     1.900     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.24006E-03 ppm1      4.117 ppm2      2.638 CV     1
 ASSI {  538}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.000     0.500     0.500 peak   538 spectrum    1 weight  0.10000E+01 volume  0.11811E-01 ppm1      1.392 ppm2      1.658 CV     1
 ASSI {  539}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.48833E-03 ppm1      4.478 ppm2      3.900 CV     1
 ASSI {  540}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      1.800     0.400     0.400 peak   540 spectrum    1 weight  0.10000E+01 volume  0.23441E-01 ppm1      0.707 ppm2      1.698 CV     1
 ASSI {  543}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.700     3.700     2.300 peak   543 spectrum    1 weight  0.10000E+01 volume  0.31815E-03 ppm1      3.098 ppm2      0.718 CV     1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1  -2.463  -1.831  -8.044
    2    H3   PRO   1           HT2      PRO   1  -1.514  -0.935  -9.031
    3    HA   PRO   1           HA       PRO   1   0.135  -2.039  -8.339
    4    HB2  PRO   1           HB2      PRO   1   0.142  -1.331  -5.528
    5    HB3  PRO   1           HB3      PRO   1   1.238  -0.803  -6.812
    6    HG2  PRO   1           HG2      PRO   1  -0.581   0.845  -5.654
    7    HG3  PRO   1           HG3      PRO   1  -0.032   1.021  -7.328
    8    HD2  PRO   1           HD2      PRO   1  -2.549  -0.246  -6.283
    9    HD3  PRO   1           HD3      PRO   1  -2.344   0.867  -7.648
   10    H    SER   2           H        SER   2   0.988  -3.532  -6.389
   11    HA   SER   2           HA       SER   2  -0.997  -5.595  -6.120
   12    HB2  SER   2           HB2      SER   2   1.813  -5.470  -4.995
   13    HB3  SER   2           HB3      SER   2   0.804  -6.911  -5.127
   14    HG   SER   2           HG       SER   2   2.234  -6.823  -6.864
   15    H    ILE   3           H        ILE   3  -2.590  -5.027  -4.703
   16    HA   ILE   3           HA       ILE   3  -2.002  -3.792  -2.176
   17    HB   ILE   3           HB       ILE   3  -4.576  -5.142  -2.980
   18   HG12  ILE   3          HG12      ILE   3  -3.788  -2.240  -3.314
   19   HG13  ILE   3          HG13      ILE   3  -3.889  -3.408  -4.628
   20   HG21  ILE   3          HG21      ILE   3  -4.344  -4.679  -0.596
   21   HG22  ILE   3          HG22      ILE   3  -5.585  -3.664  -1.327
   22   HG23  ILE   3          HG23      ILE   3  -4.000  -2.989  -0.954
   23   HD11  ILE   3          HD11      ILE   3  -6.168  -2.475  -2.901
   24   HD12  ILE   3          HD12      ILE   3  -6.281  -3.676  -4.188
   25   HD13  ILE   3          HD13      ILE   3  -5.853  -2.010  -4.573
   26    H    HCS   4           H        HCS   4  -0.645  -5.109  -1.076
   27    HA   HCS   4           HA       HCS   4  -1.097  -7.891  -0.686
   28    HB2  HCS   4           HB1      HCS   4   0.600  -6.051   1.006
   29    HB3  HCS   4           HB2      HCS   4   0.741  -7.797   0.873
   30    HG2  HCS   4           HG1      HCS   4   1.364  -7.537  -1.495
   31    HG3  HCS   4           HG2      HCS   4   1.297  -5.793  -1.299
   32    H    HIS   5           H        HIS   5  -1.361  -5.085   1.411
   33    HA   HIS   5           HA       HIS   5  -3.793  -5.569   2.556
   34    HB2  HIS   5           HB2      HIS   5  -3.226  -6.425   4.823
   35    HB3  HIS   5           HB3      HIS   5  -2.962  -7.611   3.553
   36    HD1  HIS   5           HD1      HIS   5  -1.312  -6.038   6.388
   37    HD2  HIS   5           HD2      HIS   5  -0.160  -7.945   2.893
   38    HE1  HIS   5           HE1      HIS   5   1.080  -6.714   6.748
   39    HE2  HIS   5           HE2      HIS   5   1.666  -8.087   4.720
   40    H    VAL   6           H        VAL   6  -3.407  -3.350   1.937
   41    HA   VAL   6           HA       VAL   6  -1.718  -1.863   3.834
   42    HB   VAL   6           HB       VAL   6  -2.181  -0.482   1.314
   43   HG11  VAL   6          HG11      VAL   6   0.277  -0.193   1.443
   44   HG12  VAL   6          HG12      VAL   6   0.288  -1.223   2.877
   45   HG13  VAL   6          HG13      VAL   6  -0.570   0.321   2.902
   46   HG21  VAL   6          HG21      VAL   6  -2.110  -2.701   0.352
   47   HG22  VAL   6          HG22      VAL   6  -0.625  -3.060   1.232
   48   HG23  VAL   6          HG23      VAL   6  -0.627  -1.826  -0.029
   49    H    HIS   7           H        HIS   7  -2.314   0.568   3.729
   50    HA   HIS   7           HA       HIS   7  -4.999   0.859   4.582
   51    HB2  HIS   7           HB2      HIS   7  -3.211   2.177   5.549
   52    HB3  HIS   7           HB3      HIS   7  -2.846   2.890   3.990
   53    HD1  HIS   7           HD1      HIS   7  -5.404   3.015   6.743
   54    HD2  HIS   7           HD2      HIS   7  -4.303   5.096   3.323
   55    HE1  HIS   7           HE1      HIS   7  -6.698   5.165   6.823
   56    HE2  HIS   7           HE2      HIS   7  -5.872   6.485   4.848
   57    H    ARG   8           H        ARG   8  -3.368   2.595   1.875
   58    HA   ARG   8           HA       ARG   8  -5.914   3.179   0.679
   59    HB2  ARG   8           HB2      ARG   8  -3.224   3.521  -0.632
   60    HB3  ARG   8           HB3      ARG   8  -4.703   4.383  -0.986
   61    HG2  ARG   8           HG2      ARG   8  -4.519   5.216   1.438
   62    HG3  ARG   8           HG3      ARG   8  -2.833   4.718   1.293
   63    HD2  ARG   8           HD2      ARG   8  -4.300   6.709  -0.413
   64    HD3  ARG   8           HD3      ARG   8  -3.026   7.051   0.748
   65    HE   ARG   8           HE       ARG   8  -1.836   5.363  -1.009
   66   HH11  ARG   8          HH11      ARG   8  -3.579   8.378  -1.339
   67   HH12  ARG   8          HH12      ARG   8  -2.717   8.872  -2.762
   68   HH21  ARG   8          HH21      ARG   8  -0.657   6.039  -2.893
   69   HH22  ARG   8          HH22      ARG   8  -1.063   7.554  -3.634
   70    HA   PRO   9           HA       PRO   9  -5.796  -0.254  -2.151
   71    HB2  PRO   9           HB2      PRO   9  -7.758   0.627  -3.854
   72    HB3  PRO   9           HB3      PRO   9  -8.068  -0.112  -2.286
   73    HG2  PRO   9           HG2      PRO   9  -8.465   2.636  -3.106
   74    HG3  PRO   9           HG3      PRO   9  -8.970   1.842  -1.610
   75    HD2  PRO   9           HD2      PRO   9  -6.679   3.576  -2.098
   76    HD3  PRO   9           HD3      PRO   9  -7.356   3.030  -0.556
   77    H    ASP  10           H        ASP  10  -5.016   2.950  -3.015
   78    HA   ASP  10           HA       ASP  10  -4.397   2.284  -5.785
   79    HB2  ASP  10           HB2      ASP  10  -4.437   4.913  -4.305
   80    HB3  ASP  10           HB3      ASP  10  -3.910   4.742  -5.975
   81    H    TRP  11           H        TRP  11  -2.823   2.290  -2.818
   82    HA   TRP  11           HA       TRP  11  -0.259   2.744  -4.180
   83    HB2  TRP  11           HB2      TRP  11   0.666   3.626  -2.193
   84    HB3  TRP  11           HB3      TRP  11  -0.918   4.352  -2.347
   85    HD1  TRP  11           HD1      TRP  11  -1.711   1.120  -0.939
   86    HE1  TRP  11           HE1      TRP  11  -1.852   1.238   1.606
   87    HE3  TRP  11           HE3      TRP  11   0.584   5.613  -0.200
   88    HZ2  TRP  11           HZ2      TRP  11  -1.077   2.988   3.682
   89    HZ3  TRP  11           HZ3      TRP  11   0.848   6.435   2.100
   90    HH2  TRP  11           HH2      TRP  11   0.041   5.138   3.998
   91    HA   PRO  12           HA       PRO  12   0.936  -1.402  -3.284
   92    HB2  PRO  12           HB2      PRO  12   3.577  -1.223  -2.887
   93    HB3  PRO  12           HB3      PRO  12   2.860  -0.862  -4.461
   94    HG2  PRO  12           HG2      PRO  12   3.717   1.026  -2.300
   95    HG3  PRO  12           HG3      PRO  12   4.017   1.127  -4.032
   96    HD2  PRO  12           HD2      PRO  12   2.041   2.513  -2.802
   97    HD3  PRO  12           HD3      PRO  12   1.922   1.961  -4.482
   98    H    CYS  13           H        CYS  13   2.760  -2.551  -1.688
   99    HA   CYS  13           HA       CYS  13   1.764  -1.956   0.982
  100    HB2  CYS  13           HB2      CYS  13   2.673  -4.167   1.591
  101    HB3  CYS  13           HB3      CYS  13   1.541  -4.258   0.244
  102    H    TRP  14           H        TRP  14   4.093  -0.663  -0.662
  103    HA   TRP  14           HA       TRP  14   6.030  -0.662   1.540
  104    HB2  TRP  14           HB2      TRP  14   7.849  -0.603  -0.278
  105    HB3  TRP  14           HB3      TRP  14   7.077  -2.146   0.064
  106    HD1  TRP  14           HD1      TRP  14   5.442  -3.130  -1.795
  107    HE1  TRP  14           HE1      TRP  14   5.251  -2.708  -4.326
  108    HE3  TRP  14           HE3      TRP  14   8.067   1.226  -2.057
  109    HZ2  TRP  14           HZ2      TRP  14   6.083  -0.747  -6.182
  110    HZ3  TRP  14           HZ3      TRP  14   8.302   2.334  -4.231
  111    HH2  TRP  14           HH2      TRP  14   7.336   1.366  -6.253
  112    H    TYR  15           H        TYR  15   5.233   0.865  -1.558
  113    HA   TYR  15           HA       TYR  15   5.575   2.948  -2.371
  114    HB2  TYR  15           HB2      TYR  15   4.322   4.702  -0.939
  115    HB3  TYR  15           HB3      TYR  15   3.422   3.362  -1.634
  116    HD1  TYR  15           HD1      TYR  15   2.696   1.505  -0.228
  117    HD2  TYR  15           HD2      TYR  15   4.514   4.955   1.455
  118    HE1  TYR  15           HE1      TYR  15   1.880   0.845   1.975
  119    HE2  TYR  15           HE2      TYR  15   3.704   4.308   3.676
  120    HH   TYR  15           HH       TYR  15   2.428   1.229   4.339
  121    H    ARG  16           H        ARG  16   7.694   3.373  -2.451
  122    HA   ARG  16           HA       ARG  16   8.855   4.860  -0.194
  123    HB2  ARG  16           HB2      ARG  16  10.155   2.726  -1.895
  124    HB3  ARG  16           HB3      ARG  16  11.034   3.769  -0.787
  125    HG2  ARG  16           HG2      ARG  16  10.065   2.775   1.095
  126    HG3  ARG  16           HG3      ARG  16   8.771   2.032   0.150
  127    HD2  ARG  16           HD2      ARG  16  10.584   0.464   0.907
  128    HD3  ARG  16           HD3      ARG  16  10.274   0.469  -0.830
  129    HE   ARG  16           HE       ARG  16  12.352   2.297  -0.186
  130   HH11  ARG  16          HH11      ARG  16  11.732  -1.142  -0.411
  131   HH12  ARG  16          HH12      ARG  16  13.362  -1.529  -0.867
  132   HH21  ARG  16          HH21      ARG  16  14.502   1.784  -0.780
  133   HH22  ARG  16          HH22      ARG  16  14.941   0.125  -1.057
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1  -1.772  -1.323  -8.071
    2    H3   PRO   1           HT2      PRO   1  -0.767  -1.185  -9.352
    3    HA   PRO   1           HA       PRO   1   0.883  -2.084  -8.377
    4    HB2  PRO   1           HB2      PRO   1   0.781  -1.443  -5.630
    5    HB3  PRO   1           HB3      PRO   1   1.873  -0.764  -6.848
    6    HG2  PRO   1           HG2      PRO   1  -0.691   0.294  -5.798
    7    HG3  PRO   1           HG3      PRO   1   0.729   1.171  -6.392
    8    HD2  PRO   1           HD2      PRO   1  -1.496   1.028  -7.856
    9    HD3  PRO   1           HD3      PRO   1   0.100   0.936  -8.624
   10    H    SER   2           H        SER   2   1.252  -3.586  -6.279
   11    HA   SER   2           HA       SER   2  -1.037  -5.356  -6.265
   12    HB2  SER   2           HB2      SER   2   1.684  -5.706  -4.988
   13    HB3  SER   2           HB3      SER   2   0.464  -6.960  -5.203
   14    HG   SER   2           HG       SER   2   1.997  -7.087  -6.857
   15    H    ILE   3           H        ILE   3  -2.578  -5.071  -4.803
   16    HA   ILE   3           HA       ILE   3  -2.095  -3.727  -2.304
   17    HB   ILE   3           HB       ILE   3  -4.580  -5.234  -3.129
   18   HG12  ILE   3          HG12      ILE   3  -4.021  -2.283  -3.454
   19   HG13  ILE   3          HG13      ILE   3  -3.930  -3.451  -4.768
   20   HG21  ILE   3          HG21      ILE   3  -4.131  -3.049  -1.103
   21   HG22  ILE   3          HG22      ILE   3  -4.434  -4.748  -0.748
   22   HG23  ILE   3          HG23      ILE   3  -5.690  -3.769  -1.506
   23   HD11  ILE   3          HD11      ILE   3  -6.390  -2.757  -3.173
   24   HD12  ILE   3          HD12      ILE   3  -6.313  -3.945  -4.475
   25   HD13  ILE   3          HD13      ILE   3  -6.027  -2.239  -4.818
   26    H    HCS   4           H        HCS   4  -0.924  -4.844  -0.850
   27    HA   HCS   4           HA       HCS   4  -1.208  -7.706  -0.597
   28    HB2  HCS   4           HB1      HCS   4   0.438  -5.799   1.060
   29    HB3  HCS   4           HB2      HCS   4   0.579  -7.550   1.045
   30    HG2  HCS   4           HG1      HCS   4   1.178  -7.408  -1.366
   31    HG3  HCS   4           HG2      HCS   4   1.198  -5.661  -1.207
   32    H    HIS   5           H        HIS   5  -1.687  -4.890   1.460
   33    HA   HIS   5           HA       HIS   5  -4.137  -5.488   2.506
   34    HB2  HIS   5           HB2      HIS   5  -3.724  -6.397   4.735
   35    HB3  HIS   5           HB3      HIS   5  -3.128  -7.505   3.510
   36    HD1  HIS   5           HD1      HIS   5  -2.109  -5.713   6.523
   37    HD2  HIS   5           HD2      HIS   5  -0.249  -7.525   3.285
   38    HE1  HIS   5           HE1      HIS   5   0.282  -6.034   7.217
   39    HE2  HIS   5           HE2      HIS   5   1.352  -7.278   5.304
   40    H    VAL   6           H        VAL   6  -3.052  -3.297   1.670
   41    HA   VAL   6           HA       VAL   6  -1.718  -1.857   3.826
   42    HB   VAL   6           HB       VAL   6  -2.112  -0.433   1.298
   43   HG11  VAL   6          HG11      VAL   6  -0.610   0.373   3.016
   44   HG12  VAL   6          HG12      VAL   6   0.287  -0.027   1.552
   45   HG13  VAL   6          HG13      VAL   6   0.325  -1.124   2.932
   46   HG21  VAL   6          HG21      VAL   6  -0.509  -2.987   1.305
   47   HG22  VAL   6          HG22      VAL   6  -0.442  -1.752   0.047
   48   HG23  VAL   6          HG23      VAL   6  -1.939  -2.641   0.332
   49    H    HIS   7           H        HIS   7  -2.268   0.518   3.956
   50    HA   HIS   7           HA       HIS   7  -4.899   0.915   4.768
   51    HB2  HIS   7           HB2      HIS   7  -3.077   2.276   5.600
   52    HB3  HIS   7           HB3      HIS   7  -2.775   2.911   3.993
   53    HD1  HIS   7           HD1      HIS   7  -5.167   3.213   6.867
   54    HD2  HIS   7           HD2      HIS   7  -4.335   5.013   3.212
   55    HE1  HIS   7           HE1      HIS   7  -6.518   5.331   6.843
   56    HE2  HIS   7           HE2      HIS   7  -6.172   6.283   4.534
   57    H    ARG   8           H        ARG   8  -3.364   2.453   1.903
   58    HA   ARG   8           HA       ARG   8  -5.961   3.058   0.810
   59    HB2  ARG   8           HB2      ARG   8  -3.267   3.345  -0.519
   60    HB3  ARG   8           HB3      ARG   8  -4.766   4.095  -1.015
   61    HG2  ARG   8           HG2      ARG   8  -4.747   5.349   1.155
   62    HG3  ARG   8           HG3      ARG   8  -3.109   4.720   1.397
   63    HD2  ARG   8           HD2      ARG   8  -2.298   5.807  -0.521
   64    HD3  ARG   8           HD3      ARG   8  -3.922   6.164  -1.089
   65    HE   ARG   8           HE       ARG   8  -3.790   7.476   1.271
   66   HH11  ARG   8          HH11      ARG   8  -1.696   7.445  -1.542
   67   HH12  ARG   8          HH12      ARG   8  -1.254   9.111  -1.384
   68   HH21  ARG   8          HH21      ARG   8  -3.206   9.655   1.487
   69   HH22  ARG   8          HH22      ARG   8  -2.111  10.377   0.352
   70    HA   PRO   9           HA       PRO   9  -5.880  -0.464  -1.954
   71    HB2  PRO   9           HB2      PRO   9  -7.936   0.185  -3.542
   72    HB3  PRO   9           HB3      PRO   9  -8.180  -0.243  -1.847
   73    HG2  PRO   9           HG2      PRO   9  -8.316   2.405  -3.158
   74    HG3  PRO   9           HG3      PRO   9  -9.142   1.825  -1.704
   75    HD2  PRO   9           HD2      PRO   9  -6.771   3.414  -1.853
   76    HD3  PRO   9           HD3      PRO   9  -7.543   2.763  -0.400
   77    H    ASP  10           H        ASP  10  -5.030   2.665  -2.797
   78    HA   ASP  10           HA       ASP  10  -4.616   2.052  -5.624
   79    HB2  ASP  10           HB2      ASP  10  -4.514   4.660  -4.105
   80    HB3  ASP  10           HB3      ASP  10  -4.137   4.507  -5.815
   81    H    TRP  11           H        TRP  11  -2.904   2.315  -2.679
   82    HA   TRP  11           HA       TRP  11  -0.398   2.732  -4.140
   83    HB2  TRP  11           HB2      TRP  11   0.552   3.692  -2.184
   84    HB3  TRP  11           HB3      TRP  11  -1.054   4.368  -2.326
   85    HD1  TRP  11           HD1      TRP  11  -1.842   1.211  -0.847
   86    HE1  TRP  11           HE1      TRP  11  -1.882   1.340   1.704
   87    HE3  TRP  11           HE3      TRP  11   0.616   5.633  -0.228
   88    HZ2  TRP  11           HZ2      TRP  11  -0.980   3.094   3.740
   89    HZ3  TRP  11           HZ3      TRP  11   0.995   6.467   2.052
   90    HH2  TRP  11           HH2      TRP  11   0.213   5.213   3.996
   91    HA   PRO  12           HA       PRO  12   0.920  -1.363  -3.237
   92    HB2  PRO  12           HB2      PRO  12   3.578  -1.127  -2.940
   93    HB3  PRO  12           HB3      PRO  12   2.793  -0.790  -4.489
   94    HG2  PRO  12           HG2      PRO  12   3.699   1.127  -2.371
   95    HG3  PRO  12           HG3      PRO  12   3.922   1.222  -4.114
   96    HD2  PRO  12           HD2      PRO  12   1.967   2.571  -2.800
   97    HD3  PRO  12           HD3      PRO  12   1.798   2.025  -4.477
   98    H    CYS  13           H        CYS  13   2.751  -2.498  -1.680
   99    HA   CYS  13           HA       CYS  13   1.845  -1.833   1.013
  100    HB2  CYS  13           HB2      CYS  13   2.660  -4.059   1.633
  101    HB3  CYS  13           HB3      CYS  13   1.515  -4.136   0.296
  102    H    TRP  14           H        TRP  14   4.095  -0.577  -0.670
  103    HA   TRP  14           HA       TRP  14   6.097  -0.602   1.461
  104    HB2  TRP  14           HB2      TRP  14   7.883  -0.603  -0.373
  105    HB3  TRP  14           HB3      TRP  14   7.078  -2.130  -0.029
  106    HD1  TRP  14           HD1      TRP  14   5.417  -3.077  -1.886
  107    HE1  TRP  14           HE1      TRP  14   5.210  -2.616  -4.405
  108    HE3  TRP  14           HE3      TRP  14   8.117   1.240  -2.124
  109    HZ2  TRP  14           HZ2      TRP  14   6.072  -0.660  -6.246
  110    HZ3  TRP  14           HZ3      TRP  14   8.363   2.361  -4.282
  111    HH2  TRP  14           HH2      TRP  14   7.364   1.427  -6.310
  112    H    TYR  15           H        TYR  15   5.186   0.886  -1.616
  113    HA   TYR  15           HA       TYR  15   5.529   2.961  -2.469
  114    HB2  TYR  15           HB2      TYR  15   4.327   4.715  -0.995
  115    HB3  TYR  15           HB3      TYR  15   3.412   3.375  -1.658
  116    HD1  TYR  15           HD1      TYR  15   2.682   1.544  -0.251
  117    HD2  TYR  15           HD2      TYR  15   4.662   4.917   1.412
  118    HE1  TYR  15           HE1      TYR  15   1.941   0.873   1.968
  119    HE2  TYR  15           HE2      TYR  15   3.925   4.246   3.654
  120    HH   TYR  15           HH       TYR  15   2.727   1.213   4.367
  121    H    ARG  16           H        ARG  16   7.715   3.224  -2.550
  122    HA   ARG  16           HA       ARG  16   8.906   4.818  -0.382
  123    HB2  ARG  16           HB2      ARG  16  10.236   2.511  -1.821
  124    HB3  ARG  16           HB3      ARG  16  10.949   3.490  -0.549
  125    HG2  ARG  16           HG2      ARG  16   9.450   2.613   1.082
  126    HG3  ARG  16           HG3      ARG  16   8.477   1.828  -0.158
  127    HD2  ARG  16           HD2      ARG  16   9.940   0.239   1.020
  128    HD3  ARG  16           HD3      ARG  16  10.285   0.334  -0.708
  129    HE   ARG  16           HE       ARG  16  11.944   2.121   0.733
  130   HH11  ARG  16          HH11      ARG  16  11.529  -1.279   0.025
  131   HH12  ARG  16          HH12      ARG  16  13.193  -1.675   0.317
  132   HH21  ARG  16          HH21      ARG  16  14.145   1.628   1.052
  133   HH22  ARG  16          HH22      ARG  16  14.690  -0.010   0.875
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1  -1.489  -1.587  -8.486
    2    H3   PRO   1           HT2      PRO   1  -0.312  -1.461  -9.609
    3    HA   PRO   1           HA       PRO   1   1.303  -1.761  -8.244
    4    HB2  PRO   1           HB2      PRO   1   0.373  -0.906  -5.684
    5    HB3  PRO   1           HB3      PRO   1   1.640  -0.181  -6.683
    6    HG2  PRO   1           HG2      PRO   1  -1.216   0.542  -6.448
    7    HG3  PRO   1           HG3      PRO   1   0.167   1.551  -6.902
    8    HD2  PRO   1           HD2      PRO   1  -1.627   0.790  -8.730
    9    HD3  PRO   1           HD3      PRO   1   0.100   0.871  -9.127
   10    H    SER   2           H        SER   2   1.718  -3.171  -6.282
   11    HA   SER   2           HA       SER   2  -0.244  -5.296  -6.273
   12    HB2  SER   2           HB2      SER   2   2.436  -5.158  -4.868
   13    HB3  SER   2           HB3      SER   2   1.465  -6.604  -5.148
   14    HG   SER   2           HG       SER   2   2.417  -6.757  -7.006
   15    H    ILE   3           H        ILE   3  -1.921  -5.022  -4.963
   16    HA   ILE   3           HA       ILE   3  -1.640  -3.597  -2.447
   17    HB   ILE   3           HB       ILE   3  -4.134  -4.855  -3.593
   18   HG12  ILE   3          HG12      ILE   3  -3.194  -1.992  -3.861
   19   HG13  ILE   3          HG13      ILE   3  -3.106  -3.193  -5.147
   20   HG21  ILE   3          HG21      ILE   3  -5.278  -3.251  -2.131
   21   HG22  ILE   3          HG22      ILE   3  -3.717  -2.693  -1.530
   22   HG23  ILE   3          HG23      ILE   3  -4.242  -4.348  -1.214
   23   HD11  ILE   3          HD11      ILE   3  -5.023  -1.728  -5.414
   24   HD12  ILE   3          HD12      ILE   3  -5.623  -2.213  -3.831
   25   HD13  ILE   3          HD13      ILE   3  -5.523  -3.394  -5.132
   26    H    HCS   4           H        HCS   4  -0.785  -4.788  -0.876
   27    HA   HCS   4           HA       HCS   4  -1.358  -7.611  -0.638
   28    HB2  HCS   4           HB1      HCS   4   0.293  -5.857   1.180
   29    HB3  HCS   4           HB2      HCS   4   0.288  -7.614   1.135
   30    HG2  HCS   4           HG1      HCS   4   1.168  -7.537  -1.156
   31    HG3  HCS   4           HG2      HCS   4   1.215  -5.784  -1.064
   32    H    HIS   5           H        HIS   5  -1.804  -4.691   1.271
   33    HA   HIS   5           HA       HIS   5  -4.442  -5.243   1.932
   34    HB2  HIS   5           HB2      HIS   5  -4.255  -5.559   4.408
   35    HB3  HIS   5           HB3      HIS   5  -3.674  -6.931   3.484
   36    HD1  HIS   5           HD1      HIS   5  -2.709  -4.652   6.148
   37    HD2  HIS   5           HD2      HIS   5  -0.784  -7.108   3.409
   38    HE1  HIS   5           HE1      HIS   5  -0.371  -4.933   7.028
   39    HE2  HIS   5           HE2      HIS   5   0.736  -6.541   5.429
   40    H    VAL   6           H        VAL   6  -1.866  -3.845   3.851
   41    HA   VAL   6           HA       VAL   6  -1.327  -1.731   4.453
   42    HB   VAL   6           HB       VAL   6  -2.131  -0.534   1.896
   43   HG11  VAL   6          HG11      VAL   6   0.095   0.299   1.936
   44   HG12  VAL   6          HG12      VAL   6   0.585  -0.880   3.156
   45   HG13  VAL   6          HG13      VAL   6  -0.544   0.410   3.578
   46   HG21  VAL   6          HG21      VAL   6  -1.774  -2.831   1.122
   47   HG22  VAL   6          HG22      VAL   6  -0.184  -2.843   1.886
   48   HG23  VAL   6          HG23      VAL   6  -0.509  -1.750   0.538
   49    H    HIS   7           H        HIS   7  -2.317   0.742   3.428
   50    HA   HIS   7           HA       HIS   7  -4.867   0.904   4.842
   51    HB2  HIS   7           HB2      HIS   7  -3.164   2.424   5.635
   52    HB3  HIS   7           HB3      HIS   7  -2.864   3.004   4.007
   53    HD1  HIS   7           HD1      HIS   7  -5.660   3.040   6.582
   54    HD2  HIS   7           HD2      HIS   7  -4.235   5.239   3.353
   55    HE1  HIS   7           HE1      HIS   7  -7.067   5.119   6.506
   56    HE2  HIS   7           HE2      HIS   7  -6.057   6.524   4.670
   57    H    ARG   8           H        ARG   8  -3.383   2.256   1.883
   58    HA   ARG   8           HA       ARG   8  -5.976   3.073   0.889
   59    HB2  ARG   8           HB2      ARG   8  -3.410   3.132  -0.676
   60    HB3  ARG   8           HB3      ARG   8  -4.810   4.159  -0.863
   61    HG2  ARG   8           HG2      ARG   8  -3.648   4.429   1.753
   62    HG3  ARG   8           HG3      ARG   8  -2.477   4.742   0.484
   63    HD2  ARG   8           HD2      ARG   8  -5.024   6.179   1.096
   64    HD3  ARG   8           HD3      ARG   8  -3.391   6.804   0.889
   65    HE   ARG   8           HE       ARG   8  -4.890   5.728  -1.409
   66   HH11  ARG   8          HH11      ARG   8  -3.137   8.315   0.177
   67   HH12  ARG   8          HH12      ARG   8  -3.138   9.349  -1.214
   68   HH21  ARG   8          HH21      ARG   8  -4.901   7.083  -3.236
   69   HH22  ARG   8          HH22      ARG   8  -4.143   8.642  -3.162
   70    HA   PRO   9           HA       PRO   9  -6.185  -0.394  -1.990
   71    HB2  PRO   9           HB2      PRO   9  -8.340   0.392  -3.376
   72    HB3  PRO   9           HB3      PRO   9  -8.471  -0.148  -1.698
   73    HG2  PRO   9           HG2      PRO   9  -8.627   2.591  -2.814
   74    HG3  PRO   9           HG3      PRO   9  -9.390   1.925  -1.364
   75    HD2  PRO   9           HD2      PRO   9  -7.014   3.488  -1.509
   76    HD3  PRO   9           HD3      PRO   9  -7.696   2.701  -0.076
   77    H    ASP  10           H        ASP  10  -4.973   2.544  -2.516
   78    HA   ASP  10           HA       ASP  10  -4.946   2.422  -5.447
   79    HB2  ASP  10           HB2      ASP  10  -3.800   4.729  -3.937
   80    HB3  ASP  10           HB3      ASP  10  -4.616   4.707  -5.488
   81    H    TRP  11           H        TRP  11  -2.999   1.939  -2.663
   82    HA   TRP  11           HA       TRP  11  -0.558   2.376  -4.237
   83    HB2  TRP  11           HB2      TRP  11   0.504   3.382  -2.364
   84    HB3  TRP  11           HB3      TRP  11  -1.104   4.082  -2.441
   85    HD1  TRP  11           HD1      TRP  11  -1.668   0.889  -0.807
   86    HE1  TRP  11           HE1      TRP  11  -1.716   1.186   1.723
   87    HE3  TRP  11           HE3      TRP  11   0.400   5.543  -0.497
   88    HZ2  TRP  11           HZ2      TRP  11  -0.991   3.142   3.637
   89    HZ3  TRP  11           HZ3      TRP  11   0.674   6.563   1.720
   90    HH2  TRP  11           HH2      TRP  11   0.002   5.384   3.743
   91    HA   PRO  12           HA       PRO  12   0.812  -1.698  -3.132
   92    HB2  PRO  12           HB2      PRO  12   3.469  -1.432  -2.829
   93    HB3  PRO  12           HB3      PRO  12   2.686  -1.257  -4.400
   94    HG2  PRO  12           HG2      PRO  12   3.628   0.867  -2.504
   95    HG3  PRO  12           HG3      PRO  12   3.784   0.795  -4.259
   96    HD2  PRO  12           HD2      PRO  12   1.875   2.258  -2.985
   97    HD3  PRO  12           HD3      PRO  12   1.663   1.593  -4.612
   98    H    CYS  13           H        CYS  13   2.725  -2.703  -1.497
   99    HA   CYS  13           HA       CYS  13   1.751  -1.896   1.138
  100    HB2  CYS  13           HB2      CYS  13   2.587  -4.063   1.922
  101    HB3  CYS  13           HB3      CYS  13   1.463  -4.253   0.582
  102    H    TRP  14           H        TRP  14   4.012  -0.688  -0.565
  103    HA   TRP  14           HA       TRP  14   5.953  -0.525   1.614
  104    HB2  TRP  14           HB2      TRP  14   7.820  -0.706  -0.102
  105    HB3  TRP  14           HB3      TRP  14   6.971  -2.198   0.282
  106    HD1  TRP  14           HD1      TRP  14   5.394  -3.229  -1.625
  107    HE1  TRP  14           HE1      TRP  14   5.338  -2.885  -4.178
  108    HE3  TRP  14           HE3      TRP  14   8.170   1.017  -1.886
  109    HZ2  TRP  14           HZ2      TRP  14   6.345  -1.010  -6.055
  110    HZ3  TRP  14           HZ3      TRP  14   8.572   2.049  -4.065
  111    HH2  TRP  14           HH2      TRP  14   7.673   1.054  -6.118
  112    H    TYR  15           H        TYR  15   5.191   0.680  -1.649
  113    HA   TYR  15           HA       TYR  15   5.477   2.707  -2.643
  114    HB2  TYR  15           HB2      TYR  15   4.233   4.551  -1.310
  115    HB3  TYR  15           HB3      TYR  15   3.341   3.166  -1.920
  116    HD1  TYR  15           HD1      TYR  15   2.715   1.339  -0.398
  117    HD2  TYR  15           HD2      TYR  15   4.371   4.970   1.064
  118    HE1  TYR  15           HE1      TYR  15   1.934   0.787   1.838
  119    HE2  TYR  15           HE2      TYR  15   3.582   4.425   3.325
  120    HH   TYR  15           HH       TYR  15   1.952   3.064   4.424
  121    H    ARG  16           H        ARG  16   7.654   3.061  -2.721
  122    HA   ARG  16           HA       ARG  16   8.709   5.087  -0.915
  123    HB2  ARG  16           HB2      ARG  16   9.993   2.380  -1.319
  124    HB3  ARG  16           HB3      ARG  16  10.773   3.738  -0.517
  125    HG2  ARG  16           HG2      ARG  16   9.412   3.583   1.335
  126    HG3  ARG  16           HG3      ARG  16   8.131   2.774   0.437
  127    HD2  ARG  16           HD2      ARG  16   9.571   0.773   0.247
  128    HD3  ARG  16           HD3      ARG  16  10.764   1.575   1.282
  129    HE   ARG  16           HE       ARG  16   8.096   1.431   2.394
  130   HH11  ARG  16          HH11      ARG  16  11.212  -0.153   2.143
  131   HH12  ARG  16          HH12      ARG  16  10.989  -1.081   3.591
  132   HH21  ARG  16          HH21      ARG  16   7.810   0.220   4.300
  133   HH22  ARG  16          HH22      ARG  16   9.057  -0.873   4.819
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1  -2.171  -3.035  -7.624
    2    H3   PRO   1           HT2      PRO   1  -1.641  -2.475  -9.058
    3    HA   PRO   1           HA       PRO   1   0.286  -2.171  -8.311
    4    HB2  PRO   1           HB2      PRO   1  -0.363  -0.634  -5.886
    5    HB3  PRO   1           HB3      PRO   1   0.676  -0.206  -7.255
    6    HG2  PRO   1           HG2      PRO   1  -1.737   0.904  -6.956
    7    HG3  PRO   1           HG3      PRO   1  -1.089   0.497  -8.558
    8    HD2  PRO   1           HD2      PRO   1  -3.093  -1.000  -6.893
    9    HD3  PRO   1           HD3      PRO   1  -3.120  -0.644  -8.631
   10    H    SER   2           H        SER   2  -1.422  -4.344  -7.282
   11    HA   SER   2           HA       SER   2  -1.292  -6.121  -5.915
   12    HB2  SER   2           HB2      SER   2   1.486  -5.103  -5.305
   13    HB3  SER   2           HB3      SER   2   0.888  -6.739  -5.036
   14    HG   SER   2           HG       SER   2   2.118  -6.069  -7.102
   15    H    ILE   3           H        ILE   3  -2.914  -5.302  -4.532
   16    HA   ILE   3           HA       ILE   3  -2.134  -3.872  -2.154
   17    HB   ILE   3           HB       ILE   3  -4.779  -5.189  -2.733
   18   HG12  ILE   3          HG12      ILE   3  -3.932  -2.323  -3.205
   19   HG13  ILE   3          HG13      ILE   3  -4.155  -3.524  -4.468
   20   HG21  ILE   3          HG21      ILE   3  -4.343  -4.660  -0.371
   21   HG22  ILE   3          HG22      ILE   3  -5.660  -3.693  -1.039
   22   HG23  ILE   3          HG23      ILE   3  -4.067  -2.973  -0.816
   23   HD11  ILE   3          HD11      ILE   3  -6.291  -2.460  -2.638
   24   HD12  ILE   3          HD12      ILE   3  -6.526  -3.675  -3.892
   25   HD13  ILE   3          HD13      ILE   3  -6.058  -2.032  -4.332
   26    H    HCS   4           H        HCS   4  -0.636  -5.270  -1.307
   27    HA   HCS   4           HA       HCS   4  -1.049  -7.970  -0.655
   28    HB2  HCS   4           HB1      HCS   4   0.728  -6.029   0.822
   29    HB3  HCS   4           HB2      HCS   4   0.908  -7.772   0.733
   30    HG2  HCS   4           HG1      HCS   4   1.348  -7.578  -1.671
   31    HG3  HCS   4           HG2      HCS   4   1.233  -5.833  -1.540
   32    H    HIS   5           H        HIS   5  -1.138  -5.089   1.364
   33    HA   HIS   5           HA       HIS   5  -3.506  -5.582   2.669
   34    HB2  HIS   5           HB2      HIS   5  -2.757  -6.271   4.939
   35    HB3  HIS   5           HB3      HIS   5  -2.532  -7.523   3.728
   36    HD1  HIS   5           HD1      HIS   5  -0.752  -5.631   6.298
   37    HD2  HIS   5           HD2      HIS   5   0.232  -7.870   2.946
   38    HE1  HIS   5           HE1      HIS   5   1.680  -6.199   6.563
   39    HE2  HIS   5           HE2      HIS   5   2.218  -7.665   4.589
   40    H    VAL   6           H        VAL   6  -3.126  -3.410   1.816
   41    HA   VAL   6           HA       VAL   6  -1.517  -1.752   3.627
   42    HB   VAL   6           HB       VAL   6  -2.127  -0.388   1.173
   43   HG11  VAL   6          HG11      VAL   6  -0.401   0.297   2.705
   44   HG12  VAL   6          HG12      VAL   6   0.326  -0.125   1.155
   45   HG13  VAL   6          HG13      VAL   6   0.430  -1.249   2.513
   46   HG21  VAL   6          HG21      VAL   6  -0.727  -1.711  -0.342
   47   HG22  VAL   6          HG22      VAL   6  -2.174  -2.591   0.148
   48   HG23  VAL   6          HG23      VAL   6  -0.620  -2.980   0.881
   49    H    HIS   7           H        HIS   7  -2.268   0.594   3.636
   50    HA   HIS   7           HA       HIS   7  -4.973   0.664   4.501
   51    HB2  HIS   7           HB2      HIS   7  -3.356   2.029   5.633
   52    HB3  HIS   7           HB3      HIS   7  -2.913   2.833   4.135
   53    HD1  HIS   7           HD1      HIS   7  -5.759   2.662   6.627
   54    HD2  HIS   7           HD2      HIS   7  -4.363   5.042   3.513
   55    HE1  HIS   7           HE1      HIS   7  -7.188   4.725   6.666
   56    HE2  HIS   7           HE2      HIS   7  -6.427   6.091   4.692
   57    H    ARG   8           H        ARG   8  -3.384   2.623   1.933
   58    HA   ARG   8           HA       ARG   8  -5.932   3.273   0.789
   59    HB2  ARG   8           HB2      ARG   8  -3.225   3.661  -0.492
   60    HB3  ARG   8           HB3      ARG   8  -4.708   4.519  -0.854
   61    HG2  ARG   8           HG2      ARG   8  -4.525   5.187   1.679
   62    HG3  ARG   8           HG3      ARG   8  -2.815   4.872   1.385
   63    HD2  ARG   8           HD2      ARG   8  -4.612   6.936   0.213
   64    HD3  ARG   8           HD3      ARG   8  -3.010   7.116   0.902
   65    HE   ARG   8           HE       ARG   8  -3.496   5.866  -1.740
   66   HH11  ARG   8          HH11      ARG   8  -1.683   8.010   0.368
   67   HH12  ARG   8          HH12      ARG   8  -0.585   8.512  -0.872
   68   HH21  ARG   8          HH21      ARG   8  -2.057   6.531  -3.381
   69   HH22  ARG   8          HH22      ARG   8  -0.793   7.672  -3.007
   70    HA   PRO   9           HA       PRO   9  -5.980  -0.134  -2.059
   71    HB2  PRO   9           HB2      PRO   9  -8.028   0.610  -3.603
   72    HB3  PRO   9           HB3      PRO   9  -8.261   0.245  -1.891
   73    HG2  PRO   9           HG2      PRO   9  -8.212   2.873  -3.267
   74    HG3  PRO   9           HG3      PRO   9  -9.097   2.379  -1.816
   75    HD2  PRO   9           HD2      PRO   9  -6.638   3.805  -1.941
   76    HD3  PRO   9           HD3      PRO   9  -7.441   3.184  -0.490
   77    H    ASP  10           H        ASP  10  -4.872   2.889  -2.920
   78    HA   ASP  10           HA       ASP  10  -4.565   2.205  -5.756
   79    HB2  ASP  10           HB2      ASP  10  -4.305   4.544  -6.172
   80    HB3  ASP  10           HB3      ASP  10  -5.724   4.340  -5.156
   81    H    TRP  11           H        TRP  11  -2.840   2.656  -2.817
   82    HA   TRP  11           HA       TRP  11  -0.326   3.063  -4.250
   83    HB2  TRP  11           HB2      TRP  11   0.612   3.861  -2.206
   84    HB3  TRP  11           HB3      TRP  11  -0.988   4.571  -2.340
   85    HD1  TRP  11           HD1      TRP  11  -1.770   1.282  -1.110
   86    HE1  TRP  11           HE1      TRP  11  -1.925   1.242   1.437
   87    HE3  TRP  11           HE3      TRP  11   0.524   5.730  -0.071
   88    HZ2  TRP  11           HZ2      TRP  11  -1.165   2.865   3.629
   89    HZ3  TRP  11           HZ3      TRP  11   0.773   6.410   2.274
   90    HH2  TRP  11           HH2      TRP  11  -0.051   4.998   4.081
   91    HA   PRO  12           HA       PRO  12   1.022  -1.071  -3.595
   92    HB2  PRO  12           HB2      PRO  12   3.661  -0.859  -3.220
   93    HB3  PRO  12           HB3      PRO  12   2.915  -0.366  -4.745
   94    HG2  PRO  12           HG2      PRO  12   3.752   1.330  -2.424
   95    HG3  PRO  12           HG3      PRO  12   4.034   1.597  -4.137
   96    HD2  PRO  12           HD2      PRO  12   2.033   2.811  -2.769
   97    HD3  PRO  12           HD3      PRO  12   1.928   2.433  -4.495
   98    H    CYS  13           H        CYS  13   2.704  -2.397  -2.078
   99    HA   CYS  13           HA       CYS  13   1.731  -1.921   0.623
  100    HB2  CYS  13           HB2      CYS  13   2.537  -4.179   1.108
  101    HB3  CYS  13           HB3      CYS  13   1.471  -4.161  -0.292
  102    H    TRP  14           H        TRP  14   4.067  -0.504  -0.833
  103    HA   TRP  14           HA       TRP  14   5.950  -0.700   1.400
  104    HB2  TRP  14           HB2      TRP  14   7.837  -0.538  -0.315
  105    HB3  TRP  14           HB3      TRP  14   7.022  -2.091  -0.172
  106    HD1  TRP  14           HD1      TRP  14   5.427  -2.813  -2.213
  107    HE1  TRP  14           HE1      TRP  14   5.378  -2.089  -4.683
  108    HE3  TRP  14           HE3      TRP  14   8.235   1.416  -1.847
  109    HZ2  TRP  14           HZ2      TRP  14   6.398   0.038  -6.265
  110    HZ3  TRP  14           HZ3      TRP  14   8.643   2.753  -3.859
  111    HH2  TRP  14           HH2      TRP  14   7.736   2.075  -6.026
  112    H    TYR  15           H        TYR  15   5.287   1.067  -1.619
  113    HA   TYR  15           HA       TYR  15   5.708   3.218  -2.239
  114    HB2  TYR  15           HB2      TYR  15   4.328   4.846  -0.831
  115    HB3  TYR  15           HB3      TYR  15   3.492   3.500  -1.576
  116    HD1  TYR  15           HD1      TYR  15   4.503   5.011   1.598
  117    HD2  TYR  15           HD2      TYR  15   2.699   1.637  -0.256
  118    HE1  TYR  15           HE1      TYR  15   3.606   4.302   3.767
  119    HE2  TYR  15           HE2      TYR  15   1.815   0.919   1.897
  120    HH   TYR  15           HH       TYR  15   2.316   1.222   4.298
  121    H    ARG  16           H        ARG  16   7.903   3.436  -2.038
  122    HA   ARG  16           HA       ARG  16   8.850   4.809   0.384
  123    HB2  ARG  16           HB2      ARG  16  10.325   2.617  -1.087
  124    HB3  ARG  16           HB3      ARG  16  10.881   3.457   0.355
  125    HG2  ARG  16           HG2      ARG  16   9.228   2.441   1.701
  126    HG3  ARG  16           HG3      ARG  16   8.335   1.871   0.292
  127    HD2  ARG  16           HD2      ARG  16   9.526   0.023   1.295
  128    HD3  ARG  16           HD3      ARG  16  10.197   0.384  -0.297
  129    HE   ARG  16           HE       ARG  16  11.620   1.725   1.788
  130   HH11  ARG  16          HH11      ARG  16  11.252  -1.355   0.173
  131   HH12  ARG  16          HH12      ARG  16  12.835  -1.915   0.603
  132   HH21  ARG  16          HH21      ARG  16  13.706   0.984   2.369
  133   HH22  ARG  16          HH22      ARG  16  14.222  -0.593   1.860
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1  -1.234  -0.641  -5.527
    2    H3   PRO   1           HT2      PRO   1  -2.379  -0.735  -6.689
    3    HA   PRO   1           HA       PRO   1  -1.282  -2.069  -7.943
    4    HB2  PRO   1           HB2      PRO   1   1.483  -1.665  -7.359
    5    HB3  PRO   1           HB3      PRO   1   0.621  -1.294  -8.860
    6    HG2  PRO   1           HG2      PRO   1   1.257   0.462  -6.562
    7    HG3  PRO   1           HG3      PRO   1   1.036   0.874  -8.272
    8    HD2  PRO   1           HD2      PRO   1  -0.829   1.514  -6.483
    9    HD3  PRO   1           HD3      PRO   1  -1.297   0.914  -8.085
   10    H    SER   2           H        SER   2  -1.661  -3.943  -7.048
   11    HA   SER   2           HA       SER   2  -1.433  -5.839  -5.854
   12    HB2  SER   2           HB2      SER   2   1.296  -4.817  -5.054
   13    HB3  SER   2           HB3      SER   2   0.745  -6.491  -5.067
   14    HG   SER   2           HG       SER   2   0.720  -6.469  -7.273
   15    H    ILE   3           H        ILE   3  -3.099  -5.120  -4.451
   16    HA   ILE   3           HA       ILE   3  -2.449  -3.834  -1.966
   17    HB   ILE   3           HB       ILE   3  -4.948  -5.389  -2.605
   18   HG12  ILE   3          HG12      ILE   3  -4.450  -2.431  -2.991
   19   HG13  ILE   3          HG13      ILE   3  -4.505  -3.610  -4.296
   20   HG21  ILE   3          HG21      ILE   3  -4.646  -4.911  -0.244
   21   HG22  ILE   3          HG22      ILE   3  -5.959  -3.930  -0.897
   22   HG23  ILE   3          HG23      ILE   3  -4.375  -3.206  -0.607
   23   HD11  ILE   3          HD11      ILE   3  -6.773  -2.886  -2.458
   24   HD12  ILE   3          HD12      ILE   3  -6.835  -4.106  -3.730
   25   HD13  ILE   3          HD13      ILE   3  -6.593  -2.409  -4.145
   26    H    HCS   4           H        HCS   4  -0.870  -5.094  -1.042
   27    HA   HCS   4           HA       HCS   4  -1.171  -7.880  -0.547
   28    HB2  HCS   4           HB1      HCS   4   0.616  -5.902   0.877
   29    HB3  HCS   4           HB2      HCS   4   0.794  -7.651   0.881
   30    HG2  HCS   4           HG1      HCS   4   1.143  -7.558  -1.574
   31    HG3  HCS   4           HG2      HCS   4   1.110  -5.805  -1.474
   32    H    HIS   5           H        HIS   5  -1.411  -5.025   1.515
   33    HA   HIS   5           HA       HIS   5  -3.752  -5.734   2.810
   34    HB2  HIS   5           HB2      HIS   5  -3.001  -6.421   5.036
   35    HB3  HIS   5           HB3      HIS   5  -2.423  -7.556   3.827
   36    HD1  HIS   5           HD1      HIS   5  -1.271  -5.322   6.509
   37    HD2  HIS   5           HD2      HIS   5   0.386  -7.410   3.326
   38    HE1  HIS   5           HE1      HIS   5   1.196  -5.428   6.985
   39    HE2  HIS   5           HE2      HIS   5   2.196  -6.606   4.992
   40    H    VAL   6           H        VAL   6  -2.736  -3.552   1.627
   41    HA   VAL   6           HA       VAL   6  -1.493  -1.820   3.594
   42    HB   VAL   6           HB       VAL   6  -2.130  -0.503   1.107
   43   HG11  VAL   6          HG11      VAL   6   0.461  -1.204   2.469
   44   HG12  VAL   6          HG12      VAL   6  -0.469   0.283   2.675
   45   HG13  VAL   6          HG13      VAL   6   0.280  -0.081   1.120
   46   HG21  VAL   6          HG21      VAL   6  -2.053  -2.712   0.127
   47   HG22  VAL   6          HG22      VAL   6  -0.509  -3.029   0.916
   48   HG23  VAL   6          HG23      VAL   6  -0.619  -1.789  -0.336
   49    H    HIS   7           H        HIS   7  -2.255   0.509   3.610
   50    HA   HIS   7           HA       HIS   7  -4.961   0.652   4.437
   51    HB2  HIS   7           HB2      HIS   7  -3.267   2.068   5.441
   52    HB3  HIS   7           HB3      HIS   7  -2.922   2.808   3.887
   53    HD1  HIS   7           HD1      HIS   7  -5.570   2.753   6.570
   54    HD2  HIS   7           HD2      HIS   7  -4.489   4.902   3.184
   55    HE1  HIS   7           HE1      HIS   7  -7.069   4.774   6.546
   56    HE2  HIS   7           HE2      HIS   7  -6.264   6.154   4.598
   57    H    ARG   8           H        ARG   8  -3.377   2.482   1.774
   58    HA   ARG   8           HA       ARG   8  -5.917   2.979   0.529
   59    HB2  ARG   8           HB2      ARG   8  -3.191   3.425  -0.692
   60    HB3  ARG   8           HB3      ARG   8  -4.697   4.213  -1.126
   61    HG2  ARG   8           HG2      ARG   8  -4.637   5.065   1.322
   62    HG3  ARG   8           HG3      ARG   8  -2.919   4.669   1.208
   63    HD2  ARG   8           HD2      ARG   8  -4.464   6.539  -0.571
   64    HD3  ARG   8           HD3      ARG   8  -3.299   6.989   0.663
   65    HE   ARG   8           HE       ARG   8  -1.904   5.368  -1.030
   66   HH11  ARG   8          HH11      ARG   8  -3.778   8.291  -1.434
   67   HH12  ARG   8          HH12      ARG   8  -2.789   8.907  -2.719
   68   HH21  ARG   8          HH21      ARG   8  -0.570   6.205  -2.720
   69   HH22  ARG   8          HH22      ARG   8  -0.976   7.721  -3.445
   70    HA   PRO   9           HA       PRO   9  -5.677  -0.534  -2.179
   71    HB2  PRO   9           HB2      PRO   9  -7.714   0.064  -3.814
   72    HB3  PRO   9           HB3      PRO   9  -7.978  -0.323  -2.111
   73    HG2  PRO   9           HG2      PRO   9  -8.098   2.295  -3.492
   74    HG3  PRO   9           HG3      PRO   9  -8.961   1.740  -2.048
   75    HD2  PRO   9           HD2      PRO   9  -6.617   3.352  -2.157
   76    HD3  PRO   9           HD3      PRO   9  -7.400   2.690  -0.713
   77    H    ASP  10           H        ASP  10  -4.894   2.611  -3.146
   78    HA   ASP  10           HA       ASP  10  -4.361   1.804  -5.911
   79    HB2  ASP  10           HB2      ASP  10  -4.441   4.174  -6.456
   80    HB3  ASP  10           HB3      ASP  10  -5.911   3.686  -5.625
   81    H    TRP  11           H        TRP  11  -2.774   2.367  -2.986
   82    HA   TRP  11           HA       TRP  11  -0.289   2.992  -4.423
   83    HB2  TRP  11           HB2      TRP  11   0.636   3.801  -2.372
   84    HB3  TRP  11           HB3      TRP  11  -0.967   4.474  -2.519
   85    HD1  TRP  11           HD1      TRP  11  -1.637   1.158  -1.273
   86    HE1  TRP  11           HE1      TRP  11  -1.841   1.159   1.276
   87    HE3  TRP  11           HE3      TRP  11   0.402   5.727  -0.301
   88    HZ2  TRP  11           HZ2      TRP  11  -1.200   2.866   3.435
   89    HZ3  TRP  11           HZ3      TRP  11   0.568   6.474   2.029
   90    HH2  TRP  11           HH2      TRP  11  -0.215   5.066   3.860
   91    HA   PRO  12           HA       PRO  12   1.257  -1.092  -3.757
   92    HB2  PRO  12           HB2      PRO  12   3.862  -0.778  -3.178
   93    HB3  PRO  12           HB3      PRO  12   3.209  -0.386  -4.772
   94    HG2  PRO  12           HG2      PRO  12   3.874   1.436  -2.496
   95    HG3  PRO  12           HG3      PRO  12   4.181   1.653  -4.215
   96    HD2  PRO  12           HD2      PRO  12   2.097   2.825  -2.919
   97    HD3  PRO  12           HD3      PRO  12   2.065   2.413  -4.637
   98    H    CYS  13           H        CYS  13   2.890  -2.380  -2.141
   99    HA   CYS  13           HA       CYS  13   1.784  -1.874   0.513
  100    HB2  CYS  13           HB2      CYS  13   2.538  -4.153   1.054
  101    HB3  CYS  13           HB3      CYS  13   1.459  -4.119  -0.335
  102    H    TRP  14           H        TRP  14   4.164  -0.517  -0.871
  103    HA   TRP  14           HA       TRP  14   5.956  -0.692   1.424
  104    HB2  TRP  14           HB2      TRP  14   7.923  -0.598  -0.205
  105    HB3  TRP  14           HB3      TRP  14   7.078  -2.137  -0.069
  106    HD1  TRP  14           HD1      TRP  14   5.602  -2.906  -2.170
  107    HE1  TRP  14           HE1      TRP  14   5.669  -2.222  -4.652
  108    HE3  TRP  14           HE3      TRP  14   8.341   1.378  -1.756
  109    HZ2  TRP  14           HZ2      TRP  14   6.714  -0.135  -6.214
  110    HZ3  TRP  14           HZ3      TRP  14   8.807   2.677  -3.781
  111    HH2  TRP  14           HH2      TRP  14   8.004   1.936  -5.967
  112    H    TYR  15           H        TYR  15   5.381   0.998  -1.645
  113    HA   TYR  15           HA       TYR  15   5.782   3.136  -2.310
  114    HB2  TYR  15           HB2      TYR  15   4.336   4.775  -0.974
  115    HB3  TYR  15           HB3      TYR  15   3.549   3.400  -1.724
  116    HD1  TYR  15           HD1      TYR  15   4.298   5.044   1.435
  117    HD2  TYR  15           HD2      TYR  15   2.861   1.488  -0.391
  118    HE1  TYR  15           HE1      TYR  15   3.350   4.328   3.585
  119    HE2  TYR  15           HE2      TYR  15   1.923   0.765   1.738
  120    HH   TYR  15           HH       TYR  15   2.240   1.167   4.140
  121    H    ARG  16           H        ARG  16   7.927   3.443  -2.119
  122    HA   ARG  16           HA       ARG  16   8.815   5.071   0.154
  123    HB2  ARG  16           HB2      ARG  16  10.265   2.672  -0.988
  124    HB3  ARG  16           HB3      ARG  16  10.936   3.782   0.198
  125    HG2  ARG  16           HG2      ARG  16   9.555   3.025   1.885
  126    HG3  ARG  16           HG3      ARG  16   8.368   2.372   0.760
  127    HD2  ARG  16           HD2      ARG  16   9.931   0.606   0.122
  128    HD3  ARG  16           HD3      ARG  16  11.132   1.260   1.237
  129    HE   ARG  16           HE       ARG  16   8.884   0.790   2.758
  130   HH11  ARG  16          HH11      ARG  16  11.059  -1.117   0.788
  131   HH12  ARG  16          HH12      ARG  16  10.801  -2.576   1.692
  132   HH21  ARG  16          HH21      ARG  16   8.548  -1.123   3.962
  133   HH22  ARG  16          HH22      ARG  16   9.384  -2.577   3.509
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1  -1.698  -2.145  -8.523
    2    H3   PRO   1           HT2      PRO   1  -0.520  -2.114  -9.652
    3    HA   PRO   1           HA       PRO   1   1.090  -2.017  -8.256
    4    HB2  PRO   1           HB2      PRO   1   0.028  -0.837  -5.880
    5    HB3  PRO   1           HB3      PRO   1   1.258  -0.186  -6.972
    6    HG2  PRO   1           HG2      PRO   1  -1.647   0.329  -6.893
    7    HG3  PRO   1           HG3      PRO   1  -0.333   1.349  -7.506
    8    HD2  PRO   1           HD2      PRO   1  -2.028   0.135  -9.184
    9    HD3  PRO   1           HD3      PRO   1  -0.308   0.289  -9.581
   10    H    SER   2           H        SER   2   1.684  -3.270  -6.384
   11    HA   SER   2           HA       SER   2  -0.099  -5.470  -6.001
   12    HB2  SER   2           HB2      SER   2   2.553  -4.893  -4.663
   13    HB3  SER   2           HB3      SER   2   1.719  -6.448  -4.699
   14    HG   SER   2           HG       SER   2   2.089  -6.606  -6.867
   15    H    ILE   3           H        ILE   3  -1.869  -4.814  -4.908
   16    HA   ILE   3           HA       ILE   3  -1.627  -3.456  -2.359
   17    HB   ILE   3           HB       ILE   3  -4.107  -4.618  -3.624
   18   HG12  ILE   3          HG12      ILE   3  -3.079  -1.782  -3.815
   19   HG13  ILE   3          HG13      ILE   3  -2.955  -2.973  -5.106
   20   HG21  ILE   3          HG21      ILE   3  -5.278  -3.028  -2.194
   21   HG22  ILE   3          HG22      ILE   3  -3.739  -2.503  -1.512
   22   HG23  ILE   3          HG23      ILE   3  -4.302  -4.155  -1.251
   23   HD11  ILE   3          HD11      ILE   3  -5.512  -1.925  -3.916
   24   HD12  ILE   3          HD12      ILE   3  -5.384  -3.118  -5.210
   25   HD13  ILE   3          HD13      ILE   3  -4.820  -1.464  -5.470
   26    H    HCS   4           H        HCS   4  -0.599  -4.866  -1.038
   27    HA   HCS   4           HA       HCS   4  -1.329  -7.624  -0.814
   28    HB2  HCS   4           HB1      HCS   4   0.417  -5.995   1.034
   29    HB3  HCS   4           HB2      HCS   4   0.394  -7.743   0.873
   30    HG2  HCS   4           HG1      HCS   4   1.230  -7.536  -1.418
   31    HG3  HCS   4           HG2      HCS   4   1.258  -5.789  -1.241
   32    H    HIS   5           H        HIS   5  -1.745  -4.738   1.140
   33    HA   HIS   5           HA       HIS   5  -4.269  -5.450   2.087
   34    HB2  HIS   5           HB2      HIS   5  -3.713  -5.621   4.555
   35    HB3  HIS   5           HB3      HIS   5  -3.276  -7.013   3.578
   36    HD1  HIS   5           HD1      HIS   5  -1.913  -4.782   6.085
   37    HD2  HIS   5           HD2      HIS   5  -0.430  -7.066   2.951
   38    HE1  HIS   5           HE1      HIS   5   0.560  -4.992   6.514
   39    HE2  HIS   5           HE2      HIS   5   1.450  -6.340   4.574
   40    H    VAL   6           H        VAL   6  -1.716  -3.848   3.846
   41    HA   VAL   6           HA       VAL   6  -1.253  -1.706   4.374
   42    HB   VAL   6           HB       VAL   6  -2.139  -0.558   1.840
   43   HG11  VAL   6          HG11      VAL   6   0.134   0.225   1.770
   44   HG12  VAL   6          HG12      VAL   6   0.584  -0.865   3.083
   45   HG13  VAL   6          HG13      VAL   6  -0.525   0.474   3.383
   46   HG21  VAL   6          HG21      VAL   6  -1.779  -2.817   1.019
   47   HG22  VAL   6          HG22      VAL   6  -0.189  -2.852   1.779
   48   HG23  VAL   6          HG23      VAL   6  -0.507  -1.733   0.453
   49    H    HIS   7           H        HIS   7  -2.360   0.701   3.336
   50    HA   HIS   7           HA       HIS   7  -4.953   0.729   4.695
   51    HB2  HIS   7           HB2      HIS   7  -3.332   2.217   5.688
   52    HB3  HIS   7           HB3      HIS   7  -2.961   2.920   4.122
   53    HD1  HIS   7           HD1      HIS   7  -5.889   2.715   6.546
   54    HD2  HIS   7           HD2      HIS   7  -4.351   5.136   3.534
   55    HE1  HIS   7           HE1      HIS   7  -7.349   4.765   6.520
   56    HE2  HIS   7           HE2      HIS   7  -6.234   6.314   4.876
   57    H    ARG   8           H        ARG   8  -3.448   2.618   2.027
   58    HA   ARG   8           HA       ARG   8  -6.006   3.279   0.956
   59    HB2  ARG   8           HB2      ARG   8  -3.342   3.535  -0.436
   60    HB3  ARG   8           HB3      ARG   8  -4.808   4.422  -0.790
   61    HG2  ARG   8           HG2      ARG   8  -4.529   5.178   1.710
   62    HG3  ARG   8           HG3      ARG   8  -2.839   4.808   1.374
   63    HD2  ARG   8           HD2      ARG   8  -4.625   6.847   0.122
   64    HD3  ARG   8           HD3      ARG   8  -3.035   7.059   0.837
   65    HE   ARG   8           HE       ARG   8  -3.516   5.732  -1.768
   66   HH11  ARG   8          HH11      ARG   8  -1.568   7.804   0.315
   67   HH12  ARG   8          HH12      ARG   8  -0.395   8.139  -0.917
   68   HH21  ARG   8          HH21      ARG   8  -1.988   6.183  -3.375
   69   HH22  ARG   8          HH22      ARG   8  -0.602   7.173  -2.999
   70    HA   PRO   9           HA       PRO   9  -6.376  -0.131  -1.854
   71    HB2  PRO   9           HB2      PRO   9  -8.488   0.708  -3.258
   72    HB3  PRO   9           HB3      PRO   9  -8.617   0.329  -1.538
   73    HG2  PRO   9           HG2      PRO   9  -8.563   2.968  -2.886
   74    HG3  PRO   9           HG3      PRO   9  -9.369   2.487  -1.386
   75    HD2  PRO   9           HD2      PRO   9  -6.877   3.834  -1.647
   76    HD3  PRO   9           HD3      PRO   9  -7.604   3.201  -0.158
   77    H    ASP  10           H        ASP  10  -4.935   2.647  -2.713
   78    HA   ASP  10           HA       ASP  10  -4.800   1.939  -5.562
   79    HB2  ASP  10           HB2      ASP  10  -4.361   4.252  -6.041
   80    HB3  ASP  10           HB3      ASP  10  -5.806   4.167  -5.046
   81    H    TRP  11           H        TRP  11  -3.023   2.279  -2.644
   82    HA   TRP  11           HA       TRP  11  -0.517   2.533  -4.140
   83    HB2  TRP  11           HB2      TRP  11   0.493   3.452  -2.191
   84    HB3  TRP  11           HB3      TRP  11  -1.085   4.206  -2.337
   85    HD1  TRP  11           HD1      TRP  11  -1.915   1.033  -0.847
   86    HE1  TRP  11           HE1      TRP  11  -2.010   1.202   1.695
   87    HE3  TRP  11           HE3      TRP  11   0.479   5.498  -0.221
   88    HZ2  TRP  11           HZ2      TRP  11  -1.169   2.984   3.731
   89    HZ3  TRP  11           HZ3      TRP  11   0.797   6.366   2.054
   90    HH2  TRP  11           HH2      TRP  11  -0.011   5.129   3.991
   91    HA   PRO  12           HA       PRO  12   0.730  -1.596  -3.152
   92    HB2  PRO  12           HB2      PRO  12   3.392  -1.413  -2.928
   93    HB3  PRO  12           HB3      PRO  12   2.579  -1.096  -4.465
   94    HG2  PRO  12           HG2      PRO  12   3.600   0.842  -2.426
   95    HG3  PRO  12           HG3      PRO  12   3.750   0.902  -4.179
   96    HD2  PRO  12           HD2      PRO  12   1.881   2.308  -2.778
   97    HD3  PRO  12           HD3      PRO  12   1.656   1.790  -4.456
   98    H    CYS  13           H        CYS  13   2.667  -2.677  -1.612
   99    HA   CYS  13           HA       CYS  13   1.772  -1.981   1.075
  100    HB2  CYS  13           HB2      CYS  13   2.575  -4.174   1.746
  101    HB3  CYS  13           HB3      CYS  13   1.476  -4.308   0.376
  102    H    TRP  14           H        TRP  14   4.030  -0.759  -0.666
  103    HA   TRP  14           HA       TRP  14   6.036  -0.738   1.468
  104    HB2  TRP  14           HB2      TRP  14   7.821  -0.788  -0.364
  105    HB3  TRP  14           HB3      TRP  14   6.994  -2.306  -0.013
  106    HD1  TRP  14           HD1      TRP  14   5.313  -3.237  -1.865
  107    HE1  TRP  14           HE1      TRP  14   5.125  -2.789  -4.390
  108    HE3  TRP  14           HE3      TRP  14   8.075   1.045  -2.128
  109    HZ2  TRP  14           HZ2      TRP  14   6.008  -0.852  -6.239
  110    HZ3  TRP  14           HZ3      TRP  14   8.333   2.149  -4.305
  111    HH2  TRP  14           HH2      TRP  14   7.322   1.216  -6.316
  112    H    TYR  15           H        TYR  15   5.135   0.708  -1.646
  113    HA   TYR  15           HA       TYR  15   5.491   2.765  -2.527
  114    HB2  TYR  15           HB2      TYR  15   4.266   4.551  -1.124
  115    HB3  TYR  15           HB3      TYR  15   3.358   3.198  -1.770
  116    HD1  TYR  15           HD1      TYR  15   2.793   1.297  -0.265
  117    HD2  TYR  15           HD2      TYR  15   4.337   4.959   1.233
  118    HE1  TYR  15           HE1      TYR  15   1.995   0.708   1.962
  119    HE2  TYR  15           HE2      TYR  15   3.535   4.387   3.482
  120    HH   TYR  15           HH       TYR  15   1.864   2.970   4.533
  121    H    ARG  16           H        ARG  16   7.635   3.085  -2.627
  122    HA   ARG  16           HA       ARG  16   8.835   4.735  -0.507
  123    HB2  ARG  16           HB2      ARG  16  10.064   2.402  -1.986
  124    HB3  ARG  16           HB3      ARG  16  10.991   3.529  -1.003
  125    HG2  ARG  16           HG2      ARG  16  10.024   2.782   0.983
  126    HG3  ARG  16           HG3      ARG  16   8.665   2.030   0.147
  127    HD2  ARG  16           HD2      ARG  16  10.310   0.398   1.028
  128    HD3  ARG  16           HD3      ARG  16  10.079   0.294  -0.714
  129    HE   ARG  16           HE       ARG  16  12.243   1.971  -0.314
  130   HH11  ARG  16          HH11      ARG  16  11.434  -1.360   0.420
  131   HH12  ARG  16          HH12      ARG  16  13.077  -1.906   0.343
  132   HH21  ARG  16          HH21      ARG  16  14.397   1.237  -0.460
  133   HH22  ARG  16          HH22      ARG  16  14.762  -0.437  -0.190
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1  -1.470  -1.447  -8.407
    2    H3   PRO   1           HT2      PRO   1  -0.325  -1.598  -9.565
    3    HA   PRO   1           HA       PRO   1   1.263  -2.165  -8.210
    4    HB2  PRO   1           HB2      PRO   1   0.231  -1.279  -5.643
    5    HB3  PRO   1           HB3      PRO   1   1.785  -0.924  -6.408
    6    HG2  PRO   1           HG2      PRO   1  -0.665   0.655  -6.396
    7    HG3  PRO   1           HG3      PRO   1   0.972   1.137  -6.863
    8    HD2  PRO   1           HD2      PRO   1  -1.040   0.885  -8.660
    9    HD3  PRO   1           HD3      PRO   1   0.650   0.553  -9.078
   10    H    SER   2           H        SER   2   1.209  -3.495  -5.965
   11    HA   SER   2           HA       SER   2  -1.073  -5.318  -6.238
   12    HB2  SER   2           HB2      SER   2   1.603  -5.869  -4.943
   13    HB3  SER   2           HB3      SER   2   0.359  -7.042  -5.369
   14    HG   SER   2           HG       SER   2   0.888  -6.901  -7.442
   15    H    ILE   3           H        ILE   3  -2.556  -5.222  -4.697
   16    HA   ILE   3           HA       ILE   3  -1.999  -3.865  -2.200
   17    HB   ILE   3           HB       ILE   3  -4.556  -5.251  -2.993
   18   HG12  ILE   3          HG12      ILE   3  -3.821  -2.337  -3.365
   19   HG13  ILE   3          HG13      ILE   3  -3.889  -3.523  -4.664
   20   HG21  ILE   3          HG21      ILE   3  -3.965  -3.077  -0.991
   21   HG22  ILE   3          HG22      ILE   3  -4.331  -4.765  -0.620
   22   HG23  ILE   3          HG23      ILE   3  -5.563  -3.730  -1.351
   23   HD11  ILE   3          HD11      ILE   3  -6.274  -3.833  -4.257
   24   HD12  ILE   3          HD12      ILE   3  -5.890  -2.148  -4.617
   25   HD13  ILE   3          HD13      ILE   3  -6.206  -2.645  -2.954
   26    H    HCS   4           H        HCS   4  -0.671  -5.154  -1.029
   27    HA   HCS   4           HA       HCS   4  -1.122  -7.948  -0.616
   28    HB2  HCS   4           HB1      HCS   4   0.574  -6.080   1.038
   29    HB3  HCS   4           HB2      HCS   4   0.728  -7.825   0.923
   30    HG2  HCS   4           HG1      HCS   4   1.343  -7.588  -1.441
   31    HG3  HCS   4           HG2      HCS   4   1.251  -5.844  -1.275
   32    H    HIS   5           H        HIS   5  -1.362  -5.090   1.402
   33    HA   HIS   5           HA       HIS   5  -3.827  -5.442   2.483
   34    HB2  HIS   5           HB2      HIS   5  -3.459  -6.312   4.753
   35    HB3  HIS   5           HB3      HIS   5  -3.090  -7.522   3.538
   36    HD1  HIS   5           HD1      HIS   5  -1.750  -5.962   6.511
   37    HD2  HIS   5           HD2      HIS   5  -0.212  -7.838   3.146
   38    HE1  HIS   5           HE1      HIS   5   0.579  -6.661   7.141
   39    HE2  HIS   5           HE2      HIS   5   1.552  -7.629   5.030
   40    H    VAL   6           H        VAL   6  -3.488  -3.258   1.970
   41    HA   VAL   6           HA       VAL   6  -1.733  -1.801   3.831
   42    HB   VAL   6           HB       VAL   6  -2.174  -0.419   1.314
   43   HG11  VAL   6          HG11      VAL   6   0.275  -0.174   1.449
   44   HG12  VAL   6          HG12      VAL   6   0.279  -1.248   2.851
   45   HG13  VAL   6          HG13      VAL   6  -0.552   0.309   2.930
   46   HG21  VAL   6          HG21      VAL   6  -0.669  -3.028   1.211
   47   HG22  VAL   6          HG22      VAL   6  -0.680  -1.796  -0.052
   48   HG23  VAL   6          HG23      VAL   6  -2.165  -2.654   0.359
   49    H    HIS   7           H        HIS   7  -2.328   0.567   3.944
   50    HA   HIS   7           HA       HIS   7  -5.002   0.871   4.745
   51    HB2  HIS   7           HB2      HIS   7  -3.258   2.208   5.739
   52    HB3  HIS   7           HB3      HIS   7  -2.854   2.916   4.184
   53    HD1  HIS   7           HD1      HIS   7  -5.676   2.930   6.716
   54    HD2  HIS   7           HD2      HIS   7  -4.140   5.222   3.607
   55    HE1  HIS   7           HE1      HIS   7  -6.963   5.089   6.767
   56    HE2  HIS   7           HE2      HIS   7  -5.893   6.526   4.992
   57    H    ARG   8           H        ARG   8  -3.383   2.614   2.048
   58    HA   ARG   8           HA       ARG   8  -5.930   3.307   0.927
   59    HB2  ARG   8           HB2      ARG   8  -3.239   3.587  -0.401
   60    HB3  ARG   8           HB3      ARG   8  -4.700   4.492  -0.747
   61    HG2  ARG   8           HG2      ARG   8  -4.416   5.151   1.794
   62    HG3  ARG   8           HG3      ARG   8  -2.725   4.833   1.406
   63    HD2  ARG   8           HD2      ARG   8  -4.584   6.880   0.272
   64    HD3  ARG   8           HD3      ARG   8  -2.983   7.096   0.959
   65    HE   ARG   8           HE       ARG   8  -3.509   5.889  -1.689
   66   HH11  ARG   8          HH11      ARG   8  -1.495   7.755   0.506
   67   HH12  ARG   8          HH12      ARG   8  -0.334   8.167  -0.715
   68   HH21  ARG   8          HH21      ARG   8  -2.013   6.466  -3.300
   69   HH22  ARG   8          HH22      ARG   8  -0.622   7.430  -2.876
   70    HA   PRO   9           HA       PRO   9  -6.117  -0.122  -1.862
   71    HB2  PRO   9           HB2      PRO   9  -8.152   0.693  -3.409
   72    HB3  PRO   9           HB3      PRO   9  -8.382   0.281  -1.706
   73    HG2  PRO   9           HG2      PRO   9  -8.336   2.931  -3.019
   74    HG3  PRO   9           HG3      PRO   9  -9.173   2.416  -1.548
   75    HD2  PRO   9           HD2      PRO   9  -6.708   3.828  -1.737
   76    HD3  PRO   9           HD3      PRO   9  -7.480   3.205  -0.269
   77    H    ASP  10           H        ASP  10  -5.022   2.920  -2.815
   78    HA   ASP  10           HA       ASP  10  -4.702   2.163  -5.625
   79    HB2  ASP  10           HB2      ASP  10  -4.278   4.484  -6.061
   80    HB3  ASP  10           HB3      ASP  10  -5.708   4.383  -5.040
   81    H    TRP  11           H        TRP  11  -2.931   2.464  -2.700
   82    HA   TRP  11           HA       TRP  11  -0.427   2.774  -4.182
   83    HB2  TRP  11           HB2      TRP  11   0.559   3.655  -2.204
   84    HB3  TRP  11           HB3      TRP  11  -1.033   4.372  -2.318
   85    HD1  TRP  11           HD1      TRP  11  -1.840   1.162  -0.954
   86    HE1  TRP  11           HE1      TRP  11  -1.936   1.224   1.598
   87    HE3  TRP  11           HE3      TRP  11   0.581   5.577  -0.163
   88    HZ2  TRP  11           HZ2      TRP  11  -1.082   2.916   3.695
   89    HZ3  TRP  11           HZ3      TRP  11   0.898   6.348   2.145
   90    HH2  TRP  11           HH2      TRP  11   0.086   5.042   4.035
   91    HA   PRO  12           HA       PRO  12   0.866  -1.357  -3.321
   92    HB2  PRO  12           HB2      PRO  12   3.514  -1.148  -2.938
   93    HB3  PRO  12           HB3      PRO  12   2.780  -0.807  -4.510
   94    HG2  PRO  12           HG2      PRO  12   3.651   1.096  -2.372
   95    HG3  PRO  12           HG3      PRO  12   3.902   1.200  -4.109
   96    HD2  PRO  12           HD2      PRO  12   1.941   2.559  -2.808
   97    HD3  PRO  12           HD3      PRO  12   1.795   2.033  -4.495
   98    H    CYS  13           H        CYS  13   2.657  -2.527  -1.751
   99    HA   CYS  13           HA       CYS  13   1.680  -1.946   0.932
  100    HB2  CYS  13           HB2      CYS  13   2.500  -4.169   1.520
  101    HB3  CYS  13           HB3      CYS  13   1.446  -4.242   0.113
  102    H    TRP  14           H        TRP  14   3.991  -0.626  -0.676
  103    HA   TRP  14           HA       TRP  14   5.913  -0.655   1.523
  104    HB2  TRP  14           HB2      TRP  14   7.776  -0.681  -0.236
  105    HB3  TRP  14           HB3      TRP  14   6.940  -2.199   0.065
  106    HD1  TRP  14           HD1      TRP  14   5.334  -3.108  -1.870
  107    HE1  TRP  14           HE1      TRP  14   5.222  -2.608  -4.390
  108    HE3  TRP  14           HE3      TRP  14   8.118   1.152  -1.939
  109    HZ2  TRP  14           HZ2      TRP  14   6.182  -0.631  -6.172
  110    HZ3  TRP  14           HZ3      TRP  14   8.459   2.307  -4.073
  111    HH2  TRP  14           HH2      TRP  14   7.512   1.432  -6.146
  112    H    TYR  15           H        TYR  15   5.148   0.840  -1.603
  113    HA   TYR  15           HA       TYR  15   5.488   2.920  -2.437
  114    HB2  TYR  15           HB2      TYR  15   4.273   4.689  -1.007
  115    HB3  TYR  15           HB3      TYR  15   3.359   3.344  -1.671
  116    HD1  TYR  15           HD1      TYR  15   2.638   1.511  -0.240
  117    HD2  TYR  15           HD2      TYR  15   4.516   4.950   1.392
  118    HE1  TYR  15           HE1      TYR  15   1.845   0.874   1.976
  119    HE2  TYR  15           HE2      TYR  15   3.725   4.331   3.635
  120    HH   TYR  15           HH       TYR  15   1.995   3.000   4.674
  121    H    ARG  16           H        ARG  16   7.624   3.338  -2.553
  122    HA   ARG  16           HA       ARG  16   8.792   4.988  -0.447
  123    HB2  ARG  16           HB2      ARG  16  10.080   2.468  -1.518
  124    HB3  ARG  16           HB3      ARG  16  10.844   3.611  -0.419
  125    HG2  ARG  16           HG2      ARG  16   9.415   3.037   1.347
  126    HG3  ARG  16           HG3      ARG  16   8.278   2.233   0.266
  127    HD2  ARG  16           HD2      ARG  16   9.929   0.497  -0.192
  128    HD3  ARG  16           HD3      ARG  16  11.070   1.288   0.902
  129    HE   ARG  16           HE       ARG  16   8.771   0.857   2.367
  130   HH11  ARG  16          HH11      ARG  16  11.176  -1.110   0.733
  131   HH12  ARG  16          HH12      ARG  16  10.880  -2.500   1.725
  132   HH21  ARG  16          HH21      ARG  16   8.389  -0.962   3.669
  133   HH22  ARG  16          HH22      ARG  16   9.312  -2.413   3.412
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1  -1.387  -1.994  -8.450
    2    H3   PRO   1           HT2      PRO   1  -0.391  -1.682  -9.704
    3    HA   PRO   1           HA       PRO   1   1.301  -2.386  -8.682
    4    HB2  PRO   1           HB2      PRO   1   1.372  -1.439  -6.078
    5    HB3  PRO   1           HB3      PRO   1   2.118  -0.655  -7.481
    6    HG2  PRO   1           HG2      PRO   1  -0.510  -0.112  -6.183
    7    HG3  PRO   1           HG3      PRO   1   0.645   1.027  -6.896
    8    HD2  PRO   1           HD2      PRO   1  -1.592   0.344  -8.190
    9    HD3  PRO   1           HD3      PRO   1  -0.074   0.595  -9.066
   10    H    SER   2           H        SER   2   1.954  -3.745  -6.666
   11    HA   SER   2           HA       SER   2  -0.095  -5.662  -6.194
   12    HB2  SER   2           HB2      SER   2   2.600  -5.351  -4.851
   13    HB3  SER   2           HB3      SER   2   1.577  -6.786  -4.791
   14    HG   SER   2           HG       SER   2   1.870  -7.073  -6.979
   15    H    ILE   3           H        ILE   3  -1.812  -4.946  -5.060
   16    HA   ILE   3           HA       ILE   3  -1.431  -3.440  -2.599
   17    HB   ILE   3           HB       ILE   3  -4.007  -4.453  -3.807
   18   HG12  ILE   3          HG12      ILE   3  -2.740  -1.714  -4.033
   19   HG13  ILE   3          HG13      ILE   3  -2.778  -2.915  -5.322
   20   HG21  ILE   3          HG21      ILE   3  -3.470  -2.374  -1.682
   21   HG22  ILE   3          HG22      ILE   3  -4.224  -3.954  -1.445
   22   HG23  ILE   3          HG23      ILE   3  -5.051  -2.714  -2.392
   23   HD11  ILE   3          HD11      ILE   3  -5.180  -1.618  -4.058
   24   HD12  ILE   3          HD12      ILE   3  -5.205  -2.789  -5.380
   25   HD13  ILE   3          HD13      ILE   3  -4.479  -1.200  -5.621
   26    H    HCS   4           H        HCS   4  -0.598  -4.758  -1.093
   27    HA   HCS   4           HA       HCS   4  -1.356  -7.495  -0.830
   28    HB2  HCS   4           HB1      HCS   4   0.217  -5.793   1.108
   29    HB3  HCS   4           HB2      HCS   4   0.168  -7.551   1.058
   30    HG2  HCS   4           HG1      HCS   4   1.180  -7.494  -1.177
   31    HG3  HCS   4           HG2      HCS   4   1.272  -5.744  -1.079
   32    H    HIS   5           H        HIS   5  -1.838  -4.620   1.151
   33    HA   HIS   5           HA       HIS   5  -4.517  -5.133   1.679
   34    HB2  HIS   5           HB2      HIS   5  -4.383  -5.532   4.169
   35    HB3  HIS   5           HB3      HIS   5  -3.922  -6.896   3.165
   36    HD1  HIS   5           HD1      HIS   5  -2.761  -4.866   5.952
   37    HD2  HIS   5           HD2      HIS   5  -1.060  -7.317   3.067
   38    HE1  HIS   5           HE1      HIS   5  -0.460  -5.414   6.804
   39    HE2  HIS   5           HE2      HIS   5   0.474  -7.045   5.129
   40    H    VAL   6           H        VAL   6  -1.972  -3.903   3.756
   41    HA   VAL   6           HA       VAL   6  -1.409  -1.835   4.493
   42    HB   VAL   6           HB       VAL   6  -2.104  -0.526   1.949
   43   HG11  VAL   6          HG11      VAL   6   0.546  -0.883   3.340
   44   HG12  VAL   6          HG12      VAL   6  -0.604   0.396   3.716
   45   HG13  VAL   6          HG13      VAL   6   0.127   0.316   2.113
   46   HG21  VAL   6          HG21      VAL   6  -1.704  -2.765   1.101
   47   HG22  VAL   6          HG22      VAL   6  -0.181  -2.853   1.991
   48   HG23  VAL   6          HG23      VAL   6  -0.364  -1.699   0.666
   49    H    HIS   7           H        HIS   7  -2.347   0.716   3.496
   50    HA   HIS   7           HA       HIS   7  -4.910   0.839   4.898
   51    HB2  HIS   7           HB2      HIS   7  -3.226   2.279   5.837
   52    HB3  HIS   7           HB3      HIS   7  -2.842   2.939   4.258
   53    HD1  HIS   7           HD1      HIS   7  -5.637   3.027   6.836
   54    HD2  HIS   7           HD2      HIS   7  -4.200   5.164   3.571
   55    HE1  HIS   7           HE1      HIS   7  -6.987   5.151   6.769
   56    HE2  HIS   7           HE2      HIS   7  -6.218   6.337   4.683
   57    H    ARG   8           H        ARG   8  -3.391   2.472   2.079
   58    HA   ARG   8           HA       ARG   8  -5.959   3.273   1.097
   59    HB2  ARG   8           HB2      ARG   8  -3.311   3.418  -0.342
   60    HB3  ARG   8           HB3      ARG   8  -4.751   4.341  -0.702
   61    HG2  ARG   8           HG2      ARG   8  -4.462   5.221   1.723
   62    HG3  ARG   8           HG3      ARG   8  -2.797   4.678   1.504
   63    HD2  ARG   8           HD2      ARG   8  -4.309   6.631  -0.201
   64    HD3  ARG   8           HD3      ARG   8  -2.985   7.002   0.900
   65    HE   ARG   8           HE       ARG   8  -1.693   5.417  -0.696
   66   HH11  ARG   8          HH11      ARG   8  -4.144   7.750  -1.579
   67   HH12  ARG   8          HH12      ARG   8  -3.520   7.998  -3.179
   68   HH21  ARG   8          HH21      ARG   8  -0.840   5.772  -2.808
   69   HH22  ARG   8          HH22      ARG   8  -1.676   6.832  -3.894
   70    HA   PRO   9           HA       PRO   9  -6.449  -0.140  -1.725
   71    HB2  PRO   9           HB2      PRO   9  -8.590   0.730  -3.050
   72    HB3  PRO   9           HB3      PRO   9  -8.677   0.383  -1.320
   73    HG2  PRO   9           HG2      PRO   9  -8.565   3.009  -2.718
   74    HG3  PRO   9           HG3      PRO   9  -9.393   2.570  -1.215
   75    HD2  PRO   9           HD2      PRO   9  -6.862   3.831  -1.466
   76    HD3  PRO   9           HD3      PRO   9  -7.604   3.211   0.018
   77    H    ASP  10           H        ASP  10  -4.835   2.460  -2.457
   78    HA   ASP  10           HA       ASP  10  -4.903   2.093  -5.378
   79    HB2  ASP  10           HB2      ASP  10  -5.750   4.277  -4.894
   80    HB3  ASP  10           HB3      ASP  10  -4.473   4.583  -3.724
   81    H    TRP  11           H        TRP  11  -3.004   2.174  -2.511
   82    HA   TRP  11           HA       TRP  11  -0.544   2.419  -4.078
   83    HB2  TRP  11           HB2      TRP  11   0.521   3.343  -2.157
   84    HB3  TRP  11           HB3      TRP  11  -1.048   4.112  -2.284
   85    HD1  TRP  11           HD1      TRP  11  -1.883   0.968  -0.751
   86    HE1  TRP  11           HE1      TRP  11  -1.948   1.158   1.788
   87    HE3  TRP  11           HE3      TRP  11   0.547   5.423  -0.203
   88    HZ2  TRP  11           HZ2      TRP  11  -1.072   2.955   3.802
   89    HZ3  TRP  11           HZ3      TRP  11   0.888   6.312   2.057
   90    HH2  TRP  11           HH2      TRP  11   0.099   5.099   4.025
   91    HA   PRO  12           HA       PRO  12   0.740  -1.697  -3.034
   92    HB2  PRO  12           HB2      PRO  12   3.405  -1.477  -2.792
   93    HB3  PRO  12           HB3      PRO  12   2.602  -1.222  -4.346
   94    HG2  PRO  12           HG2      PRO  12   3.583   0.795  -2.369
   95    HG3  PRO  12           HG3      PRO  12   3.745   0.790  -4.121
   96    HD2  PRO  12           HD2      PRO  12   1.853   2.235  -2.795
   97    HD3  PRO  12           HD3      PRO  12   1.633   1.634  -4.449
   98    H    CYS  13           H        CYS  13   2.682  -2.721  -1.456
   99    HA   CYS  13           HA       CYS  13   1.843  -1.895   1.214
  100    HB2  CYS  13           HB2      CYS  13   2.638  -4.064   1.979
  101    HB3  CYS  13           HB3      CYS  13   1.500  -4.246   0.649
  102    H    TRP  14           H        TRP  14   4.027  -0.692  -0.562
  103    HA   TRP  14           HA       TRP  14   6.080  -0.585   1.515
  104    HB2  TRP  14           HB2      TRP  14   7.832  -0.657  -0.349
  105    HB3  TRP  14           HB3      TRP  14   7.059  -2.178   0.084
  106    HD1  TRP  14           HD1      TRP  14   5.374  -3.243  -1.685
  107    HE1  TRP  14           HE1      TRP  14   5.125  -2.918  -4.226
  108    HE3  TRP  14           HE3      TRP  14   8.012   1.089  -2.202
  109    HZ2  TRP  14           HZ2      TRP  14   5.922  -1.056  -6.181
  110    HZ3  TRP  14           HZ3      TRP  14   8.205   2.095  -4.431
  111    HH2  TRP  14           HH2      TRP  14   7.186   1.036  -6.379
  112    H    TYR  15           H        TYR  15   5.094   0.719  -1.626
  113    HA   TYR  15           HA       TYR  15   5.383   2.745  -2.595
  114    HB2  TYR  15           HB2      TYR  15   4.234   4.580  -1.166
  115    HB3  TYR  15           HB3      TYR  15   3.298   3.229  -1.781
  116    HD1  TYR  15           HD1      TYR  15   2.751   1.332  -0.249
  117    HD2  TYR  15           HD2      TYR  15   4.380   4.987   1.190
  118    HE1  TYR  15           HE1      TYR  15   2.022   0.756   2.005
  119    HE2  TYR  15           HE2      TYR  15   3.649   4.418   3.466
  120    HH   TYR  15           HH       TYR  15   2.617   1.326   4.353
  121    H    ARG  16           H        ARG  16   7.543   3.057  -2.780
  122    HA   ARG  16           HA       ARG  16   8.813   4.774  -0.761
  123    HB2  ARG  16           HB2      ARG  16  10.020   2.382  -2.167
  124    HB3  ARG  16           HB3      ARG  16  10.920   3.504  -1.158
  125    HG2  ARG  16           HG2      ARG  16   9.770   2.832   0.791
  126    HG3  ARG  16           HG3      ARG  16   8.558   1.953  -0.137
  127    HD2  ARG  16           HD2      ARG  16  10.185   0.310  -0.799
  128    HD3  ARG  16           HD3      ARG  16  11.487   1.238  -0.055
  129    HE   ARG  16           HE       ARG  16   9.975   0.805   2.065
  130   HH11  ARG  16          HH11      ARG  16  10.843  -1.395  -0.509
  131   HH12  ARG  16          HH12      ARG  16  10.740  -2.808   0.487
  132   HH21  ARG  16          HH21      ARG  16   9.862  -1.053   3.398
  133   HH22  ARG  16          HH22      ARG  16  10.187  -2.614   2.713
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1  -2.515  -2.018  -7.863
    2    H3   PRO   1           HT2      PRO   1  -1.670  -1.260  -9.036
    3    HA   PRO   1           HA       PRO   1   0.125  -1.887  -8.168
    4    HB2  PRO   1           HB2      PRO   1  -0.196  -0.806  -5.469
    5    HB3  PRO   1           HB3      PRO   1   0.997  -0.394  -6.713
    6    HG2  PRO   1           HG2      PRO   1  -1.017   1.271  -6.064
    7    HG3  PRO   1           HG3      PRO   1  -0.388   1.147  -7.717
    8    HD2  PRO   1           HD2      PRO   1  -2.857  -0.099  -6.530
    9    HD3  PRO   1           HD3      PRO   1  -2.658   0.721  -8.091
   10    H    SER   2           H        SER   2   1.162  -3.136  -6.292
   11    HA   SER   2           HA       SER   2  -0.460  -5.414  -5.790
   12    HB2  SER   2           HB2      SER   2   2.235  -4.752  -4.586
   13    HB3  SER   2           HB3      SER   2   1.500  -6.350  -4.739
   14    HG   SER   2           HG       SER   2   3.060  -5.150  -6.459
   15    H    ILE   3           H        ILE   3  -2.157  -4.994  -4.483
   16    HA   ILE   3           HA       ILE   3  -1.751  -3.682  -1.922
   17    HB   ILE   3           HB       ILE   3  -4.270  -4.951  -2.969
   18   HG12  ILE   3          HG12      ILE   3  -3.428  -2.051  -3.110
   19   HG13  ILE   3          HG13      ILE   3  -3.440  -3.160  -4.480
   20   HG21  ILE   3          HG21      ILE   3  -4.224  -4.613  -0.556
   21   HG22  ILE   3          HG22      ILE   3  -5.386  -3.527  -1.321
   22   HG23  ILE   3          HG23      ILE   3  -3.817  -2.916  -0.795
   23   HD11  ILE   3          HD11      ILE   3  -5.850  -3.399  -4.277
   24   HD12  ILE   3          HD12      ILE   3  -5.397  -1.703  -4.464
   25   HD13  ILE   3          HD13      ILE   3  -5.847  -2.326  -2.875
   26    H    HCS   4           H        HCS   4  -0.490  -5.060  -0.786
   27    HA   HCS   4           HA       HCS   4  -0.985  -7.859  -0.564
   28    HB2  HCS   4           HB1      HCS   4   0.676  -6.069   1.220
   29    HB3  HCS   4           HB2      HCS   4   0.779  -7.819   1.120
   30    HG2  HCS   4           HG1      HCS   4   1.492  -7.653  -1.197
   31    HG3  HCS   4           HG2      HCS   4   1.393  -5.904  -1.110
   32    H    HIS   5           H        HIS   5  -1.369  -5.138   1.635
   33    HA   HIS   5           HA       HIS   5  -3.912  -5.754   2.510
   34    HB2  HIS   5           HB2      HIS   5  -3.566  -6.577   4.790
   35    HB3  HIS   5           HB3      HIS   5  -2.932  -7.713   3.614
   36    HD1  HIS   5           HD1      HIS   5  -2.045  -5.934   6.639
   37    HD2  HIS   5           HD2      HIS   5  -0.039  -7.664   3.447
   38    HE1  HIS   5           HE1      HIS   5   0.322  -6.261   7.432
   39    HE2  HIS   5           HE2      HIS   5   1.463  -7.487   5.549
   40    H    VAL   6           H        VAL   6  -2.948  -3.562   1.650
   41    HA   VAL   6           HA       VAL   6  -1.757  -1.970   3.789
   42    HB   VAL   6           HB       VAL   6  -2.065  -0.617   1.234
   43   HG11  VAL   6          HG11      VAL   6   0.333  -0.227   1.548
   44   HG12  VAL   6          HG12      VAL   6   0.332  -1.336   2.921
   45   HG13  VAL   6          HG13      VAL   6  -0.597   0.164   2.996
   46   HG21  VAL   6          HG21      VAL   6  -0.432  -1.941  -0.010
   47   HG22  VAL   6          HG22      VAL   6  -1.894  -2.868   0.322
   48   HG23  VAL   6          HG23      VAL   6  -0.439  -3.154   1.273
   49    H    HIS   7           H        HIS   7  -2.440   0.409   3.783
   50    HA   HIS   7           HA       HIS   7  -5.176   0.608   4.413
   51    HB2  HIS   7           HB2      HIS   7  -3.568   2.053   5.489
   52    HB3  HIS   7           HB3      HIS   7  -3.098   2.746   3.945
   53    HD1  HIS   7           HD1      HIS   7  -6.182   2.602   6.180
   54    HD2  HIS   7           HD2      HIS   7  -4.380   5.020   3.318
   55    HE1  HIS   7           HE1      HIS   7  -7.575   4.690   6.094
   56    HE2  HIS   7           HE2      HIS   7  -6.406   6.189   4.443
   57    H    ARG   8           H        ARG   8  -3.465   2.411   1.817
   58    HA   ARG   8           HA       ARG   8  -5.958   3.109   0.609
   59    HB2  ARG   8           HB2      ARG   8  -3.224   3.418  -0.618
   60    HB3  ARG   8           HB3      ARG   8  -4.673   4.310  -1.016
   61    HG2  ARG   8           HG2      ARG   8  -4.567   5.097   1.435
   62    HG3  ARG   8           HG3      ARG   8  -2.883   4.578   1.333
   63    HD2  ARG   8           HD2      ARG   8  -4.267   6.585  -0.424
   64    HD3  ARG   8           HD3      ARG   8  -3.067   6.927   0.813
   65    HE   ARG   8           HE       ARG   8  -1.650   5.354  -0.759
   66   HH11  ARG   8          HH11      ARG   8  -3.840   7.936  -1.644
   67   HH12  ARG   8          HH12      ARG   8  -2.948   8.385  -3.066
   68   HH21  ARG   8          HH21      ARG   8  -0.450   5.959  -2.640
   69   HH22  ARG   8          HH22      ARG   8  -1.031   7.257  -3.631
   70    HA   PRO   9           HA       PRO   9  -5.897  -0.126  -2.484
   71    HB2  PRO   9           HB2      PRO   9  -7.906   0.828  -4.016
   72    HB3  PRO   9           HB3      PRO   9  -8.195   0.092  -2.439
   73    HG2  PRO   9           HG2      PRO   9  -8.373   2.912  -3.248
   74    HG3  PRO   9           HG3      PRO   9  -9.111   2.090  -1.866
   75    HD2  PRO   9           HD2      PRO   9  -6.738   3.713  -1.927
   76    HD3  PRO   9           HD3      PRO   9  -7.488   2.929  -0.527
   77    H    ASP  10           H        ASP  10  -5.000   3.052  -2.838
   78    HA   ASP  10           HA       ASP  10  -4.530   2.984  -5.707
   79    HB2  ASP  10           HB2      ASP  10  -3.986   5.173  -3.688
   80    HB3  ASP  10           HB3      ASP  10  -3.880   5.331  -5.434
   81    H    TRP  11           H        TRP  11  -2.882   2.256  -2.825
   82    HA   TRP  11           HA       TRP  11  -0.312   2.676  -4.175
   83    HB2  TRP  11           HB2      TRP  11   0.679   3.428  -2.161
   84    HB3  TRP  11           HB3      TRP  11  -0.852   4.263  -2.295
   85    HD1  TRP  11           HD1      TRP  11  -1.775   0.995  -0.983
   86    HE1  TRP  11           HE1      TRP  11  -1.969   1.078   1.564
   87    HE3  TRP  11           HE3      TRP  11   0.583   5.429  -0.142
   88    HZ2  TRP  11           HZ2      TRP  11  -1.218   2.807   3.681
   89    HZ3  TRP  11           HZ3      TRP  11   0.805   6.234   2.168
   90    HH2  TRP  11           HH2      TRP  11  -0.068   4.935   4.038
   91    HA   PRO  12           HA       PRO  12   0.726  -1.546  -3.207
   92    HB2  PRO  12           HB2      PRO  12   3.381  -1.470  -3.002
   93    HB3  PRO  12           HB3      PRO  12   2.592  -1.071  -4.531
   94    HG2  PRO  12           HG2      PRO  12   3.666   0.766  -2.424
   95    HG3  PRO  12           HG3      PRO  12   3.862   0.855  -4.174
   96    HD2  PRO  12           HD2      PRO  12   2.023   2.308  -2.785
   97    HD3  PRO  12           HD3      PRO  12   1.814   1.835  -4.479
   98    H    CYS  13           H        CYS  13   2.694  -2.630  -1.662
   99    HA   CYS  13           HA       CYS  13   1.785  -1.963   1.029
  100    HB2  CYS  13           HB2      CYS  13   2.693  -4.130   1.685
  101    HB3  CYS  13           HB3      CYS  13   1.587  -4.298   0.327
  102    H    TRP  14           H        TRP  14   4.051  -0.693  -0.721
  103    HA   TRP  14           HA       TRP  14   6.062  -0.689   1.408
  104    HB2  TRP  14           HB2      TRP  14   7.824  -0.698  -0.455
  105    HB3  TRP  14           HB3      TRP  14   7.025  -2.221  -0.085
  106    HD1  TRP  14           HD1      TRP  14   5.321  -3.183  -1.912
  107    HE1  TRP  14           HE1      TRP  14   5.088  -2.751  -4.441
  108    HE3  TRP  14           HE3      TRP  14   8.036   1.124  -2.246
  109    HZ2  TRP  14           HZ2      TRP  14   5.920  -0.821  -6.319
  110    HZ3  TRP  14           HZ3      TRP  14   8.248   2.218  -4.436
  111    HH2  TRP  14           HH2      TRP  14   7.209   1.260  -6.431
  112    H    TYR  15           H        TYR  15   5.194   0.808  -1.677
  113    HA   TYR  15           HA       TYR  15   5.548   2.873  -2.522
  114    HB2  TYR  15           HB2      TYR  15   4.349   4.659  -1.070
  115    HB3  TYR  15           HB3      TYR  15   3.418   3.350  -1.779
  116    HD1  TYR  15           HD1      TYR  15   2.798   1.393  -0.335
  117    HD2  TYR  15           HD2      TYR  15   4.377   4.990   1.297
  118    HE1  TYR  15           HE1      TYR  15   1.980   0.748   1.868
  119    HE2  TYR  15           HE2      TYR  15   3.558   4.344   3.514
  120    HH   TYR  15           HH       TYR  15   2.003   2.932   4.560
  121    H    ARG  16           H        ARG  16   7.729   3.141  -2.570
  122    HA   ARG  16           HA       ARG  16   8.912   4.716  -0.381
  123    HB2  ARG  16           HB2      ARG  16  10.128   2.452  -1.973
  124    HB3  ARG  16           HB3      ARG  16  11.062   3.528  -0.945
  125    HG2  ARG  16           HG2      ARG  16  10.152   2.675   1.001
  126    HG3  ARG  16           HG3      ARG  16   8.736   2.021   0.170
  127    HD2  ARG  16           HD2      ARG  16  10.399   0.302   0.905
  128    HD3  ARG  16           HD3      ARG  16  10.025   0.275  -0.813
  129    HE   ARG  16           HE       ARG  16  12.173   1.513  -1.119
  130   HH11  ARG  16          HH11      ARG  16  11.691  -0.394   1.779
  131   HH12  ARG  16          HH12      ARG  16  13.373  -0.781   1.952
  132   HH21  ARG  16          HH21      ARG  16  14.384   1.009  -0.887
  133   HH22  ARG  16          HH22      ARG  16  14.902   0.019   0.442
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1  -3.272  -2.025  -7.771
    2    H3   PRO   1           HT2      PRO   1  -2.337  -1.276  -8.882
    3    HA   PRO   1           HA       PRO   1  -0.641  -2.275  -8.201
    4    HB2  PRO   1           HB2      PRO   1  -0.798  -1.668  -5.333
    5    HB3  PRO   1           HB3      PRO   1   0.479  -1.288  -6.499
    6    HG2  PRO   1           HG2      PRO   1  -1.185   0.602  -5.564
    7    HG3  PRO   1           HG3      PRO   1  -0.565   0.630  -7.227
    8    HD2  PRO   1           HD2      PRO   1  -3.251  -0.252  -6.216
    9    HD3  PRO   1           HD3      PRO   1  -2.850   0.714  -7.646
   10    H    SER   2           H        SER   2   0.185  -3.994  -6.546
   11    HA   SER   2           HA       SER   2  -1.562  -6.162  -6.596
   12    HB2  SER   2           HB2      SER   2   0.845  -5.718  -4.820
   13    HB3  SER   2           HB3      SER   2   0.073  -7.277  -5.117
   14    HG   SER   2           HG       SER   2   0.644  -7.125  -7.271
   15    H    ILE   3           H        ILE   3  -0.880  -3.879  -3.982
   16    HA   ILE   3           HA       ILE   3  -1.790  -3.523  -1.933
   17    HB   ILE   3           HB       ILE   3  -4.266  -4.845  -3.027
   18   HG12  ILE   3          HG12      ILE   3  -3.516  -1.914  -3.163
   19   HG13  ILE   3          HG13      ILE   3  -3.367  -3.027  -4.519
   20   HG21  ILE   3          HG21      ILE   3  -4.283  -4.461  -0.614
   21   HG22  ILE   3          HG22      ILE   3  -5.436  -3.405  -1.429
   22   HG23  ILE   3          HG23      ILE   3  -3.888  -2.764  -0.875
   23   HD11  ILE   3          HD11      ILE   3  -5.390  -1.672  -4.658
   24   HD12  ILE   3          HD12      ILE   3  -5.932  -2.323  -3.113
   25   HD13  ILE   3          HD13      ILE   3  -5.767  -3.387  -4.507
   26    H    HCS   4           H        HCS   4  -0.408  -4.967  -0.919
   27    HA   HCS   4           HA       HCS   4  -0.923  -7.741  -0.661
   28    HB2  HCS   4           HB1      HCS   4   0.793  -5.973   1.090
   29    HB3  HCS   4           HB2      HCS   4   0.894  -7.720   0.968
   30    HG2  HCS   4           HG1      HCS   4   1.526  -7.499  -1.388
   31    HG3  HCS   4           HG2      HCS   4   1.483  -5.753  -1.213
   32    H    HIS   5           H        HIS   5  -1.330  -4.994   1.522
   33    HA   HIS   5           HA       HIS   5  -3.734  -5.835   2.648
   34    HB2  HIS   5           HB2      HIS   5  -3.053  -6.562   4.880
   35    HB3  HIS   5           HB3      HIS   5  -2.379  -7.633   3.664
   36    HD1  HIS   5           HD1      HIS   5  -1.429  -5.402   6.434
   37    HD2  HIS   5           HD2      HIS   5   0.440  -7.367   3.288
   38    HE1  HIS   5           HE1      HIS   5   1.022  -5.385   6.993
   39    HE2  HIS   5           HE2      HIS   5   2.107  -6.750   5.171
   40    H    VAL   6           H        VAL   6  -2.731  -3.560   1.611
   41    HA   VAL   6           HA       VAL   6  -1.642  -1.902   3.729
   42    HB   VAL   6           HB       VAL   6  -2.030  -0.539   1.212
   43   HG11  VAL   6          HG11      VAL   6  -0.549   0.212   2.983
   44   HG12  VAL   6          HG12      VAL   6   0.355  -0.093   1.501
   45   HG13  VAL   6          HG13      VAL   6   0.412  -1.257   2.822
   46   HG21  VAL   6          HG21      VAL   6  -0.422  -3.090   1.162
   47   HG22  VAL   6          HG22      VAL   6  -0.358  -1.830  -0.072
   48   HG23  VAL   6          HG23      VAL   6  -1.854  -2.726   0.202
   49    H    HIS   7           H        HIS   7  -2.396   0.433   3.718
   50    HA   HIS   7           HA       HIS   7  -5.134   0.586   4.363
   51    HB2  HIS   7           HB2      HIS   7  -3.587   2.050   5.465
   52    HB3  HIS   7           HB3      HIS   7  -3.036   2.716   3.938
   53    HD1  HIS   7           HD1      HIS   7  -5.998   2.816   6.282
   54    HD2  HIS   7           HD2      HIS   7  -4.466   4.840   2.982
   55    HE1  HIS   7           HE1      HIS   7  -7.418   4.876   6.033
   56    HE2  HIS   7           HE2      HIS   7  -6.400   6.148   4.110
   57    H    ARG   8           H        ARG   8  -3.444   2.399   1.773
   58    HA   ARG   8           HA       ARG   8  -5.902   3.097   0.508
   59    HB2  ARG   8           HB2      ARG   8  -3.093   3.223  -0.574
   60    HB3  ARG   8           HB3      ARG   8  -4.497   3.993  -1.281
   61    HG2  ARG   8           HG2      ARG   8  -4.687   5.343   0.827
   62    HG3  ARG   8           HG3      ARG   8  -3.104   4.678   1.278
   63    HD2  ARG   8           HD2      ARG   8  -2.063   5.592  -0.615
   64    HD3  ARG   8           HD3      ARG   8  -3.601   5.980  -1.361
   65    HE   ARG   8           HE       ARG   8  -3.026   7.370   1.113
   66   HH11  ARG   8          HH11      ARG   8  -2.937   7.347  -2.389
   67   HH12  ARG   8          HH12      ARG   8  -2.768   9.073  -2.526
   68   HH21  ARG   8          HH21      ARG   8  -2.804   9.666   0.935
   69   HH22  ARG   8          HH22      ARG   8  -2.680  10.385  -0.637
   70    HA   PRO   9           HA       PRO   9  -5.838  -0.197  -2.560
   71    HB2  PRO   9           HB2      PRO   9  -7.714   0.715  -4.214
   72    HB3  PRO   9           HB3      PRO   9  -8.130   0.221  -2.568
   73    HG2  PRO   9           HG2      PRO   9  -7.849   2.955  -3.711
   74    HG3  PRO   9           HG3      PRO   9  -8.946   2.369  -2.449
   75    HD2  PRO   9           HD2      PRO   9  -6.487   3.728  -2.067
   76    HD3  PRO   9           HD3      PRO   9  -7.466   2.932  -0.822
   77    H    ASP  10           H        ASP  10  -4.788   2.975  -3.038
   78    HA   ASP  10           HA       ASP  10  -4.161   2.585  -5.870
   79    HB2  ASP  10           HB2      ASP  10  -3.695   5.024  -5.858
   80    HB3  ASP  10           HB3      ASP  10  -5.338   4.641  -5.360
   81    H    TRP  11           H        TRP  11  -2.641   2.411  -2.830
   82    HA   TRP  11           HA       TRP  11  -0.042   2.929  -4.097
   83    HB2  TRP  11           HB2      TRP  11   0.828   3.684  -2.016
   84    HB3  TRP  11           HB3      TRP  11  -0.727   4.443  -2.214
   85    HD1  TRP  11           HD1      TRP  11  -1.658   1.173  -1.004
   86    HE1  TRP  11           HE1      TRP  11  -1.913   1.167   1.535
   87    HE3  TRP  11           HE3      TRP  11   0.726   5.555   0.050
   88    HZ2  TRP  11           HZ2      TRP  11  -1.202   2.820   3.727
   89    HZ3  TRP  11           HZ3      TRP  11   0.898   6.273   2.394
   90    HH2  TRP  11           HH2      TRP  11  -0.045   4.928   4.194
   91    HA   PRO  12           HA       PRO  12   1.211  -1.248  -3.329
   92    HB2  PRO  12           HB2      PRO  12   3.828  -1.045  -2.864
   93    HB3  PRO  12           HB3      PRO  12   3.144  -0.588  -4.432
   94    HG2  PRO  12           HG2      PRO  12   3.915   1.160  -2.126
   95    HG3  PRO  12           HG3      PRO  12   4.271   1.370  -3.838
   96    HD2  PRO  12           HD2      PRO  12   2.241   2.651  -2.579
   97    HD3  PRO  12           HD3      PRO  12   2.194   2.223  -4.297
   98    H    CYS  13           H        CYS  13   3.041  -2.413  -1.728
   99    HA   CYS  13           HA       CYS  13   2.024  -1.876   0.962
  100    HB2  CYS  13           HB2      CYS  13   2.739  -4.122   1.529
  101    HB3  CYS  13           HB3      CYS  13   1.721  -4.155   0.094
  102    H    TRP  14           H        TRP  14   4.287  -0.508  -0.554
  103    HA   TRP  14           HA       TRP  14   6.239  -0.650   1.621
  104    HB2  TRP  14           HB2      TRP  14   8.072  -0.494  -0.164
  105    HB3  TRP  14           HB3      TRP  14   7.294  -2.056   0.061
  106    HD1  TRP  14           HD1      TRP  14   5.727  -2.936  -1.878
  107    HE1  TRP  14           HE1      TRP  14   5.561  -2.338  -4.379
  108    HE3  TRP  14           HE3      TRP  14   8.264   1.485  -1.805
  109    HZ2  TRP  14           HZ2      TRP  14   6.376  -0.236  -6.082
  110    HZ3  TRP  14           HZ3      TRP  14   8.508   2.745  -3.895
  111    HH2  TRP  14           HH2      TRP  14   7.583   1.901  -5.991
  112    H    TYR  15           H        TYR  15   5.346   1.020  -1.365
  113    HA   TYR  15           HA       TYR  15   5.646   3.142  -2.085
  114    HB2  TYR  15           HB2      TYR  15   4.403   4.780  -0.508
  115    HB3  TYR  15           HB3      TYR  15   3.521   3.484  -1.297
  116    HD1  TYR  15           HD1      TYR  15   4.598   4.854   1.897
  117    HD2  TYR  15           HD2      TYR  15   2.847   1.500  -0.038
  118    HE1  TYR  15           HE1      TYR  15   3.808   4.026   4.064
  119    HE2  TYR  15           HE2      TYR  15   2.056   0.664   2.113
  120    HH   TYR  15           HH       TYR  15   2.190   2.579   4.996
  121    H    ARG  16           H        ARG  16   7.796   3.481  -2.155
  122    HA   ARG  16           HA       ARG  16   8.918   5.053   0.062
  123    HB2  ARG  16           HB2      ARG  16  10.229   2.958  -1.666
  124    HB3  ARG  16           HB3      ARG  16  11.140   4.076  -0.660
  125    HG2  ARG  16           HG2      ARG  16  10.367   3.133   1.313
  126    HG3  ARG  16           HG3      ARG  16   8.980   2.374   0.523
  127    HD2  ARG  16           HD2      ARG  16  10.860   0.827   1.191
  128    HD3  ARG  16           HD3      ARG  16  10.347   0.727  -0.491
  129    HE   ARG  16           HE       ARG  16  12.388   2.489  -0.595
  130   HH11  ARG  16          HH11      ARG  16  12.087  -0.686   0.839
  131   HH12  ARG  16          HH12      ARG  16  13.747  -1.106   0.564
  132   HH21  ARG  16          HH21      ARG  16  14.567   1.931  -0.982
  133   HH22  ARG  16          HH22      ARG  16  15.159   0.379  -0.478
  Start of MODEL   11
    1    H2   PRO   1           HT1      PRO   1  -1.578  -1.770  -8.489
    2    H3   PRO   1           HT2      PRO   1  -0.386  -1.082  -9.362
    3    HA   PRO   1           HA       PRO   1   1.036  -2.037  -8.164
    4    HB2  PRO   1           HB2      PRO   1   0.303  -1.010  -5.532
    5    HB3  PRO   1           HB3      PRO   1   1.767  -0.720  -6.485
    6    HG2  PRO   1           HG2      PRO   1  -0.109   1.188  -6.144
    7    HG3  PRO   1           HG3      PRO   1   0.842   1.040  -7.634
    8    HD2  PRO   1           HD2      PRO   1  -1.962   0.094  -7.082
    9    HD3  PRO   1           HD3      PRO   1  -1.333   0.960  -8.496
   10    H    SER   2           H        SER   2   1.453  -3.665  -6.461
   11    HA   SER   2           HA       SER   2  -0.742  -5.487  -6.287
   12    HB2  SER   2           HB2      SER   2   1.974  -5.619  -4.964
   13    HB3  SER   2           HB3      SER   2   0.849  -6.960  -5.159
   14    HG   SER   2           HG       SER   2   1.102  -6.775  -7.410
   15    H    ILE   3           H        ILE   3  -2.360  -5.065  -4.944
   16    HA   ILE   3           HA       ILE   3  -1.959  -3.692  -2.447
   17    HB   ILE   3           HB       ILE   3  -4.446  -5.094  -3.431
   18   HG12  ILE   3          HG12      ILE   3  -3.683  -2.177  -3.681
   19   HG13  ILE   3          HG13      ILE   3  -3.639  -3.341  -5.000
   20   HG21  ILE   3          HG21      ILE   3  -4.477  -4.665  -1.043
   21   HG22  ILE   3          HG22      ILE   3  -5.605  -3.590  -1.871
   22   HG23  ILE   3          HG23      ILE   3  -4.047  -2.976  -1.322
   23   HD11  ILE   3          HD11      ILE   3  -6.098  -2.522  -3.475
   24   HD12  ILE   3          HD12      ILE   3  -6.039  -3.639  -4.838
   25   HD13  ILE   3          HD13      ILE   3  -5.630  -1.938  -5.069
   26    H    HCS   4           H        HCS   4  -0.840  -4.851  -0.989
   27    HA   HCS   4           HA       HCS   4  -1.300  -7.658  -0.603
   28    HB2  HCS   4           HB1      HCS   4   0.345  -5.752   1.065
   29    HB3  HCS   4           HB2      HCS   4   0.398  -7.510   1.145
   30    HG2  HCS   4           HG1      HCS   4   1.132  -7.535  -1.226
   31    HG3  HCS   4           HG2      HCS   4   1.210  -5.783  -1.179
   32    H    HIS   5           H        HIS   5  -1.838  -4.715   1.246
   33    HA   HIS   5           HA       HIS   5  -4.424  -5.329   1.966
   34    HB2  HIS   5           HB2      HIS   5  -4.225  -5.680   4.426
   35    HB3  HIS   5           HB3      HIS   5  -3.610  -7.027   3.482
   36    HD1  HIS   5           HD1      HIS   5  -2.698  -4.747   6.176
   37    HD2  HIS   5           HD2      HIS   5  -0.723  -7.151   3.421
   38    HE1  HIS   5           HE1      HIS   5  -0.349  -4.979   7.044
   39    HE2  HIS   5           HE2      HIS   5   0.796  -6.535   5.425
   40    H    VAL   6           H        VAL   6  -1.688  -3.910   3.618
   41    HA   VAL   6           HA       VAL   6  -1.205  -1.793   4.306
   42    HB   VAL   6           HB       VAL   6  -2.157  -0.576   1.815
   43   HG11  VAL   6          HG11      VAL   6   0.135   0.172   1.692
   44   HG12  VAL   6          HG12      VAL   6   0.588  -0.909   3.010
   45   HG13  VAL   6          HG13      VAL   6  -0.507   0.440   3.312
   46   HG21  VAL   6          HG21      VAL   6  -0.617  -1.753   0.350
   47   HG22  VAL   6          HG22      VAL   6  -1.831  -2.861   0.995
   48   HG23  VAL   6          HG23      VAL   6  -0.198  -2.859   1.660
   49    H    HIS   7           H        HIS   7  -2.365   0.610   3.115
   50    HA   HIS   7           HA       HIS   7  -4.844   0.763   4.673
   51    HB2  HIS   7           HB2      HIS   7  -3.090   2.198   5.554
   52    HB3  HIS   7           HB3      HIS   7  -2.823   2.896   3.968
   53    HD1  HIS   7           HD1      HIS   7  -5.505   2.815   6.663
   54    HD2  HIS   7           HD2      HIS   7  -4.278   5.090   3.402
   55    HE1  HIS   7           HE1      HIS   7  -6.880   4.920   6.749
   56    HE2  HIS   7           HE2      HIS   7  -6.239   6.195   4.674
   57    H    ARG   8           H        ARG   8  -3.387   2.544   1.910
   58    HA   ARG   8           HA       ARG   8  -5.971   3.143   0.846
   59    HB2  ARG   8           HB2      ARG   8  -3.316   3.439  -0.552
   60    HB3  ARG   8           HB3      ARG   8  -4.803   4.276  -0.927
   61    HG2  ARG   8           HG2      ARG   8  -4.551   5.095   1.552
   62    HG3  ARG   8           HG3      ARG   8  -2.850   4.768   1.226
   63    HD2  ARG   8           HD2      ARG   8  -4.706   6.677  -0.135
   64    HD3  ARG   8           HD3      ARG   8  -3.173   7.010   0.657
   65    HE   ARG   8           HE       ARG   8  -3.090   5.356  -1.743
   66   HH11  ARG   8          HH11      ARG   8  -2.670   8.495  -0.273
   67   HH12  ARG   8          HH12      ARG   8  -1.736   9.137  -1.586
   68   HH21  ARG   8          HH21      ARG   8  -1.923   6.217  -3.539
   69   HH22  ARG   8          HH22      ARG   8  -1.317   7.845  -3.440
   70    HA   PRO   9           HA       PRO   9  -6.215  -0.298  -1.983
   71    HB2  PRO   9           HB2      PRO   9  -8.379   0.476  -3.343
   72    HB3  PRO   9           HB3      PRO   9  -8.487   0.054  -1.630
   73    HG2  PRO   9           HG2      PRO   9  -8.535   2.724  -2.929
   74    HG3  PRO   9           HG3      PRO   9  -9.341   2.176  -1.450
   75    HD2  PRO   9           HD2      PRO   9  -6.909   3.634  -1.643
   76    HD3  PRO   9           HD3      PRO   9  -7.612   2.920  -0.182
   77    H    ASP  10           H        ASP  10  -4.746   2.367  -2.596
   78    HA   ASP  10           HA       ASP  10  -4.775   2.227  -5.536
   79    HB2  ASP  10           HB2      ASP  10  -5.608   4.353  -5.054
   80    HB3  ASP  10           HB3      ASP  10  -4.590   4.544  -3.631
   81    H    TRP  11           H        TRP  11  -2.882   2.108  -2.662
   82    HA   TRP  11           HA       TRP  11  -0.433   2.526  -4.220
   83    HB2  TRP  11           HB2      TRP  11   0.574   3.530  -2.302
   84    HB3  TRP  11           HB3      TRP  11  -1.033   4.212  -2.440
   85    HD1  TRP  11           HD1      TRP  11  -1.689   1.046  -0.873
   86    HE1  TRP  11           HE1      TRP  11  -1.766   1.267   1.663
   87    HE3  TRP  11           HE3      TRP  11   0.460   5.643  -0.380
   88    HZ2  TRP  11           HZ2      TRP  11  -1.019   3.129   3.645
   89    HZ3  TRP  11           HZ3      TRP  11   0.737   6.579   1.872
   90    HH2  TRP  11           HH2      TRP  11   0.014   5.340   3.844
   91    HA   PRO  12           HA       PRO  12   0.980  -1.549  -3.263
   92    HB2  PRO  12           HB2      PRO  12   3.632  -1.249  -2.889
   93    HB3  PRO  12           HB3      PRO  12   2.879  -1.003  -4.470
   94    HG2  PRO  12           HG2      PRO  12   3.702   1.023  -2.427
   95    HG3  PRO  12           HG3      PRO  12   3.941   1.050  -4.171
   96    HD2  PRO  12           HD2      PRO  12   1.951   2.422  -2.949
   97    HD3  PRO  12           HD3      PRO  12   1.804   1.777  -4.595
   98    H    CYS  13           H        CYS  13   2.864  -2.598  -1.663
   99    HA   CYS  13           HA       CYS  13   1.919  -1.887   1.008
  100    HB2  CYS  13           HB2      CYS  13   2.702  -4.109   1.696
  101    HB3  CYS  13           HB3      CYS  13   1.541  -4.200   0.376
  102    H    TRP  14           H        TRP  14   4.106  -0.587  -0.621
  103    HA   TRP  14           HA       TRP  14   6.112  -0.556   1.496
  104    HB2  TRP  14           HB2      TRP  14   7.932  -0.542  -0.309
  105    HB3  TRP  14           HB3      TRP  14   7.173  -2.089   0.044
  106    HD1  TRP  14           HD1      TRP  14   5.566  -3.107  -1.814
  107    HE1  TRP  14           HE1      TRP  14   5.392  -2.702  -4.347
  108    HE3  TRP  14           HE3      TRP  14   8.166   1.257  -2.085
  109    HZ2  TRP  14           HZ2      TRP  14   6.242  -0.759  -6.212
  110    HZ3  TRP  14           HZ3      TRP  14   8.429   2.346  -4.261
  111    HH2  TRP  14           HH2      TRP  14   7.486   1.359  -6.286
  112    H    TYR  15           H        TYR  15   5.251   0.829  -1.656
  113    HA   TYR  15           HA       TYR  15   5.528   2.902  -2.537
  114    HB2  TYR  15           HB2      TYR  15   4.258   4.655  -1.115
  115    HB3  TYR  15           HB3      TYR  15   3.383   3.290  -1.785
  116    HD1  TYR  15           HD1      TYR  15   2.740   1.418  -0.349
  117    HD2  TYR  15           HD2      TYR  15   4.448   4.951   1.273
  118    HE1  TYR  15           HE1      TYR  15   1.970   0.760   1.865
  119    HE2  TYR  15           HE2      TYR  15   3.669   4.305   3.511
  120    HH   TYR  15           HH       TYR  15   2.595   1.223   4.264
  121    H    ARG  16           H        ARG  16   7.705   3.278  -2.573
  122    HA   ARG  16           HA       ARG  16   8.764   4.932  -0.389
  123    HB2  ARG  16           HB2      ARG  16  10.247   2.672  -1.743
  124    HB3  ARG  16           HB3      ARG  16  10.851   3.695  -0.445
  125    HG2  ARG  16           HG2      ARG  16   9.312   2.759   1.117
  126    HG3  ARG  16           HG3      ARG  16   8.444   1.915  -0.165
  127    HD2  ARG  16           HD2      ARG  16   9.919   0.423   1.129
  128    HD3  ARG  16           HD3      ARG  16  10.342   0.487  -0.581
  129    HE   ARG  16           HE       ARG  16  11.792   2.285   1.191
  130   HH11  ARG  16          HH11      ARG  16  11.786  -0.751  -0.563
  131   HH12  ARG  16          HH12      ARG  16  13.503  -0.974  -0.430
  132   HH21  ARG  16          HH21      ARG  16  14.039   2.005   1.359
  133   HH22  ARG  16          HH22      ARG  16  14.788   0.621   0.629
  Start of MODEL   12
    1    H2   PRO   1           HT1      PRO   1  -2.435  -2.176  -7.984
    2    H3   PRO   1           HT2      PRO   1  -1.608  -1.595  -9.262
    3    HA   PRO   1           HA       PRO   1   0.249  -2.069  -8.420
    4    HB2  PRO   1           HB2      PRO   1   0.389  -1.294  -5.772
    5    HB3  PRO   1           HB3      PRO   1   0.851  -0.292  -7.158
    6    HG2  PRO   1           HG2      PRO   1  -1.706  -0.341  -5.621
    7    HG3  PRO   1           HG3      PRO   1  -0.832   1.041  -6.310
    8    HD2  PRO   1           HD2      PRO   1  -3.021   0.058  -7.494
    9    HD3  PRO   1           HD3      PRO   1  -1.652   0.648  -8.449
   10    H    SER   2           H        SER   2   1.271  -3.342  -6.487
   11    HA   SER   2           HA       SER   2  -0.308  -5.681  -6.145
   12    HB2  SER   2           HB2      SER   2   2.308  -4.956  -4.813
   13    HB3  SER   2           HB3      SER   2   1.617  -6.571  -4.951
   14    HG   SER   2           HG       SER   2   1.698  -5.774  -7.388
   15    H    ILE   3           H        ILE   3  -2.109  -5.259  -4.933
   16    HA   ILE   3           HA       ILE   3  -1.902  -3.881  -2.408
   17    HB   ILE   3           HB       ILE   3  -4.229  -5.283  -3.692
   18   HG12  ILE   3          HG12      ILE   3  -3.417  -3.236  -4.816
   19   HG13  ILE   3          HG13      ILE   3  -5.036  -3.045  -4.167
   20   HG21  ILE   3          HG21      ILE   3  -4.177  -3.595  -1.196
   21   HG22  ILE   3          HG22      ILE   3  -4.473  -5.331  -1.272
   22   HG23  ILE   3          HG23      ILE   3  -5.627  -4.206  -1.989
   23   HD11  ILE   3          HD11      ILE   3  -3.720  -1.055  -3.792
   24   HD12  ILE   3          HD12      ILE   3  -2.489  -2.002  -2.954
   25   HD13  ILE   3          HD13      ILE   3  -4.099  -1.829  -2.251
   26    H    HCS   4           H        HCS   4  -0.735  -5.004  -1.012
   27    HA   HCS   4           HA       HCS   4  -1.181  -7.801  -0.549
   28    HB2  HCS   4           HB1      HCS   4   0.421  -5.871   1.123
   29    HB3  HCS   4           HB2      HCS   4   0.537  -7.626   1.135
   30    HG2  HCS   4           HG1      HCS   4   1.278  -7.545  -1.218
   31    HG3  HCS   4           HG2      HCS   4   1.255  -5.793  -1.137
   32    H    HIS   5           H        HIS   5  -1.962  -4.747   0.927
   33    HA   HIS   5           HA       HIS   5  -4.454  -5.329   1.786
   34    HB2  HIS   5           HB2      HIS   5  -4.317  -5.646   4.229
   35    HB3  HIS   5           HB3      HIS   5  -3.613  -6.995   3.355
   36    HD1  HIS   5           HD1      HIS   5  -2.939  -4.654   6.038
   37    HD2  HIS   5           HD2      HIS   5  -0.714  -7.002   3.435
   38    HE1  HIS   5           HE1      HIS   5  -0.629  -4.748   7.023
   39    HE2  HIS   5           HE2      HIS   5   0.733  -6.086   5.380
   40    H    VAL   6           H        VAL   6  -1.775  -3.888   3.520
   41    HA   VAL   6           HA       VAL   6  -1.310  -1.784   4.217
   42    HB   VAL   6           HB       VAL   6  -2.162  -0.496   1.743
   43   HG11  VAL   6          HG11      VAL   6   0.128   0.236   1.712
   44   HG12  VAL   6          HG12      VAL   6   0.559  -0.951   2.945
   45   HG13  VAL   6          HG13      VAL   6  -0.515   0.389   3.347
   46   HG21  VAL   6          HG21      VAL   6  -0.281  -2.842   1.543
   47   HG22  VAL   6          HG22      VAL   6  -0.602  -1.659   0.275
   48   HG23  VAL   6          HG23      VAL   6  -1.886  -2.737   0.822
   49    H    HIS   7           H        HIS   7  -2.261   0.709   3.387
   50    HA   HIS   7           HA       HIS   7  -4.852   0.853   4.725
   51    HB2  HIS   7           HB2      HIS   7  -3.155   2.343   5.586
   52    HB3  HIS   7           HB3      HIS   7  -2.811   2.951   3.977
   53    HD1  HIS   7           HD1      HIS   7  -5.498   3.087   6.623
   54    HD2  HIS   7           HD2      HIS   7  -4.278   5.103   3.204
   55    HE1  HIS   7           HE1      HIS   7  -6.891   5.175   6.542
   56    HE2  HIS   7           HE2      HIS   7  -5.951   6.487   4.608
   57    H    ARG   8           H        ARG   8  -3.356   2.528   1.939
   58    HA   ARG   8           HA       ARG   8  -5.912   3.129   0.807
   59    HB2  ARG   8           HB2      ARG   8  -3.218   3.321  -0.535
   60    HB3  ARG   8           HB3      ARG   8  -4.689   4.146  -1.003
   61    HG2  ARG   8           HG2      ARG   8  -4.580   5.322   1.231
   62    HG3  ARG   8           HG3      ARG   8  -2.943   4.659   1.364
   63    HD2  ARG   8           HD2      ARG   8  -2.296   5.715  -0.690
   64    HD3  ARG   8           HD3      ARG   8  -3.939   6.294  -0.945
   65    HE   ARG   8           HE       ARG   8  -3.001   7.266   1.518
   66   HH11  ARG   8          HH11      ARG   8  -2.466   7.631  -1.913
   67   HH12  ARG   8          HH12      ARG   8  -1.916   9.272  -1.788
   68   HH21  ARG   8          HH21      ARG   8  -2.283   9.428   1.698
   69   HH22  ARG   8          HH22      ARG   8  -1.850  10.310   0.269
   70    HA   PRO   9           HA       PRO   9  -5.959  -0.347  -2.021
   71    HB2  PRO   9           HB2      PRO   9  -8.006   0.386  -3.558
   72    HB3  PRO   9           HB3      PRO   9  -8.253  -0.025  -1.858
   73    HG2  PRO   9           HG2      PRO   9  -8.222   2.638  -3.178
   74    HG3  PRO   9           HG3      PRO   9  -9.147   2.087  -1.771
   75    HD2  PRO   9           HD2      PRO   9  -6.733   3.575  -1.760
   76    HD3  PRO   9           HD3      PRO   9  -7.548   2.851  -0.362
   77    H    ASP  10           H        ASP  10  -4.959   2.752  -2.748
   78    HA   ASP  10           HA       ASP  10  -4.591   2.228  -5.607
   79    HB2  ASP  10           HB2      ASP  10  -4.231   4.651  -5.807
   80    HB3  ASP  10           HB3      ASP  10  -5.786   4.287  -5.071
   81    H    TRP  11           H        TRP  11  -2.852   2.223  -2.694
   82    HA   TRP  11           HA       TRP  11  -0.359   2.679  -4.179
   83    HB2  TRP  11           HB2      TRP  11   0.634   3.621  -2.234
   84    HB3  TRP  11           HB3      TRP  11  -0.953   4.339  -2.378
   85    HD1  TRP  11           HD1      TRP  11  -1.733   1.168  -0.864
   86    HE1  TRP  11           HE1      TRP  11  -1.813   1.339   1.676
   87    HE3  TRP  11           HE3      TRP  11   0.605   5.659  -0.293
   88    HZ2  TRP  11           HZ2      TRP  11  -0.991   3.153   3.697
   89    HZ3  TRP  11           HZ3      TRP  11   0.918   6.547   1.975
   90    HH2  TRP  11           HH2      TRP  11   0.132   5.314   3.927
   91    HA   PRO  12           HA       PRO  12   0.905  -1.434  -3.213
   92    HB2  PRO  12           HB2      PRO  12   3.557  -1.257  -2.876
   93    HB3  PRO  12           HB3      PRO  12   2.805  -0.926  -4.439
   94    HG2  PRO  12           HG2      PRO  12   3.729   1.006  -2.345
   95    HG3  PRO  12           HG3      PRO  12   3.969   1.066  -4.087
   96    HD2  PRO  12           HD2      PRO  12   2.041   2.484  -2.812
   97    HD3  PRO  12           HD3      PRO  12   1.880   1.915  -4.483
   98    H    CYS  13           H        CYS  13   2.769  -2.551  -1.633
   99    HA   CYS  13           HA       CYS  13   1.843  -1.865   1.042
  100    HB2  CYS  13           HB2      CYS  13   2.646  -4.074   1.703
  101    HB3  CYS  13           HB3      CYS  13   1.525  -4.178   0.349
  102    H    TRP  14           H        TRP  14   4.082  -0.556  -0.584
  103    HA   TRP  14           HA       TRP  14   6.061  -0.551   1.560
  104    HB2  TRP  14           HB2      TRP  14   7.889  -0.550  -0.237
  105    HB3  TRP  14           HB3      TRP  14   7.104  -2.086   0.114
  106    HD1  TRP  14           HD1      TRP  14   5.497  -3.083  -1.762
  107    HE1  TRP  14           HE1      TRP  14   5.341  -2.669  -4.295
  108    HE3  TRP  14           HE3      TRP  14   8.115   1.268  -1.997
  109    HZ2  TRP  14           HZ2      TRP  14   6.205  -0.704  -6.148
  110    HZ3  TRP  14           HZ3      TRP  14   8.386   2.378  -4.162
  111    HH2  TRP  14           HH2      TRP  14   7.454   1.407  -6.200
  112    H    TYR  15           H        TYR  15   5.230   0.892  -1.576
  113    HA   TYR  15           HA       TYR  15   5.505   2.970  -2.425
  114    HB2  TYR  15           HB2      TYR  15   4.291   4.735  -0.963
  115    HB3  TYR  15           HB3      TYR  15   3.378   3.390  -1.625
  116    HD1  TYR  15           HD1      TYR  15   4.555   4.982   1.439
  117    HD2  TYR  15           HD2      TYR  15   2.711   1.529  -0.215
  118    HE1  TYR  15           HE1      TYR  15   3.806   4.311   3.683
  119    HE2  TYR  15           HE2      TYR  15   1.966   0.852   2.000
  120    HH   TYR  15           HH       TYR  15   2.592   1.220   4.355
  121    H    ARG  16           H        ARG  16   7.672   3.299  -2.520
  122    HA   ARG  16           HA       ARG  16   8.857   4.934  -0.390
  123    HB2  ARG  16           HB2      ARG  16  10.199   2.554  -1.695
  124    HB3  ARG  16           HB3      ARG  16  10.889   3.586  -0.451
  125    HG2  ARG  16           HG2      ARG  16   9.369   2.782   1.186
  126    HG3  ARG  16           HG3      ARG  16   8.399   1.958  -0.036
  127    HD2  ARG  16           HD2      ARG  16   9.767   0.359   1.165
  128    HD3  ARG  16           HD3      ARG  16  10.289   0.468  -0.518
  129    HE   ARG  16           HE       ARG  16  11.944   2.199   0.663
  130   HH11  ARG  16          HH11      ARG  16  11.016  -1.049   1.592
  131   HH12  ARG  16          HH12      ARG  16  12.512  -1.368   2.414
  132   HH21  ARG  16          HH21      ARG  16  13.917   1.759   1.724
  133   HH22  ARG  16          HH22      ARG  16  14.156   0.217   2.487
  Start of MODEL   13
    1    H2   PRO   1           HT1      PRO   1  -2.146  -1.777  -8.140
    2    H3   PRO   1           HT2      PRO   1  -0.990  -1.253  -9.171
    3    HA   PRO   1           HA       PRO   1   0.374  -2.513  -8.209
    4    HB2  PRO   1           HB2      PRO   1   0.373  -1.409  -5.528
    5    HB3  PRO   1           HB3      PRO   1   1.624  -1.309  -6.774
    6    HG2  PRO   1           HG2      PRO   1   0.123   0.823  -6.017
    7    HG3  PRO   1           HG3      PRO   1   0.782   0.626  -7.653
    8    HD2  PRO   1           HD2      PRO   1  -1.995   0.055  -6.649
    9    HD3  PRO   1           HD3      PRO   1  -1.492   0.873  -8.140
   10    H    SER   2           H        SER   2   0.729  -4.243  -6.701
   11    HA   SER   2           HA       SER   2  -1.642  -5.624  -6.053
   12    HB2  SER   2           HB2      SER   2   1.180  -6.194  -5.123
   13    HB3  SER   2           HB3      SER   2  -0.167  -7.332  -5.146
   14    HG   SER   2           HG       SER   2  -0.219  -7.067  -7.442
   15    H    ILE   3           H        ILE   3  -2.949  -4.954  -4.495
   16    HA   ILE   3           HA       ILE   3  -2.042  -3.677  -2.092
   17    HB   ILE   3           HB       ILE   3  -4.757  -4.879  -2.630
   18   HG12  ILE   3          HG12      ILE   3  -3.898  -2.011  -3.057
   19   HG13  ILE   3          HG13      ILE   3  -4.023  -3.191  -4.358
   20   HG21  ILE   3          HG21      ILE   3  -5.529  -3.281  -0.938
   21   HG22  ILE   3          HG22      ILE   3  -3.871  -2.734  -0.701
   22   HG23  ILE   3          HG23      ILE   3  -4.320  -4.385  -0.278
   23   HD11  ILE   3          HD11      ILE   3  -6.401  -3.423  -3.941
   24   HD12  ILE   3          HD12      ILE   3  -5.978  -1.740  -4.238
   25   HD13  ILE   3          HD13      ILE   3  -6.288  -2.292  -2.594
   26    H    HCS   4           H        HCS   4  -0.682  -5.048  -1.049
   27    HA   HCS   4           HA       HCS   4  -1.223  -7.793  -0.574
   28    HB2  HCS   4           HB1      HCS   4   0.661  -6.000   0.961
   29    HB3  HCS   4           HB2      HCS   4   0.723  -7.752   0.859
   30    HG2  HCS   4           HG1      HCS   4   1.194  -7.561  -1.553
   31    HG3  HCS   4           HG2      HCS   4   1.212  -5.811  -1.388
   32    H    HIS   5           H        HIS   5  -1.293  -4.948   1.518
   33    HA   HIS   5           HA       HIS   5  -3.606  -5.604   2.924
   34    HB2  HIS   5           HB2      HIS   5  -2.684  -6.285   5.115
   35    HB3  HIS   5           HB3      HIS   5  -2.346  -7.464   3.861
   36    HD1  HIS   5           HD1      HIS   5  -0.727  -5.440   6.430
   37    HD2  HIS   5           HD2      HIS   5   0.400  -7.438   2.971
   38    HE1  HIS   5           HE1      HIS   5   1.766  -5.717   6.591
   39    HE2  HIS   5           HE2      HIS   5   2.444  -6.841   4.439
   40    H    VAL   6           H        VAL   6  -2.734  -3.401   1.759
   41    HA   VAL   6           HA       VAL   6  -1.360  -1.718   3.716
   42    HB   VAL   6           HB       VAL   6  -1.913  -0.428   1.182
   43   HG11  VAL   6          HG11      VAL   6  -0.275   0.372   2.781
   44   HG12  VAL   6          HG12      VAL   6   0.505  -0.037   1.254
   45   HG13  VAL   6          HG13      VAL   6   0.638  -1.130   2.630
   46   HG21  VAL   6          HG21      VAL   6  -0.350  -3.001   1.108
   47   HG22  VAL   6          HG22      VAL   6  -0.372  -1.789  -0.174
   48   HG23  VAL   6          HG23      VAL   6  -1.849  -2.655   0.250
   49    H    HIS   7           H        HIS   7  -2.043   0.644   3.671
   50    HA   HIS   7           HA       HIS   7  -4.711   0.920   4.533
   51    HB2  HIS   7           HB2      HIS   7  -2.995   2.361   5.412
   52    HB3  HIS   7           HB3      HIS   7  -2.606   2.957   3.808
   53    HD1  HIS   7           HD1      HIS   7  -5.266   3.244   6.477
   54    HD2  HIS   7           HD2      HIS   7  -4.076   5.103   2.950
   55    HE1  HIS   7           HE1      HIS   7  -6.650   5.339   6.319
   56    HE2  HIS   7           HE2      HIS   7  -5.957   6.421   4.151
   57    H    ARG   8           H        ARG   8  -3.207   2.610   1.741
   58    HA   ARG   8           HA       ARG   8  -5.749   3.292   0.651
   59    HB2  ARG   8           HB2      ARG   8  -3.070   3.303  -0.736
   60    HB3  ARG   8           HB3      ARG   8  -4.508   4.145  -1.261
   61    HG2  ARG   8           HG2      ARG   8  -4.368   5.526   0.816
   62    HG3  ARG   8           HG3      ARG   8  -2.801   4.753   1.128
   63    HD2  ARG   8           HD2      ARG   8  -1.949   5.529  -0.982
   64    HD3  ARG   8           HD3      ARG   8  -3.517   6.211  -1.397
   65    HE   ARG   8           HE       ARG   8  -2.461   7.311   1.016
   66   HH11  ARG   8          HH11      ARG   8  -2.337   7.511  -2.478
   67   HH12  ARG   8          HH12      ARG   8  -1.732   9.133  -2.493
   68   HH21  ARG   8          HH21      ARG   8  -1.658   9.454   0.997
   69   HH22  ARG   8          HH22      ARG   8  -1.348  10.236  -0.519
   70    HA   PRO   9           HA       PRO   9  -6.002  -0.186  -2.214
   71    HB2  PRO   9           HB2      PRO   9  -8.095   0.634  -3.653
   72    HB3  PRO   9           HB3      PRO   9  -8.289   0.181  -1.957
   73    HG2  PRO   9           HG2      PRO   9  -8.277   2.869  -3.205
   74    HG3  PRO   9           HG3      PRO   9  -9.109   2.309  -1.747
   75    HD2  PRO   9           HD2      PRO   9  -6.633   3.728  -1.905
   76    HD3  PRO   9           HD3      PRO   9  -7.407   3.075  -0.455
   77    H    ASP  10           H        ASP  10  -4.724   2.710  -2.749
   78    HA   ASP  10           HA       ASP  10  -4.639   2.569  -5.676
   79    HB2  ASP  10           HB2      ASP  10  -5.559   4.642  -4.886
   80    HB3  ASP  10           HB3      ASP  10  -4.243   4.855  -3.739
   81    H    TRP  11           H        TRP  11  -2.732   2.320  -2.827
   82    HA   TRP  11           HA       TRP  11  -0.282   2.703  -4.394
   83    HB2  TRP  11           HB2      TRP  11   0.798   3.573  -2.448
   84    HB3  TRP  11           HB3      TRP  11  -0.760   4.358  -2.565
   85    HD1  TRP  11           HD1      TRP  11  -1.619   1.181  -1.091
   86    HE1  TRP  11           HE1      TRP  11  -1.684   1.332   1.456
   87    HE3  TRP  11           HE3      TRP  11   0.861   5.603  -0.478
   88    HZ2  TRP  11           HZ2      TRP  11  -0.804   3.083   3.471
   89    HZ3  TRP  11           HZ3      TRP  11   1.212   6.438   1.809
   90    HH2  TRP  11           HH2      TRP  11   0.390   5.194   3.735
   91    HA   PRO  12           HA       PRO  12   0.967  -1.438  -3.493
   92    HB2  PRO  12           HB2      PRO  12   3.625  -1.269  -3.241
   93    HB3  PRO  12           HB3      PRO  12   2.829  -0.914  -4.778
   94    HG2  PRO  12           HG2      PRO  12   3.816   0.980  -2.682
   95    HG3  PRO  12           HG3      PRO  12   4.017   1.067  -4.424
   96    HD2  PRO  12           HD2      PRO  12   2.128   2.469  -3.086
   97    HD3  PRO  12           HD3      PRO  12   1.915   1.926  -4.760
   98    H    CYS  13           H        CYS  13   2.718  -2.660  -1.973
   99    HA   CYS  13           HA       CYS  13   1.918  -1.960   0.739
  100    HB2  CYS  13           HB2      CYS  13   2.725  -4.178   1.350
  101    HB3  CYS  13           HB3      CYS  13   1.578  -4.269   0.019
  102    H    TRP  14           H        TRP  14   4.141  -0.760  -1.022
  103    HA   TRP  14           HA       TRP  14   6.129  -0.701   1.118
  104    HB2  TRP  14           HB2      TRP  14   7.908  -0.627  -0.726
  105    HB3  TRP  14           HB3      TRP  14   7.177  -2.183  -0.359
  106    HD1  TRP  14           HD1      TRP  14   5.492  -3.190  -2.182
  107    HE1  TRP  14           HE1      TRP  14   5.293  -2.799  -4.714
  108    HE3  TRP  14           HE3      TRP  14   8.158   1.133  -2.504
  109    HZ2  TRP  14           HZ2      TRP  14   6.152  -0.865  -6.604
  110    HZ3  TRP  14           HZ3      TRP  14   8.421   2.207  -4.696
  111    HH2  TRP  14           HH2      TRP  14   7.431   1.226  -6.703
  112    H    TYR  15           H        TYR  15   5.312   0.741  -2.013
  113    HA   TYR  15           HA       TYR  15   5.490   2.777  -2.902
  114    HB2  TYR  15           HB2      TYR  15   4.570   4.683  -1.360
  115    HB3  TYR  15           HB3      TYR  15   3.515   3.441  -1.996
  116    HD1  TYR  15           HD1      TYR  15   4.765   5.021   0.998
  117    HD2  TYR  15           HD2      TYR  15   2.877   1.526  -0.523
  118    HE1  TYR  15           HE1      TYR  15   4.013   4.446   3.266
  119    HE2  TYR  15           HE2      TYR  15   2.132   0.945   1.724
  120    HH   TYR  15           HH       TYR  15   2.917   1.444   4.136
  121    H    ARG  16           H        ARG  16   6.528   3.668   0.409
  122    HA   ARG  16           HA       ARG  16   8.493   4.515   1.177
  123    HB2  ARG  16           HB2      ARG  16   9.590   3.227  -1.328
  124    HB3  ARG  16           HB3      ARG  16  10.553   3.770   0.039
  125    HG2  ARG  16           HG2      ARG  16   9.671   2.106   1.450
  126    HG3  ARG  16           HG3      ARG  16   8.371   1.732   0.321
  127    HD2  ARG  16           HD2      ARG  16   9.964   0.829  -1.258
  128    HD3  ARG  16           HD3      ARG  16  11.306   1.263  -0.198
  129    HE   ARG  16           HE       ARG  16   9.551  -0.374   1.229
  130   HH11  ARG  16          HH11      ARG  16  11.729  -0.602  -1.508
  131   HH12  ARG  16          HH12      ARG  16  12.037  -2.296  -1.280
  132   HH21  ARG  16          HH21      ARG  16   9.948  -2.591   1.522
  133   HH22  ARG  16          HH22      ARG  16  11.039  -3.424   0.461
  Start of MODEL   14
    1    H2   PRO   1           HT1      PRO   1  -3.362  -2.077  -7.623
    2    H3   PRO   1           HT2      PRO   1  -2.442  -1.217  -8.661
    3    HA   PRO   1           HA       PRO   1  -0.848  -2.503  -8.269
    4    HB2  PRO   1           HB2      PRO   1  -0.473  -2.094  -5.415
    5    HB3  PRO   1           HB3      PRO   1   0.549  -1.574  -6.763
    6    HG2  PRO   1           HG2      PRO   1  -0.933   0.155  -5.284
    7    HG3  PRO   1           HG3      PRO   1  -0.537   0.425  -6.990
    8    HD2  PRO   1           HD2      PRO   1  -3.070  -0.623  -5.774
    9    HD3  PRO   1           HD3      PRO   1  -2.862   0.560  -7.076
   10    H    SER   2           H        SER   2   0.044  -4.200  -6.460
   11    HA   SER   2           HA       SER   2  -1.742  -6.338  -6.570
   12    HB2  SER   2           HB2      SER   2   0.617  -6.027  -4.700
   13    HB3  SER   2           HB3      SER   2  -0.111  -7.539  -5.234
   14    HG   SER   2           HG       SER   2   1.059  -7.438  -6.961
   15    H    ILE   3           H        ILE   3  -1.105  -4.007  -4.020
   16    HA   ILE   3           HA       ILE   3  -1.992  -3.645  -1.963
   17    HB   ILE   3           HB       ILE   3  -4.427  -5.099  -2.983
   18   HG12  ILE   3          HG12      ILE   3  -3.789  -2.150  -3.179
   19   HG13  ILE   3          HG13      ILE   3  -3.712  -3.278  -4.529
   20   HG21  ILE   3          HG21      ILE   3  -4.377  -4.681  -0.569
   21   HG22  ILE   3          HG22      ILE   3  -5.641  -3.749  -1.374
   22   HG23  ILE   3          HG23      ILE   3  -4.141  -2.960  -0.882
   23   HD11  ILE   3          HD11      ILE   3  -6.184  -2.611  -2.947
   24   HD12  ILE   3          HD12      ILE   3  -6.099  -3.695  -4.333
   25   HD13  ILE   3          HD13      ILE   3  -5.777  -1.972  -4.538
   26    H    HCS   4           H        HCS   4  -0.470  -5.037  -1.043
   27    HA   HCS   4           HA       HCS   4  -0.926  -7.813  -0.650
   28    HB2  HCS   4           HB1      HCS   4   0.919  -5.987   0.898
   29    HB3  HCS   4           HB2      HCS   4   1.037  -7.735   0.782
   30    HG2  HCS   4           HG1      HCS   4   1.484  -7.523  -1.620
   31    HG3  HCS   4           HG2      HCS   4   1.391  -5.778  -1.473
   32    H    HIS   5           H        HIS   5  -1.218  -4.979   1.404
   33    HA   HIS   5           HA       HIS   5  -3.401  -5.800   2.900
   34    HB2  HIS   5           HB2      HIS   5  -2.294  -6.259   5.101
   35    HB3  HIS   5           HB3      HIS   5  -2.067  -7.527   3.908
   36    HD1  HIS   5           HD1      HIS   5  -0.210  -4.914   5.841
   37    HD2  HIS   5           HD2      HIS   5   0.586  -7.906   3.071
   38    HE1  HIS   5           HE1      HIS   5   2.286  -5.213   5.863
   39    HE2  HIS   5           HE2      HIS   5   2.716  -7.153   4.320
   40    H    VAL   6           H        VAL   6  -2.792  -3.543   1.694
   41    HA   VAL   6           HA       VAL   6  -1.504  -1.765   3.627
   42    HB   VAL   6           HB       VAL   6  -2.033  -0.450   1.149
   43   HG11  VAL   6          HG11      VAL   6   0.402  -0.144   1.201
   44   HG12  VAL   6          HG12      VAL   6   0.511  -1.300   2.532
   45   HG13  VAL   6          HG13      VAL   6  -0.353   0.226   2.751
   46   HG21  VAL   6          HG21      VAL   6  -2.054  -2.634   0.116
   47   HG22  VAL   6          HG22      VAL   6  -0.546  -3.063   0.929
   48   HG23  VAL   6          HG23      VAL   6  -0.558  -1.792  -0.300
   49    H    HIS   7           H        HIS   7  -2.350   0.530   3.580
   50    HA   HIS   7           HA       HIS   7  -5.104   0.554   4.290
   51    HB2  HIS   7           HB2      HIS   7  -3.588   1.998   5.461
   52    HB3  HIS   7           HB3      HIS   7  -3.064   2.748   3.964
   53    HD1  HIS   7           HD1      HIS   7  -6.104   2.611   6.225
   54    HD2  HIS   7           HD2      HIS   7  -4.450   4.944   3.207
   55    HE1  HIS   7           HE1      HIS   7  -7.500   4.699   6.149
   56    HE2  HIS   7           HE2      HIS   7  -6.579   6.029   4.220
   57    H    ARG   8           H        ARG   8  -3.431   2.503   1.763
   58    HA   ARG   8           HA       ARG   8  -5.934   3.113   0.502
   59    HB2  ARG   8           HB2      ARG   8  -3.176   3.524  -0.661
   60    HB3  ARG   8           HB3      ARG   8  -4.649   4.362  -1.101
   61    HG2  ARG   8           HG2      ARG   8  -4.658   5.300   1.249
   62    HG3  ARG   8           HG3      ARG   8  -3.021   4.649   1.387
   63    HD2  ARG   8           HD2      ARG   8  -2.287   5.954  -0.491
   64    HD3  ARG   8           HD3      ARG   8  -3.928   6.536  -0.761
   65    HE   ARG   8           HE       ARG   8  -3.455   7.367   1.742
   66   HH11  ARG   8          HH11      ARG   8  -1.560   7.629  -1.190
   67   HH12  ARG   8          HH12      ARG   8  -0.778   9.103  -0.711
   68   HH21  ARG   8          HH21      ARG   8  -2.452   9.332   2.360
   69   HH22  ARG   8          HH22      ARG   8  -1.306  10.080   1.294
   70    HA   PRO   9           HA       PRO   9  -5.729  -0.213  -2.467
   71    HB2  PRO   9           HB2      PRO   9  -7.702   0.554  -4.097
   72    HB3  PRO   9           HB3      PRO   9  -8.033   0.068  -2.427
   73    HG2  PRO   9           HG2      PRO   9  -7.968   2.781  -3.636
   74    HG3  PRO   9           HG3      PRO   9  -8.967   2.166  -2.309
   75    HD2  PRO   9           HD2      PRO   9  -6.584   3.686  -2.097
   76    HD3  PRO   9           HD3      PRO   9  -7.452   2.888  -0.776
   77    H    ASP  10           H        ASP  10  -4.774   2.931  -3.047
   78    HA   ASP  10           HA       ASP  10  -4.264   2.548  -5.905
   79    HB2  ASP  10           HB2      ASP  10  -4.189   5.027  -4.176
   80    HB3  ASP  10           HB3      ASP  10  -3.789   5.001  -5.888
   81    H    TRP  11           H        TRP  11  -2.686   2.586  -2.865
   82    HA   TRP  11           HA       TRP  11  -0.110   3.096  -4.164
   83    HB2  TRP  11           HB2      TRP  11   0.757   3.848  -2.075
   84    HB3  TRP  11           HB3      TRP  11  -0.828   4.568  -2.246
   85    HD1  TRP  11           HD1      TRP  11  -1.702   1.281  -1.106
   86    HE1  TRP  11           HE1      TRP  11  -1.946   1.210   1.441
   87    HE3  TRP  11           HE3      TRP  11   0.659   5.657   0.067
   88    HZ2  TRP  11           HZ2      TRP  11  -1.246   2.808   3.674
   89    HZ3  TRP  11           HZ3      TRP  11   0.822   6.314   2.428
   90    HH2  TRP  11           HH2      TRP  11  -0.108   4.911   4.186
   91    HA   PRO  12           HA       PRO  12   1.161  -1.068  -3.522
   92    HB2  PRO  12           HB2      PRO  12   3.790  -0.892  -3.110
   93    HB3  PRO  12           HB3      PRO  12   3.075  -0.369  -4.640
   94    HG2  PRO  12           HG2      PRO  12   3.896   1.282  -2.279
   95    HG3  PRO  12           HG3      PRO  12   4.213   1.564  -3.990
   96    HD2  PRO  12           HD2      PRO  12   2.203   2.786  -2.628
   97    HD3  PRO  12           HD3      PRO  12   2.129   2.445  -4.368
   98    H    CYS  13           H        CYS  13   2.935  -2.339  -1.973
   99    HA   CYS  13           HA       CYS  13   1.935  -1.883   0.738
  100    HB2  CYS  13           HB2      CYS  13   2.698  -4.160   1.202
  101    HB3  CYS  13           HB3      CYS  13   1.635  -4.118  -0.202
  102    H    TRP  14           H        TRP  14   4.193  -0.432  -0.696
  103    HA   TRP  14           HA       TRP  14   6.148  -0.695   1.456
  104    HB2  TRP  14           HB2      TRP  14   7.983  -0.458  -0.317
  105    HB3  TRP  14           HB3      TRP  14   7.210  -2.028  -0.148
  106    HD1  TRP  14           HD1      TRP  14   5.612  -2.829  -2.134
  107    HE1  TRP  14           HE1      TRP  14   5.488  -2.152  -4.609
  108    HE3  TRP  14           HE3      TRP  14   8.219   1.544  -1.896
  109    HZ2  TRP  14           HZ2      TRP  14   6.349  -0.020  -6.244
  110    HZ3  TRP  14           HZ3      TRP  14   8.509   2.858  -3.948
  111    HH2  TRP  14           HH2      TRP  14   7.595   2.089  -6.081
  112    H    TYR  15           H        TYR  15   5.397   1.122  -1.485
  113    HA   TYR  15           HA       TYR  15   5.776   3.279  -2.066
  114    HB2  TYR  15           HB2      TYR  15   4.390   4.854  -0.569
  115    HB3  TYR  15           HB3      TYR  15   3.570   3.538  -1.394
  116    HD1  TYR  15           HD1      TYR  15   4.469   4.920   1.855
  117    HD2  TYR  15           HD2      TYR  15   2.891   1.539  -0.175
  118    HE1  TYR  15           HE1      TYR  15   3.609   4.051   3.985
  119    HE2  TYR  15           HE2      TYR  15   2.031   0.668   1.926
  120    HH   TYR  15           HH       TYR  15   2.429   0.862   4.312
  121    H    ARG  16           H        ARG  16   7.963   3.562  -1.897
  122    HA   ARG  16           HA       ARG  16   8.926   4.715   0.638
  123    HB2  ARG  16           HB2      ARG  16  10.403   3.045  -1.402
  124    HB3  ARG  16           HB3      ARG  16  11.152   3.813  -0.005
  125    HG2  ARG  16           HG2      ARG  16  10.145   2.388   1.494
  126    HG3  ARG  16           HG3      ARG  16   8.829   1.976   0.386
  127    HD2  ARG  16           HD2      ARG  16  10.353   0.703  -0.994
  128    HD3  ARG  16           HD3      ARG  16  11.717   1.182   0.013
  129    HE   ARG  16           HE       ARG  16  10.164  -0.037   1.801
  130   HH11  ARG  16          HH11      ARG  16  11.068  -0.994  -1.446
  131   HH12  ARG  16          HH12      ARG  16  11.024  -2.691  -1.091
  132   HH21  ARG  16          HH21      ARG  16  10.090  -2.262   2.266
  133   HH22  ARG  16          HH22      ARG  16  10.458  -3.415   1.020
  Start of MODEL   15
    1    H2   PRO   1           HT1      PRO   1  -1.878  -2.527  -8.438
    2    H3   PRO   1           HT2      PRO   1  -0.707  -1.870  -9.367
    3    HA   PRO   1           HA       PRO   1   0.625  -1.590  -7.762
    4    HB2  PRO   1           HB2      PRO   1  -0.782  -0.854  -5.455
    5    HB3  PRO   1           HB3      PRO   1   0.083   0.234  -6.551
    6    HG2  PRO   1           HG2      PRO   1  -2.811  -0.464  -6.471
    7    HG3  PRO   1           HG3      PRO   1  -2.036   1.075  -6.891
    8    HD2  PRO   1           HD2      PRO   1  -3.050  -0.490  -8.796
    9    HD3  PRO   1           HD3      PRO   1  -1.522   0.369  -9.053
   10    H    SER   2           H        SER   2   1.232  -2.671  -5.695
   11    HA   SER   2           HA       SER   2  -0.021  -5.272  -5.602
   12    HB2  SER   2           HB2      SER   2   1.900  -5.700  -3.940
   13    HB3  SER   2           HB3      SER   2   2.334  -5.382  -5.621
   14    HG   SER   2           HG       SER   2   3.624  -4.171  -4.196
   15    H    ILE   3           H        ILE   3  -1.980  -5.004  -4.583
   16    HA   ILE   3           HA       ILE   3  -2.084  -3.755  -1.960
   17    HB   ILE   3           HB       ILE   3  -4.320  -5.258  -3.304
   18   HG12  ILE   3          HG12      ILE   3  -3.660  -2.313  -3.542
   19   HG13  ILE   3          HG13      ILE   3  -3.455  -3.504  -4.823
   20   HG21  ILE   3          HG21      ILE   3  -5.743  -3.812  -1.920
   21   HG22  ILE   3          HG22      ILE   3  -4.303  -3.070  -1.230
   22   HG23  ILE   3          HG23      ILE   3  -4.641  -4.774  -0.938
   23   HD11  ILE   3          HD11      ILE   3  -6.070  -2.694  -3.572
   24   HD12  ILE   3          HD12      ILE   3  -5.865  -3.890  -4.851
   25   HD13  ILE   3          HD13      ILE   3  -5.472  -2.197  -5.155
   26    H    HCS   4           H        HCS   4  -0.635  -5.156  -0.950
   27    HA   HCS   4           HA       HCS   4  -1.222  -7.971  -0.676
   28    HB2  HCS   4           HB1      HCS   4   0.752  -6.330   0.915
   29    HB3  HCS   4           HB2      HCS   4   0.782  -8.062   0.648
   30    HG2  HCS   4           HG1      HCS   4   1.278  -7.724  -1.687
   31    HG3  HCS   4           HG2      HCS   4   1.159  -5.981  -1.485
   32    H    HIS   5           H        HIS   5  -1.330  -5.086   1.287
   33    HA   HIS   5           HA       HIS   5  -3.487  -5.625   2.863
   34    HB2  HIS   5           HB2      HIS   5  -2.578  -6.355   5.023
   35    HB3  HIS   5           HB3      HIS   5  -2.274  -7.556   3.785
   36    HD1  HIS   5           HD1      HIS   5  -0.600  -5.604   6.365
   37    HD2  HIS   5           HD2      HIS   5   0.484  -7.609   2.897
   38    HE1  HIS   5           HE1      HIS   5   1.896  -5.874   6.500
   39    HE2  HIS   5           HE2      HIS   5   2.548  -6.977   4.330
   40    H    VAL   6           H        VAL   6  -3.493  -3.448   2.184
   41    HA   VAL   6           HA       VAL   6  -1.694  -1.724   3.731
   42    HB   VAL   6           HB       VAL   6  -2.334  -0.430   1.276
   43   HG11  VAL   6          HG11      VAL   6   0.245  -1.406   2.499
   44   HG12  VAL   6          HG12      VAL   6  -0.505   0.176   2.742
   45   HG13  VAL   6          HG13      VAL   6   0.126  -0.273   1.155
   46   HG21  VAL   6          HG21      VAL   6  -2.536  -2.663   0.319
   47   HG22  VAL   6          HG22      VAL   6  -0.956  -3.088   0.974
   48   HG23  VAL   6          HG23      VAL   6  -1.087  -1.848  -0.274
   49    H    HIS   7           H        HIS   7  -2.444   0.612   3.705
   50    HA   HIS   7           HA       HIS   7  -5.162   0.772   4.541
   51    HB2  HIS   7           HB2      HIS   7  -3.542   2.156   5.638
   52    HB3  HIS   7           HB3      HIS   7  -3.026   2.864   4.115
   53    HD1  HIS   7           HD1      HIS   7  -5.991   2.888   6.471
   54    HD2  HIS   7           HD2      HIS   7  -4.337   5.118   3.385
   55    HE1  HIS   7           HE1      HIS   7  -7.329   5.013   6.388
   56    HE2  HIS   7           HE2      HIS   7  -6.162   6.437   4.667
   57    H    ARG   8           H        ARG   8  -3.480   2.539   1.906
   58    HA   ARG   8           HA       ARG   8  -5.991   3.235   0.711
   59    HB2  ARG   8           HB2      ARG   8  -3.273   3.510  -0.555
   60    HB3  ARG   8           HB3      ARG   8  -4.717   4.418  -0.930
   61    HG2  ARG   8           HG2      ARG   8  -4.558   5.203   1.524
   62    HG3  ARG   8           HG3      ARG   8  -2.882   4.672   1.388
   63    HD2  ARG   8           HD2      ARG   8  -4.278   6.693  -0.337
   64    HD3  ARG   8           HD3      ARG   8  -3.067   7.025   0.888
   65    HE   ARG   8           HE       ARG   8  -1.721   5.403  -0.758
   66   HH11  ARG   8          HH11      ARG   8  -3.733   8.189  -1.391
   67   HH12  ARG   8          HH12      ARG   8  -2.822   8.699  -2.778
   68   HH21  ARG   8          HH21      ARG   8  -0.488   6.093  -2.590
   69   HH22  ARG   8          HH22      ARG   8  -0.976   7.522  -3.441
   70    HA   PRO   9           HA       PRO   9  -6.020  -0.148  -2.215
   71    HB2  PRO   9           HB2      PRO   9  -8.131   0.637  -3.663
   72    HB3  PRO   9           HB3      PRO   9  -8.316   0.116  -1.986
   73    HG2  PRO   9           HG2      PRO   9  -8.446   2.832  -3.142
   74    HG3  PRO   9           HG3      PRO   9  -9.210   2.192  -1.679
   75    HD2  PRO   9           HD2      PRO   9  -6.805   3.734  -1.875
   76    HD3  PRO   9           HD3      PRO   9  -7.533   3.046  -0.415
   77    H    ASP  10           H        ASP  10  -4.865   2.821  -2.758
   78    HA   ASP  10           HA       ASP  10  -4.696   2.603  -5.683
   79    HB2  ASP  10           HB2      ASP  10  -5.751   4.658  -4.792
   80    HB3  ASP  10           HB3      ASP  10  -4.272   5.019  -3.911
   81    H    TRP  11           H        TRP  11  -2.906   2.445  -2.788
   82    HA   TRP  11           HA       TRP  11  -0.405   2.856  -4.255
   83    HB2  TRP  11           HB2      TRP  11   0.613   3.596  -2.223
   84    HB3  TRP  11           HB3      TRP  11  -0.937   4.404  -2.351
   85    HD1  TRP  11           HD1      TRP  11  -1.827   1.135  -1.091
   86    HE1  TRP  11           HE1      TRP  11  -2.013   1.150   1.453
   87    HE3  TRP  11           HE3      TRP  11   0.550   5.554  -0.122
   88    HZ2  TRP  11           HZ2      TRP  11  -1.252   2.800   3.613
   89    HZ3  TRP  11           HZ3      TRP  11   0.771   6.280   2.215
   90    HH2  TRP  11           HH2      TRP  11  -0.104   4.920   4.041
   91    HA   PRO  12           HA       PRO  12   0.763  -1.353  -3.499
   92    HB2  PRO  12           HB2      PRO  12   3.410  -1.254  -3.191
   93    HB3  PRO  12           HB3      PRO  12   2.660  -0.773  -4.717
   94    HG2  PRO  12           HG2      PRO  12   3.618   0.946  -2.460
   95    HG3  PRO  12           HG3      PRO  12   3.891   1.149  -4.188
   96    HD2  PRO  12           HD2      PRO  12   1.978   2.500  -2.816
   97    HD3  PRO  12           HD3      PRO  12   1.826   2.088  -4.532
   98    H    CYS  13           H        CYS  13   2.541  -2.617  -1.983
   99    HA   CYS  13           HA       CYS  13   1.616  -2.103   0.733
  100    HB2  CYS  13           HB2      CYS  13   2.459  -4.338   1.237
  101    HB3  CYS  13           HB3      CYS  13   1.376  -4.367  -0.153
  102    H    TRP  14           H        TRP  14   3.918  -0.724  -0.832
  103    HA   TRP  14           HA       TRP  14   5.884  -0.914   1.325
  104    HB2  TRP  14           HB2      TRP  14   7.715  -0.855  -0.458
  105    HB3  TRP  14           HB3      TRP  14   6.863  -2.378  -0.245
  106    HD1  TRP  14           HD1      TRP  14   5.244  -3.158  -2.190
  107    HE1  TRP  14           HE1      TRP  14   5.104  -2.534  -4.679
  108    HE3  TRP  14           HE3      TRP  14   8.043   1.101  -2.093
  109    HZ2  TRP  14           HZ2      TRP  14   6.044  -0.480  -6.373
  110    HZ3  TRP  14           HZ3      TRP  14   8.362   2.350  -4.178
  111    HH2  TRP  14           HH2      TRP  14   7.386   1.571  -6.281
  112    H    TYR  15           H        TYR  15   5.067   0.766  -1.678
  113    HA   TYR  15           HA       TYR  15   5.491   2.875  -2.398
  114    HB2  TYR  15           HB2      TYR  15   4.279   4.583  -0.881
  115    HB3  TYR  15           HB3      TYR  15   3.356   3.300  -1.642
  116    HD1  TYR  15           HD1      TYR  15   4.368   4.754   1.533
  117    HD2  TYR  15           HD2      TYR  15   2.667   1.330  -0.325
  118    HE1  TYR  15           HE1      TYR  15   3.508   4.004   3.711
  119    HE2  TYR  15           HE2      TYR  15   1.811   0.577   1.830
  120    HH   TYR  15           HH       TYR  15   2.207   0.862   4.191
  121    H    ARG  16           H        ARG  16   7.643   3.140  -2.449
  122    HA   ARG  16           HA       ARG  16   8.862   4.595  -0.200
  123    HB2  ARG  16           HB2      ARG  16  10.039   2.296  -1.771
  124    HB3  ARG  16           HB3      ARG  16  10.963   3.310  -0.672
  125    HG2  ARG  16           HG2      ARG  16   9.784   2.518   1.213
  126    HG3  ARG  16           HG3      ARG  16   8.533   1.776   0.208
  127    HD2  ARG  16           HD2      ARG  16  10.166   0.146   1.161
  128    HD3  ARG  16           HD3      ARG  16  10.061   0.125  -0.600
  129    HE   ARG  16           HE       ARG  16  12.112   1.865   0.039
  130   HH11  ARG  16          HH11      ARG  16  11.431  -1.536   0.574
  131   HH12  ARG  16          HH12      ARG  16  13.101  -1.995   0.520
  132   HH21  ARG  16          HH21      ARG  16  14.284   1.256  -0.055
  133   HH22  ARG  16          HH22      ARG  16  14.728  -0.411   0.143
  Start of MODEL   16
    1    H2   PRO   1           HT1      PRO   1  -2.656  -1.373  -8.223
    2    H3   PRO   1           HT2      PRO   1  -1.517  -0.883  -9.279
    3    HA   PRO   1           HA       PRO   1  -0.200  -2.288  -8.476
    4    HB2  PRO   1           HB2      PRO   1  -0.060  -1.405  -5.705
    5    HB3  PRO   1           HB3      PRO   1   1.180  -1.333  -6.967
    6    HG2  PRO   1           HG2      PRO   1  -0.095   0.869  -6.042
    7    HG3  PRO   1           HG3      PRO   1   0.498   0.725  -7.707
    8    HD2  PRO   1           HD2      PRO   1  -2.292   0.355  -6.650
    9    HD3  PRO   1           HD3      PRO   1  -1.750   1.209  -8.105
   10    H    SER   2           H        SER   2   0.216  -3.843  -6.460
   11    HA   SER   2           HA       SER   2  -2.308  -5.225  -6.068
   12    HB2  SER   2           HB2      SER   2   0.527  -6.039  -5.405
   13    HB3  SER   2           HB3      SER   2  -0.892  -7.070  -5.224
   14    HG   SER   2           HG       SER   2  -0.355  -7.614  -7.196
   15    H    ILE   3           H        ILE   3  -3.365  -5.381  -4.199
   16    HA   ILE   3           HA       ILE   3  -2.365  -3.885  -1.917
   17    HB   ILE   3           HB       ILE   3  -4.998  -5.330  -2.180
   18   HG12  ILE   3          HG12      ILE   3  -4.430  -2.396  -2.671
   19   HG13  ILE   3          HG13      ILE   3  -4.658  -3.588  -3.949
   20   HG21  ILE   3          HG21      ILE   3  -5.711  -3.836  -0.379
   21   HG22  ILE   3          HG22      ILE   3  -4.088  -3.142  -0.319
   22   HG23  ILE   3          HG23      ILE   3  -4.340  -4.837   0.103
   23   HD11  ILE   3          HD11      ILE   3  -6.934  -3.993  -3.167
   24   HD12  ILE   3          HD12      ILE   3  -6.679  -2.296  -3.577
   25   HD13  ILE   3          HD13      ILE   3  -6.709  -2.801  -1.886
   26    H    HCS   4           H        HCS   4  -0.881  -5.051  -0.816
   27    HA   HCS   4           HA       HCS   4  -1.199  -7.865  -0.329
   28    HB2  HCS   4           HB1      HCS   4   0.703  -5.934   1.012
   29    HB3  HCS   4           HB2      HCS   4   0.813  -7.687   1.028
   30    HG2  HCS   4           HG1      HCS   4   1.129  -7.637  -1.429
   31    HG3  HCS   4           HG2      HCS   4   1.136  -5.882  -1.354
   32    H    HIS   5           H        HIS   5  -1.191  -4.979   1.706
   33    HA   HIS   5           HA       HIS   5  -3.543  -5.532   3.068
   34    HB2  HIS   5           HB2      HIS   5  -2.718  -6.126   5.317
   35    HB3  HIS   5           HB3      HIS   5  -2.358  -7.371   4.134
   36    HD1  HIS   5           HD1      HIS   5  -0.764  -5.180   6.619
   37    HD2  HIS   5           HD2      HIS   5   0.410  -7.524   3.400
   38    HE1  HIS   5           HE1      HIS   5   1.706  -5.526   6.904
   39    HE2  HIS   5           HE2      HIS   5   2.346  -7.117   5.060
   40    H    VAL   6           H        VAL   6  -2.619  -3.410   1.822
   41    HA   VAL   6           HA       VAL   6  -1.247  -1.640   3.686
   42    HB   VAL   6           HB       VAL   6  -1.864  -0.398   1.163
   43   HG11  VAL   6          HG11      VAL   6   0.575  -0.099   1.130
   44   HG12  VAL   6          HG12      VAL   6   0.699  -1.141   2.549
   45   HG13  VAL   6          HG13      VAL   6  -0.162   0.397   2.652
   46   HG21  VAL   6          HG21      VAL   6  -1.872  -2.636   0.232
   47   HG22  VAL   6          HG22      VAL   6  -0.332  -2.987   1.014
   48   HG23  VAL   6          HG23      VAL   6  -0.414  -1.774  -0.266
   49    H    HIS   7           H        HIS   7  -1.968   0.684   3.678
   50    HA   HIS   7           HA       HIS   7  -4.635   0.939   4.515
   51    HB2  HIS   7           HB2      HIS   7  -3.000   2.442   5.389
   52    HB3  HIS   7           HB3      HIS   7  -2.526   2.965   3.786
   53    HD1  HIS   7           HD1      HIS   7  -5.281   3.423   6.321
   54    HD2  HIS   7           HD2      HIS   7  -3.970   5.046   2.722
   55    HE1  HIS   7           HE1      HIS   7  -6.588   5.552   6.018
   56    HE2  HIS   7           HE2      HIS   7  -5.873   6.441   3.777
   57    H    ARG   8           H        ARG   8  -3.102   2.395   1.619
   58    HA   ARG   8           HA       ARG   8  -5.685   2.962   0.477
   59    HB2  ARG   8           HB2      ARG   8  -2.949   3.188  -0.777
   60    HB3  ARG   8           HB3      ARG   8  -4.437   3.852  -1.415
   61    HG2  ARG   8           HG2      ARG   8  -4.559   5.276   0.662
   62    HG3  ARG   8           HG3      ARG   8  -2.905   4.730   0.999
   63    HD2  ARG   8           HD2      ARG   8  -2.054   5.709  -0.916
   64    HD3  ARG   8           HD3      ARG   8  -3.637   5.840  -1.661
   65    HE   ARG   8           HE       ARG   8  -3.031   7.461   0.701
   66   HH11  ARG   8          HH11      ARG   8  -3.704   7.215  -2.737
   67   HH12  ARG   8          HH12      ARG   8  -3.973   8.924  -2.926
   68   HH21  ARG   8          HH21      ARG   8  -3.420   9.704   0.453
   69   HH22  ARG   8          HH22      ARG   8  -3.823  10.338  -1.112
   70    HA   PRO   9           HA       PRO   9  -5.541  -0.542  -2.362
   71    HB2  PRO   9           HB2      PRO   9  -7.569   0.156  -3.962
   72    HB3  PRO   9           HB3      PRO   9  -7.851  -0.311  -2.282
   73    HG2  PRO   9           HG2      PRO   9  -7.923   2.382  -3.534
   74    HG3  PRO   9           HG3      PRO   9  -8.816   1.763  -2.134
   75    HD2  PRO   9           HD2      PRO   9  -6.444   3.344  -2.121
   76    HD3  PRO   9           HD3      PRO   9  -7.263   2.618  -0.728
   77    H    ASP  10           H        ASP  10  -4.829   2.680  -3.106
   78    HA   ASP  10           HA       ASP  10  -4.317   2.168  -5.940
   79    HB2  ASP  10           HB2      ASP  10  -4.099   4.626  -6.100
   80    HB3  ASP  10           HB3      ASP  10  -5.658   4.122  -5.463
   81    H    TRP  11           H        TRP  11  -2.619   2.249  -3.024
   82    HA   TRP  11           HA       TRP  11  -0.140   2.813  -4.489
   83    HB2  TRP  11           HB2      TRP  11   0.845   3.709  -2.517
   84    HB3  TRP  11           HB3      TRP  11  -0.749   4.410  -2.641
   85    HD1  TRP  11           HD1      TRP  11  -1.501   1.197  -1.234
   86    HE1  TRP  11           HE1      TRP  11  -1.579   1.293   1.319
   87    HE3  TRP  11           HE3      TRP  11   0.846   5.665  -0.535
   88    HZ2  TRP  11           HZ2      TRP  11  -0.748   3.044   3.382
   89    HZ3  TRP  11           HZ3      TRP  11   1.172   6.489   1.766
   90    HH2  TRP  11           HH2      TRP  11   0.385   5.194   3.680
   91    HA   PRO  12           HA       PRO  12   1.215  -1.292  -3.701
   92    HB2  PRO  12           HB2      PRO  12   3.857  -1.063  -3.266
   93    HB3  PRO  12           HB3      PRO  12   3.147  -0.695  -4.842
   94    HG2  PRO  12           HG2      PRO  12   3.957   1.167  -2.646
   95    HG3  PRO  12           HG3      PRO  12   4.243   1.312  -4.372
   96    HD2  PRO  12           HD2      PRO  12   2.244   2.628  -3.106
   97    HD3  PRO  12           HD3      PRO  12   2.128   2.111  -4.794
   98    H    CYS  13           H        CYS  13   2.828  -2.581  -2.128
   99    HA   CYS  13           HA       CYS  13   1.905  -1.940   0.560
  100    HB2  CYS  13           HB2      CYS  13   2.667  -4.202   1.151
  101    HB3  CYS  13           HB3      CYS  13   1.540  -4.216  -0.199
  102    H    TRP  14           H        TRP  14   4.209  -0.664  -1.005
  103    HA   TRP  14           HA       TRP  14   6.078  -0.699   1.238
  104    HB2  TRP  14           HB2      TRP  14   7.986  -0.634  -0.461
  105    HB3  TRP  14           HB3      TRP  14   7.189  -2.181  -0.214
  106    HD1  TRP  14           HD1      TRP  14   5.652  -3.091  -2.187
  107    HE1  TRP  14           HE1      TRP  14   5.613  -2.580  -4.713
  108    HE3  TRP  14           HE3      TRP  14   8.360   1.243  -2.186
  109    HZ2  TRP  14           HZ2      TRP  14   6.579  -0.595  -6.455
  110    HZ3  TRP  14           HZ3      TRP  14   8.739   2.392  -4.324
  111    HH2  TRP  14           HH2      TRP  14   7.863   1.488  -6.410
  112    H    TYR  15           H        TYR  15   5.416   0.811  -1.901
  113    HA   TYR  15           HA       TYR  15   5.636   2.867  -2.739
  114    HB2  TYR  15           HB2      TYR  15   4.592   4.716  -1.237
  115    HB3  TYR  15           HB3      TYR  15   3.598   3.430  -1.890
  116    HD1  TYR  15           HD1      TYR  15   2.889   1.585  -0.479
  117    HD2  TYR  15           HD2      TYR  15   4.833   4.992   1.153
  118    HE1  TYR  15           HE1      TYR  15   2.083   0.973   1.737
  119    HE2  TYR  15           HE2      TYR  15   4.027   4.387   3.395
  120    HH   TYR  15           HH       TYR  15   2.643   1.353   4.093
  121    H    ARG  16           H        ARG  16   6.471   3.715   0.640
  122    HA   ARG  16           HA       ARG  16   8.336   4.662   1.519
  123    HB2  ARG  16           HB2      ARG  16   9.602   3.305  -0.865
  124    HB3  ARG  16           HB3      ARG  16  10.510   4.029   0.453
  125    HG2  ARG  16           HG2      ARG  16   9.783   2.417   1.994
  126    HG3  ARG  16           HG3      ARG  16   8.474   1.878   0.942
  127    HD2  ARG  16           HD2      ARG  16  10.394   0.308   1.052
  128    HD3  ARG  16           HD3      ARG  16  10.032   0.869  -0.582
  129    HE   ARG  16           HE       ARG  16  11.971   2.569   0.493
  130   HH11  ARG  16          HH11      ARG  16  11.677  -0.803  -0.384
  131   HH12  ARG  16          HH12      ARG  16  13.355  -0.973  -0.785
  132   HH21  ARG  16          HH21      ARG  16  14.171   2.356  -0.046
  133   HH22  ARG  16          HH22      ARG  16  14.771   0.826  -0.609
  Start of MODEL   17
    1    H2   PRO   1           HT1      PRO   1  -2.248  -1.280  -7.093
    2    H3   PRO   1           HT2      PRO   1  -1.807  -1.228  -8.660
    3    HA   PRO   1           HA       PRO   1   0.112  -2.088  -8.345
    4    HB2  PRO   1           HB2      PRO   1   0.981  -1.350  -5.741
    5    HB3  PRO   1           HB3      PRO   1   1.598  -0.758  -7.290
    6    HG2  PRO   1           HG2      PRO   1  -0.415   0.434  -5.479
    7    HG3  PRO   1           HG3      PRO   1   0.698   1.233  -6.600
    8    HD2  PRO   1           HD2      PRO   1  -1.909   1.072  -7.148
    9    HD3  PRO   1           HD3      PRO   1  -0.703   0.896  -8.435
   10    H    SER   2           H        SER   2   1.226  -3.360  -6.207
   11    HA   SER   2           HA       SER   2  -0.631  -5.452  -5.725
   12    HB2  SER   2           HB2      SER   2   1.800  -5.845  -5.924
   13    HB3  SER   2           HB3      SER   2   2.058  -4.953  -4.431
   14    HG   SER   2           HG       SER   2   0.403  -7.249  -4.605
   15    H    ILE   3           H        ILE   3  -2.358  -4.947  -4.507
   16    HA   ILE   3           HA       ILE   3  -2.036  -3.616  -1.956
   17    HB   ILE   3           HB       ILE   3  -4.509  -4.971  -3.024
   18   HG12  ILE   3          HG12      ILE   3  -3.741  -2.049  -3.208
   19   HG13  ILE   3          HG13      ILE   3  -3.680  -3.180  -4.556
   20   HG21  ILE   3          HG21      ILE   3  -4.560  -4.589  -0.638
   21   HG22  ILE   3          HG22      ILE   3  -5.667  -3.478  -1.447
   22   HG23  ILE   3          HG23      ILE   3  -4.101  -2.905  -0.874
   23   HD11  ILE   3          HD11      ILE   3  -5.675  -1.788  -4.633
   24   HD12  ILE   3          HD12      ILE   3  -6.159  -2.379  -3.046
   25   HD13  ILE   3          HD13      ILE   3  -6.095  -3.488  -4.414
   26    H    HCS   4           H        HCS   4  -0.663  -5.028  -0.910
   27    HA   HCS   4           HA       HCS   4  -1.170  -7.806  -0.637
   28    HB2  HCS   4           HB1      HCS   4   0.544  -6.009   1.084
   29    HB3  HCS   4           HB2      HCS   4   0.636  -7.763   1.015
   30    HG2  HCS   4           HG1      HCS   4   1.251  -7.588  -1.372
   31    HG3  HCS   4           HG2      HCS   4   1.246  -5.842  -1.215
   32    H    HIS   5           H        HIS   5  -1.548  -5.056   1.531
   33    HA   HIS   5           HA       HIS   5  -4.063  -5.719   2.489
   34    HB2  HIS   5           HB2      HIS   5  -3.619  -6.476   4.781
   35    HB3  HIS   5           HB3      HIS   5  -2.988  -7.622   3.609
   36    HD1  HIS   5           HD1      HIS   5  -2.012  -5.568   6.488
   37    HD2  HIS   5           HD2      HIS   5  -0.123  -7.597   3.394
   38    HE1  HIS   5           HE1      HIS   5   0.386  -5.796   7.196
   39    HE2  HIS   5           HE2      HIS   5   1.534  -6.971   5.286
   40    H    VAL   6           H        VAL   6  -2.825  -3.542   1.543
   41    HA   VAL   6           HA       VAL   6  -1.707  -1.948   3.688
   42    HB   VAL   6           HB       VAL   6  -2.038  -0.573   1.146
   43   HG11  VAL   6          HG11      VAL   6   0.398  -0.252   1.425
   44   HG12  VAL   6          HG12      VAL   6   0.339  -1.291   2.850
   45   HG13  VAL   6          HG13      VAL   6  -0.543   0.238   2.834
   46   HG21  VAL   6          HG21      VAL   6  -0.469  -3.146   1.158
   47   HG22  VAL   6          HG22      VAL   6  -0.387  -1.910  -0.100
   48   HG23  VAL   6          HG23      VAL   6  -1.892  -2.784   0.181
   49    H    HIS   7           H        HIS   7  -2.356   0.390   3.747
   50    HA   HIS   7           HA       HIS   7  -5.049   0.642   4.476
   51    HB2  HIS   7           HB2      HIS   7  -3.348   2.044   5.463
   52    HB3  HIS   7           HB3      HIS   7  -2.943   2.726   3.896
   53    HD1  HIS   7           HD1      HIS   7  -5.782   2.722   6.403
   54    HD2  HIS   7           HD2      HIS   7  -4.307   4.964   3.227
   55    HE1  HIS   7           HE1      HIS   7  -7.201   4.801   6.328
   56    HE2  HIS   7           HE2      HIS   7  -6.136   6.234   4.548
   57    H    ARG   8           H        ARG   8  -3.420   2.386   1.802
   58    HA   ARG   8           HA       ARG   8  -5.945   3.103   0.660
   59    HB2  ARG   8           HB2      ARG   8  -3.220   3.338  -0.613
   60    HB3  ARG   8           HB3      ARG   8  -4.670   4.202  -1.066
   61    HG2  ARG   8           HG2      ARG   8  -4.609   5.266   1.218
   62    HG3  ARG   8           HG3      ARG   8  -2.989   4.569   1.382
   63    HD2  ARG   8           HD2      ARG   8  -2.250   5.732  -0.589
   64    HD3  ARG   8           HD3      ARG   8  -3.877   6.351  -0.858
   65    HE   ARG   8           HE       ARG   8  -3.006   7.136   1.694
   66   HH11  ARG   8          HH11      ARG   8  -2.356   7.793  -1.686
   67   HH12  ARG   8          HH12      ARG   8  -1.787   9.401  -1.401
   68   HH21  ARG   8          HH21      ARG   8  -2.252   9.266   2.071
   69   HH22  ARG   8          HH22      ARG   8  -1.738  10.244   0.734
   70    HA   PRO   9           HA       PRO   9  -6.020  -0.250  -2.317
   71    HB2  PRO   9           HB2      PRO   9  -8.078   0.583  -3.813
   72    HB3  PRO   9           HB3      PRO   9  -8.321   0.066  -2.141
   73    HG2  PRO   9           HG2      PRO   9  -8.313   2.797  -3.293
   74    HG3  PRO   9           HG3      PRO   9  -9.192   2.173  -1.890
   75    HD2  PRO   9           HD2      PRO   9  -6.758   3.652  -1.892
   76    HD3  PRO   9           HD3      PRO   9  -7.557   2.901  -0.502
   77    H    ASP  10           H        ASP  10  -4.811   2.697  -2.748
   78    HA   ASP  10           HA       ASP  10  -4.550   2.606  -5.667
   79    HB2  ASP  10           HB2      ASP  10  -5.509   4.663  -4.918
   80    HB3  ASP  10           HB3      ASP  10  -4.306   4.835  -3.647
   81    H    TRP  11           H        TRP  11  -2.805   2.278  -2.726
   82    HA   TRP  11           HA       TRP  11  -0.283   2.716  -4.151
   83    HB2  TRP  11           HB2      TRP  11   0.694   3.541  -2.144
   84    HB3  TRP  11           HB3      TRP  11  -0.871   4.309  -2.301
   85    HD1  TRP  11           HD1      TRP  11  -1.761   1.086  -0.949
   86    HE1  TRP  11           HE1      TRP  11  -1.914   1.158   1.599
   87    HE3  TRP  11           HE3      TRP  11   0.668   5.496  -0.119
   88    HZ2  TRP  11           HZ2      TRP  11  -1.113   2.854   3.704
   89    HZ3  TRP  11           HZ3      TRP  11   0.938   6.271   2.199
   90    HH2  TRP  11           HH2      TRP  11   0.062   4.970   4.062
   91    HA   PRO  12           HA       PRO  12   0.921  -1.447  -3.309
   92    HB2  PRO  12           HB2      PRO  12   3.574  -1.285  -3.049
   93    HB3  PRO  12           HB3      PRO  12   2.787  -0.872  -4.581
   94    HG2  PRO  12           HG2      PRO  12   3.746   0.940  -2.395
   95    HG3  PRO  12           HG3      PRO  12   3.993   1.087  -4.131
   96    HD2  PRO  12           HD2      PRO  12   2.070   2.450  -2.785
   97    HD3  PRO  12           HD3      PRO  12   1.894   1.967  -4.485
   98    H    CYS  13           H        CYS  13   2.788  -2.615  -1.777
   99    HA   CYS  13           HA       CYS  13   1.922  -1.954   0.929
  100    HB2  CYS  13           HB2      CYS  13   2.700  -4.196   1.531
  101    HB3  CYS  13           HB3      CYS  13   1.563  -4.260   0.189
  102    H    TRP  14           H        TRP  14   4.106  -0.602  -0.689
  103    HA   TRP  14           HA       TRP  14   6.140  -0.683   1.404
  104    HB2  TRP  14           HB2      TRP  14   7.925  -0.598  -0.439
  105    HB3  TRP  14           HB3      TRP  14   7.159  -2.151  -0.131
  106    HD1  TRP  14           HD1      TRP  14   5.505  -3.081  -2.008
  107    HE1  TRP  14           HE1      TRP  14   5.272  -2.557  -4.516
  108    HE3  TRP  14           HE3      TRP  14   8.128   1.289  -2.158
  109    HZ2  TRP  14           HZ2      TRP  14   6.068  -0.537  -6.307
  110    HZ3  TRP  14           HZ3      TRP  14   8.329   2.469  -4.299
  111    HH2  TRP  14           HH2      TRP  14   7.324   1.572  -6.335
  112    H    TYR  15           H        TYR  15   5.210   0.877  -1.642
  113    HA   TYR  15           HA       TYR  15   5.513   2.973  -2.441
  114    HB2  TYR  15           HB2      TYR  15   4.365   4.716  -0.884
  115    HB3  TYR  15           HB3      TYR  15   3.416   3.439  -1.617
  116    HD1  TYR  15           HD1      TYR  15   4.523   4.910   1.497
  117    HD2  TYR  15           HD2      TYR  15   2.795   1.446  -0.257
  118    HE1  TYR  15           HE1      TYR  15   3.766   4.170   3.716
  119    HE2  TYR  15           HE2      TYR  15   2.034   0.701   1.938
  120    HH   TYR  15           HH       TYR  15   2.100   2.713   4.712
  121    H    ARG  16           H        ARG  16   7.647   3.327  -2.599
  122    HA   ARG  16           HA       ARG  16   8.921   4.835  -0.422
  123    HB2  ARG  16           HB2      ARG  16  10.112   2.566  -2.019
  124    HB3  ARG  16           HB3      ARG  16  11.016   3.583  -0.905
  125    HG2  ARG  16           HG2      ARG  16   9.812   2.761   0.961
  126    HG3  ARG  16           HG3      ARG  16   8.632   1.953  -0.075
  127    HD2  ARG  16           HD2      ARG  16  10.248   0.371   0.874
  128    HD3  ARG  16           HD3      ARG  16  10.339   0.440  -0.888
  129    HE   ARG  16           HE       ARG  16  12.213   2.247   0.055
  130   HH11  ARG  16          HH11      ARG  16  11.643  -1.201   0.255
  131   HH12  ARG  16          HH12      ARG  16  13.314  -1.595   0.493
  132   HH21  ARG  16          HH21      ARG  16  14.417   1.734   0.350
  133   HH22  ARG  16          HH22      ARG  16  14.891   0.077   0.554
  Start of MODEL   18
    1    H2   PRO   1           HT1      PRO   1  -2.872  -2.020  -7.448
    2    H3   PRO   1           HT2      PRO   1  -2.276  -1.197  -8.726
    3    HA   PRO   1           HA       PRO   1  -0.485  -2.263  -8.499
    4    HB2  PRO   1           HB2      PRO   1   0.345  -1.392  -5.859
    5    HB3  PRO   1           HB3      PRO   1   1.016  -0.960  -7.439
    6    HG2  PRO   1           HG2      PRO   1  -0.387   0.789  -5.915
    7    HG3  PRO   1           HG3      PRO   1  -0.379   0.848  -7.687
    8    HD2  PRO   1           HD2      PRO   1  -2.441  -0.329  -5.839
    9    HD3  PRO   1           HD3      PRO   1  -2.676   0.695  -7.268
   10    H    SER   2           H        SER   2   0.930  -3.341  -6.335
   11    HA   SER   2           HA       SER   2  -0.618  -5.686  -5.841
   12    HB2  SER   2           HB2      SER   2   1.501  -6.213  -4.408
   13    HB3  SER   2           HB3      SER   2   1.637  -6.136  -6.166
   14    HG   SER   2           HG       SER   2   3.267  -4.879  -5.418
   15    H    ILE   3           H        ILE   3  -2.345  -5.257  -4.522
   16    HA   ILE   3           HA       ILE   3  -1.932  -3.926  -1.981
   17    HB   ILE   3           HB       ILE   3  -4.425  -5.344  -2.904
   18   HG12  ILE   3          HG12      ILE   3  -3.682  -2.420  -3.221
   19   HG13  ILE   3          HG13      ILE   3  -3.801  -3.589  -4.532
   20   HG21  ILE   3          HG21      ILE   3  -5.543  -3.920  -1.261
   21   HG22  ILE   3          HG22      ILE   3  -3.993  -3.196  -0.829
   22   HG23  ILE   3          HG23      ILE   3  -4.289  -4.905  -0.503
   23   HD11  ILE   3          HD11      ILE   3  -5.768  -2.186  -4.463
   24   HD12  ILE   3          HD12      ILE   3  -6.053  -2.637  -2.781
   25   HD13  ILE   3          HD13      ILE   3  -6.193  -3.849  -4.051
   26    H    HCS   4           H        HCS   4  -0.441  -5.333  -1.102
   27    HA   HCS   4           HA       HCS   4  -0.932  -8.093  -0.599
   28    HB2  HCS   4           HB1      HCS   4   0.851  -6.243   0.998
   29    HB3  HCS   4           HB2      HCS   4   1.004  -7.983   0.828
   30    HG2  HCS   4           HG1      HCS   4   1.578  -7.726  -1.509
   31    HG3  HCS   4           HG2      HCS   4   1.376  -5.987  -1.386
   32    H    HIS   5           H        HIS   5  -1.005  -5.212   1.365
   33    HA   HIS   5           HA       HIS   5  -3.463  -5.535   2.524
   34    HB2  HIS   5           HB2      HIS   5  -2.968  -6.208   4.839
   35    HB3  HIS   5           HB3      HIS   5  -2.580  -7.498   3.715
   36    HD1  HIS   5           HD1      HIS   5  -1.177  -5.520   6.437
   37    HD2  HIS   5           HD2      HIS   5   0.261  -7.809   3.283
   38    HE1  HIS   5           HE1      HIS   5   1.222  -6.023   7.008
   39    HE2  HIS   5           HE2      HIS   5   2.113  -7.283   5.013
   40    H    VAL   6           H        VAL   6  -3.552  -3.378   2.155
   41    HA   VAL   6           HA       VAL   6  -1.692  -1.725   3.680
   42    HB   VAL   6           HB       VAL   6  -2.263  -0.399   1.212
   43   HG11  VAL   6          HG11      VAL   6  -0.511   0.200   2.772
   44   HG12  VAL   6          HG12      VAL   6   0.176  -0.188   1.195
   45   HG13  VAL   6          HG13      VAL   6   0.281  -1.358   2.512
   46   HG21  VAL   6          HG21      VAL   6  -0.945  -1.765  -0.311
   47   HG22  VAL   6          HG22      VAL   6  -2.381  -2.639   0.231
   48   HG23  VAL   6          HG23      VAL   6  -0.804  -3.020   0.921
   49    H    HIS   7           H        HIS   7  -2.404   0.592   3.745
   50    HA   HIS   7           HA       HIS   7  -5.114   0.783   4.540
   51    HB2  HIS   7           HB2      HIS   7  -3.439   2.132   5.621
   52    HB3  HIS   7           HB3      HIS   7  -2.985   2.868   4.094
   53    HD1  HIS   7           HD1      HIS   7  -5.948   2.786   6.469
   54    HD2  HIS   7           HD2      HIS   7  -4.212   5.203   3.569
   55    HE1  HIS   7           HE1      HIS   7  -7.226   4.953   6.548
   56    HE2  HIS   7           HE2      HIS   7  -6.273   6.331   4.664
   57    H    ARG   8           H        ARG   8  -3.413   2.428   1.837
   58    HA   ARG   8           HA       ARG   8  -5.962   3.208   0.708
   59    HB2  ARG   8           HB2      ARG   8  -3.261   3.603  -0.562
   60    HB3  ARG   8           HB3      ARG   8  -4.722   4.534  -0.828
   61    HG2  ARG   8           HG2      ARG   8  -4.388   4.938   1.777
   62    HG3  ARG   8           HG3      ARG   8  -2.710   4.742   1.284
   63    HD2  ARG   8           HD2      ARG   8  -4.712   6.798   0.447
   64    HD3  ARG   8           HD3      ARG   8  -3.103   7.016   1.111
   65    HE   ARG   8           HE       ARG   8  -3.503   5.950  -1.610
   66   HH11  ARG   8          HH11      ARG   8  -2.045   8.245   0.619
   67   HH12  ARG   8          HH12      ARG   8  -1.084   9.014  -0.604
   68   HH21  ARG   8          HH21      ARG   8  -2.271   6.983  -3.228
   69   HH22  ARG   8          HH22      ARG   8  -1.220   8.307  -2.786
   70    HA   PRO   9           HA       PRO   9  -5.934  -0.083  -2.282
   71    HB2  PRO   9           HB2      PRO   9  -7.888   0.790  -3.906
   72    HB3  PRO   9           HB3      PRO   9  -8.217   0.276  -2.249
   73    HG2  PRO   9           HG2      PRO   9  -8.145   2.996  -3.402
   74    HG3  PRO   9           HG3      PRO   9  -9.051   2.386  -2.010
   75    HD2  PRO   9           HD2      PRO   9  -6.601   3.845  -1.990
   76    HD3  PRO   9           HD3      PRO   9  -7.447   3.142  -0.602
   77    H    ASP  10           H        ASP  10  -4.965   3.076  -3.046
   78    HA   ASP  10           HA       ASP  10  -4.468   2.486  -5.865
   79    HB2  ASP  10           HB2      ASP  10  -4.140   4.845  -6.145
   80    HB3  ASP  10           HB3      ASP  10  -5.599   4.620  -5.186
   81    H    TRP  11           H        TRP  11  -2.845   2.534  -2.874
   82    HA   TRP  11           HA       TRP  11  -0.282   2.987  -4.219
   83    HB2  TRP  11           HB2      TRP  11   0.619   3.797  -2.187
   84    HB3  TRP  11           HB3      TRP  11  -0.982   4.500  -2.303
   85    HD1  TRP  11           HD1      TRP  11  -1.768   1.211  -1.085
   86    HE1  TRP  11           HE1      TRP  11  -1.914   1.179   1.466
   87    HE3  TRP  11           HE3      TRP  11   0.556   5.640  -0.079
   88    HZ2  TRP  11           HZ2      TRP  11  -1.157   2.804   3.635
   89    HZ3  TRP  11           HZ3      TRP  11   0.795   6.334   2.268
   90    HH2  TRP  11           HH2      TRP  11  -0.033   4.929   4.085
   91    HA   PRO  12           HA       PRO  12   0.921  -1.193  -3.519
   92    HB2  PRO  12           HB2      PRO  12   3.557  -1.055  -3.111
   93    HB3  PRO  12           HB3      PRO  12   2.851  -0.549  -4.652
   94    HG2  PRO  12           HG2      PRO  12   3.678   1.140  -2.313
   95    HG3  PRO  12           HG3      PRO  12   4.035   1.377  -4.020
   96    HD2  PRO  12           HD2      PRO  12   2.029   2.679  -2.759
   97    HD3  PRO  12           HD3      PRO  12   1.953   2.245  -4.474
   98    H    CYS  13           H        CYS  13   2.659  -2.470  -1.947
   99    HA   CYS  13           HA       CYS  13   1.618  -2.015   0.728
  100    HB2  CYS  13           HB2      CYS  13   2.434  -4.239   1.260
  101    HB3  CYS  13           HB3      CYS  13   1.466  -4.279  -0.207
  102    H    TRP  14           H        TRP  14   4.041  -0.710  -0.823
  103    HA   TRP  14           HA       TRP  14   5.891  -0.849   1.452
  104    HB2  TRP  14           HB2      TRP  14   7.782  -0.792  -0.268
  105    HB3  TRP  14           HB3      TRP  14   6.910  -2.312  -0.097
  106    HD1  TRP  14           HD1      TRP  14   5.337  -3.052  -2.125
  107    HE1  TRP  14           HE1      TRP  14   5.273  -2.358  -4.600
  108    HE3  TRP  14           HE3      TRP  14   8.151   1.182  -1.830
  109    HZ2  TRP  14           HZ2      TRP  14   6.268  -0.269  -6.207
  110    HZ3  TRP  14           HZ3      TRP  14   8.525   2.497  -3.866
  111    HH2  TRP  14           HH2      TRP  14   7.605   1.779  -6.013
  112    H    TYR  15           H        TYR  15   5.161   0.861  -1.567
  113    HA   TYR  15           HA       TYR  15   5.503   3.002  -2.233
  114    HB2  TYR  15           HB2      TYR  15   4.275   4.639  -0.648
  115    HB3  TYR  15           HB3      TYR  15   3.365   3.358  -1.431
  116    HD1  TYR  15           HD1      TYR  15   4.570   4.635   1.791
  117    HD2  TYR  15           HD2      TYR  15   2.607   1.440  -0.209
  118    HE1  TYR  15           HE1      TYR  15   3.791   3.769   3.950
  119    HE2  TYR  15           HE2      TYR  15   1.831   0.570   1.934
  120    HH   TYR  15           HH       TYR  15   2.105   2.351   4.869
  121    H    ARG  16           H        ARG  16   7.671   3.326  -2.268
  122    HA   ARG  16           HA       ARG  16   8.819   4.807  -0.007
  123    HB2  ARG  16           HB2      ARG  16  10.104   2.449  -1.392
  124    HB3  ARG  16           HB3      ARG  16  10.893   3.470  -0.197
  125    HG2  ARG  16           HG2      ARG  16   9.470   2.708   1.530
  126    HG3  ARG  16           HG3      ARG  16   8.366   1.960   0.380
  127    HD2  ARG  16           HD2      ARG  16   9.785   0.316   1.540
  128    HD3  ARG  16           HD3      ARG  16  10.015   0.305  -0.211
  129    HE   ARG  16           HE       ARG  16  11.887   2.022   1.069
  130   HH11  ARG  16          HH11      ARG  16  11.195  -1.361   0.476
  131   HH12  ARG  16          HH12      ARG  16  12.858  -1.848   0.552
  132   HH21  ARG  16          HH21      ARG  16  14.074   1.386   1.186
  133   HH22  ARG  16          HH22      ARG  16  14.496  -0.280   0.954
  Start of MODEL   19
    1    H2   PRO   1           HT1      PRO   1  -1.351  -2.366  -8.626
    2    H3   PRO   1           HT2      PRO   1  -0.067  -2.063  -9.598
    3    HA   PRO   1           HA       PRO   1   1.330  -1.893  -8.004
    4    HB2  PRO   1           HB2      PRO   1  -0.043  -0.929  -5.726
    5    HB3  PRO   1           HB3      PRO   1   1.117  -0.056  -6.738
    6    HG2  PRO   1           HG2      PRO   1  -1.848  -0.054  -6.837
    7    HG3  PRO   1           HG3      PRO   1  -0.704   1.230  -7.269
    8    HD2  PRO   1           HD2      PRO   1  -2.000  -0.134  -9.160
    9    HD3  PRO   1           HD3      PRO   1  -0.302   0.333  -9.386
   10    H    SER   2           H        SER   2   1.833  -3.145  -6.051
   11    HA   SER   2           HA       SER   2   0.185  -5.485  -5.866
   12    HB2  SER   2           HB2      SER   2   2.636  -4.723  -4.262
   13    HB3  SER   2           HB3      SER   2   1.898  -6.324  -4.335
   14    HG   SER   2           HG       SER   2   2.363  -6.340  -6.583
   15    H    ILE   3           H        ILE   3  -1.757  -4.915  -4.976
   16    HA   ILE   3           HA       ILE   3  -1.906  -3.540  -2.437
   17    HB   ILE   3           HB       ILE   3  -4.126  -4.988  -3.870
   18   HG12  ILE   3          HG12      ILE   3  -3.392  -2.062  -4.064
   19   HG13  ILE   3          HG13      ILE   3  -3.050  -3.252  -5.315
   20   HG21  ILE   3          HG21      ILE   3  -4.540  -4.457  -1.503
   21   HG22  ILE   3          HG22      ILE   3  -5.599  -3.547  -2.581
   22   HG23  ILE   3          HG23      ILE   3  -4.205  -2.757  -1.842
   23   HD11  ILE   3          HD11      ILE   3  -5.782  -2.460  -4.334
   24   HD12  ILE   3          HD12      ILE   3  -5.438  -3.629  -5.608
   25   HD13  ILE   3          HD13      ILE   3  -5.025  -1.932  -5.834
   26    H    HCS   4           H        HCS   4  -0.914  -4.765  -0.931
   27    HA   HCS   4           HA       HCS   4  -1.499  -7.589  -0.695
   28    HB2  HCS   4           HB1      HCS   4   0.200  -5.853   1.101
   29    HB3  HCS   4           HB2      HCS   4   0.179  -7.613   1.057
   30    HG2  HCS   4           HG1      HCS   4   0.966  -7.521  -1.278
   31    HG3  HCS   4           HG2      HCS   4   1.068  -5.776  -1.145
   32    H    HIS   5           H        HIS   5  -2.068  -4.638   1.104
   33    HA   HIS   5           HA       HIS   5  -4.644  -5.165   1.801
   34    HB2  HIS   5           HB2      HIS   5  -4.602  -5.718   4.187
   35    HB3  HIS   5           HB3      HIS   5  -3.864  -6.993   3.240
   36    HD1  HIS   5           HD1      HIS   5  -3.275  -4.805   6.088
   37    HD2  HIS   5           HD2      HIS   5  -0.985  -7.037   3.433
   38    HE1  HIS   5           HE1      HIS   5  -1.023  -5.051   7.181
   39    HE2  HIS   5           HE2      HIS   5   0.314  -6.499   5.611
   40    H    VAL   6           H        VAL   6  -1.856  -3.975   3.549
   41    HA   VAL   6           HA       VAL   6  -1.296  -1.933   4.403
   42    HB   VAL   6           HB       VAL   6  -2.176  -0.552   1.962
   43   HG11  VAL   6          HG11      VAL   6   0.559  -0.953   3.152
   44   HG12  VAL   6          HG12      VAL   6  -0.551   0.343   3.598
   45   HG13  VAL   6          HG13      VAL   6   0.075   0.250   1.952
   46   HG21  VAL   6          HG21      VAL   6  -0.250  -2.869   1.770
   47   HG22  VAL   6          HG22      VAL   6  -0.587  -1.694   0.496
   48   HG23  VAL   6          HG23      VAL   6  -1.858  -2.791   1.043
   49    H    HIS   7           H        HIS   7  -2.405   0.595   3.285
   50    HA   HIS   7           HA       HIS   7  -4.869   0.756   4.873
   51    HB2  HIS   7           HB2      HIS   7  -3.185   2.207   5.772
   52    HB3  HIS   7           HB3      HIS   7  -2.771   2.810   4.180
   53    HD1  HIS   7           HD1      HIS   7  -5.455   3.143   6.825
   54    HD2  HIS   7           HD2      HIS   7  -4.209   4.943   3.280
   55    HE1  HIS   7           HE1      HIS   7  -6.777   5.279   6.639
   56    HE2  HIS   7           HE2      HIS   7  -6.120   6.261   4.414
   57    H    ARG   8           H        ARG   8  -3.377   2.331   2.017
   58    HA   ARG   8           HA       ARG   8  -5.947   3.071   0.967
   59    HB2  ARG   8           HB2      ARG   8  -3.247   3.155  -0.369
   60    HB3  ARG   8           HB3      ARG   8  -4.694   3.966  -0.919
   61    HG2  ARG   8           HG2      ARG   8  -4.609   5.294   1.234
   62    HG3  ARG   8           HG3      ARG   8  -2.992   4.601   1.454
   63    HD2  ARG   8           HD2      ARG   8  -2.200   5.540  -0.552
   64    HD3  ARG   8           HD3      ARG   8  -3.821   5.974  -1.066
   65    HE   ARG   8           HE       ARG   8  -3.005   7.302   1.344
   66   HH11  ARG   8          HH11      ARG   8  -2.950   7.337  -2.155
   67   HH12  ARG   8          HH12      ARG   8  -2.645   9.049  -2.258
   68   HH21  ARG   8          HH21      ARG   8  -2.625   9.572   1.210
   69   HH22  ARG   8          HH22      ARG   8  -2.445  10.312  -0.349
   70    HA   PRO   9           HA       PRO   9  -6.079  -0.338  -1.992
   71    HB2  PRO   9           HB2      PRO   9  -8.145   0.481  -3.473
   72    HB3  PRO   9           HB3      PRO   9  -8.374   0.009  -1.785
   73    HG2  PRO   9           HG2      PRO   9  -8.323   2.716  -3.005
   74    HG3  PRO   9           HG3      PRO   9  -9.234   2.131  -1.603
   75    HD2  PRO   9           HD2      PRO   9  -6.777   3.572  -1.578
   76    HD3  PRO   9           HD3      PRO   9  -7.597   2.829  -0.193
   77    H    ASP  10           H        ASP  10  -5.025   2.783  -2.620
   78    HA   ASP  10           HA       ASP  10  -4.730   2.377  -5.509
   79    HB2  ASP  10           HB2      ASP  10  -4.190   4.812  -5.554
   80    HB3  ASP  10           HB3      ASP  10  -5.803   4.456  -4.958
   81    H    TRP  11           H        TRP  11  -2.946   2.218  -2.640
   82    HA   TRP  11           HA       TRP  11  -0.446   2.603  -4.131
   83    HB2  TRP  11           HB2      TRP  11   0.593   3.451  -2.164
   84    HB3  TRP  11           HB3      TRP  11  -0.965   4.229  -2.271
   85    HD1  TRP  11           HD1      TRP  11  -1.852   1.049  -0.855
   86    HE1  TRP  11           HE1      TRP  11  -1.924   1.149   1.688
   87    HE3  TRP  11           HE3      TRP  11   0.687   5.411  -0.153
   88    HZ2  TRP  11           HZ2      TRP  11  -1.014   2.855   3.768
   89    HZ3  TRP  11           HZ3      TRP  11   1.053   6.207   2.148
   90    HH2  TRP  11           HH2      TRP  11   0.212   4.959   4.066
   91    HA   PRO  12           HA       PRO  12   0.678  -1.589  -3.214
   92    HB2  PRO  12           HB2      PRO  12   3.336  -1.495  -3.032
   93    HB3  PRO  12           HB3      PRO  12   2.519  -1.098  -4.548
   94    HG2  PRO  12           HG2      PRO  12   3.605   0.746  -2.451
   95    HG3  PRO  12           HG3      PRO  12   3.784   0.836  -4.201
   96    HD2  PRO  12           HD2      PRO  12   1.950   2.287  -2.809
   97    HD3  PRO  12           HD3      PRO  12   1.715   1.787  -4.495
   98    H    CYS  13           H        CYS  13   2.696  -2.668  -1.701
   99    HA   CYS  13           HA       CYS  13   1.868  -1.929   1.004
  100    HB2  CYS  13           HB2      CYS  13   2.576  -4.157   1.690
  101    HB3  CYS  13           HB3      CYS  13   1.422  -4.248   0.362
  102    H    TRP  14           H        TRP  14   4.049  -0.717  -0.733
  103    HA   TRP  14           HA       TRP  14   6.123  -0.778   1.329
  104    HB2  TRP  14           HB2      TRP  14   7.867  -0.764  -0.547
  105    HB3  TRP  14           HB3      TRP  14   7.058  -2.293  -0.225
  106    HD1  TRP  14           HD1      TRP  14   5.355  -3.191  -2.071
  107    HE1  TRP  14           HE1      TRP  14   5.097  -2.650  -4.578
  108    HE3  TRP  14           HE3      TRP  14   8.036   1.151  -2.237
  109    HZ2  TRP  14           HZ2      TRP  14   5.909  -0.630  -6.373
  110    HZ3  TRP  14           HZ3      TRP  14   8.218   2.344  -4.369
  111    HH2  TRP  14           HH2      TRP  14   7.180   1.467  -6.398
  112    H    TYR  15           H        TYR  15   5.080   0.758  -1.681
  113    HA   TYR  15           HA       TYR  15   5.339   2.848  -2.518
  114    HB2  TYR  15           HB2      TYR  15   4.238   4.573  -0.889
  115    HB3  TYR  15           HB3      TYR  15   3.287   3.291  -1.622
  116    HD1  TYR  15           HD1      TYR  15   4.523   4.674   1.496
  117    HD2  TYR  15           HD2      TYR  15   2.688   1.301  -0.310
  118    HE1  TYR  15           HE1      TYR  15   3.833   3.866   3.714
  119    HE2  TYR  15           HE2      TYR  15   2.007   0.483   1.878
  120    HH   TYR  15           HH       TYR  15   2.248   2.410   4.739
  121    H    ARG  16           H        ARG  16   7.458   3.227  -2.777
  122    HA   ARG  16           HA       ARG  16   8.762   4.858  -0.711
  123    HB2  ARG  16           HB2      ARG  16   9.967   2.565  -2.266
  124    HB3  ARG  16           HB3      ARG  16  10.899   3.697  -1.298
  125    HG2  ARG  16           HG2      ARG  16  10.001   2.913   0.707
  126    HG3  ARG  16           HG3      ARG  16   8.653   2.113  -0.105
  127    HD2  ARG  16           HD2      ARG  16  10.439   0.580   0.742
  128    HD3  ARG  16           HD3      ARG  16  10.085   0.422  -0.979
  129    HE   ARG  16           HE       ARG  16  12.160   2.217  -0.830
  130   HH11  ARG  16          HH11      ARG  16  11.644  -1.078   0.250
  131   HH12  ARG  16          HH12      ARG  16  13.310  -1.533   0.066
  132   HH21  ARG  16          HH21      ARG  16  14.345   1.619  -1.090
  133   HH22  ARG  16          HH22      ARG  16  14.841  -0.001  -0.708
  Start of MODEL   20
    1    H2   PRO   1           HT1      PRO   1  -1.794  -0.733  -7.066
    2    H3   PRO   1           HT2      PRO   1  -1.505  -0.746  -8.669
    3    HA   PRO   1           HA       PRO   1   0.122  -2.138  -8.564
    4    HB2  PRO   1           HB2      PRO   1   1.196  -1.878  -5.920
    5    HB3  PRO   1           HB3      PRO   1   1.981  -1.515  -7.464
    6    HG2  PRO   1           HG2      PRO   1   0.594   0.287  -5.591
    7    HG3  PRO   1           HG3      PRO   1   1.828   0.658  -6.805
    8    HD2  PRO   1           HD2      PRO   1  -0.730   1.396  -7.140
    9    HD3  PRO   1           HD3      PRO   1   0.265   0.882  -8.511
   10    H    SER   2           H        SER   2   0.722  -4.083  -7.002
   11    HA   SER   2           HA       SER   2  -1.685  -5.397  -6.378
   12    HB2  SER   2           HB2      SER   2   1.180  -6.038  -5.643
   13    HB3  SER   2           HB3      SER   2  -0.176  -7.131  -5.369
   14    HG   SER   2           HG       SER   2   1.176  -7.206  -7.458
   15    H    ILE   3           H        ILE   3  -2.903  -5.413  -4.604
   16    HA   ILE   3           HA       ILE   3  -2.009  -3.966  -2.247
   17    HB   ILE   3           HB       ILE   3  -4.655  -5.345  -2.670
   18   HG12  ILE   3          HG12      ILE   3  -3.979  -2.430  -3.149
   19   HG13  ILE   3          HG13      ILE   3  -4.170  -3.623  -4.429
   20   HG21  ILE   3          HG21      ILE   3  -4.076  -4.824  -0.341
   21   HG22  ILE   3          HG22      ILE   3  -5.451  -3.874  -0.904
   22   HG23  ILE   3          HG23      ILE   3  -3.858  -3.130  -0.782
   23   HD11  ILE   3          HD11      ILE   3  -6.164  -2.275  -4.174
   24   HD12  ILE   3          HD12      ILE   3  -6.300  -2.765  -2.484
   25   HD13  ILE   3          HD13      ILE   3  -6.491  -3.959  -3.770
   26    H    HCS   4           H        HCS   4  -0.561  -5.242  -1.195
   27    HA   HCS   4           HA       HCS   4  -1.008  -7.987  -0.569
   28    HB2  HCS   4           HB1      HCS   4   0.716  -6.078   1.003
   29    HB3  HCS   4           HB2      HCS   4   0.890  -7.818   0.866
   30    HG2  HCS   4           HG1      HCS   4   1.479  -7.564  -1.489
   31    HG3  HCS   4           HG2      HCS   4   1.328  -5.822  -1.333
   32    H    HIS   5           H        HIS   5  -1.036  -5.085   1.384
   33    HA   HIS   5           HA       HIS   5  -3.523  -5.327   2.525
   34    HB2  HIS   5           HB2      HIS   5  -3.062  -6.069   4.823
   35    HB3  HIS   5           HB3      HIS   5  -2.690  -7.347   3.677
   36    HD1  HIS   5           HD1      HIS   5  -1.242  -5.414   6.438
   37    HD2  HIS   5           HD2      HIS   5   0.136  -7.746   3.284
   38    HE1  HIS   5           HE1      HIS   5   1.134  -6.006   7.017
   39    HE2  HIS   5           HE2      HIS   5   1.903  -7.518   5.160
   40    H    VAL   6           H        VAL   6  -3.523  -3.177   2.161
   41    HA   VAL   6           HA       VAL   6  -1.645  -1.601   3.765
   42    HB   VAL   6           HB       VAL   6  -2.171  -0.285   1.254
   43   HG11  VAL   6          HG11      VAL   6   0.293  -0.071   1.292
   44   HG12  VAL   6          HG12      VAL   6   0.332  -1.121   2.712
   45   HG13  VAL   6          HG13      VAL   6  -0.480   0.447   2.788
   46   HG21  VAL   6          HG21      VAL   6  -2.235  -2.541   0.338
   47   HG22  VAL   6          HG22      VAL   6  -0.688  -2.906   1.097
   48   HG23  VAL   6          HG23      VAL   6  -0.780  -1.692  -0.182
   49    H    HIS   7           H        HIS   7  -2.303   0.720   3.911
   50    HA   HIS   7           HA       HIS   7  -4.968   1.054   4.682
   51    HB2  HIS   7           HB2      HIS   7  -3.204   2.468   5.544
   52    HB3  HIS   7           HB3      HIS   7  -2.866   3.088   3.938
   53    HD1  HIS   7           HD1      HIS   7  -5.365   3.373   6.732
   54    HD2  HIS   7           HD2      HIS   7  -4.407   5.184   3.115
   55    HE1  HIS   7           HE1      HIS   7  -6.751   5.469   6.647
   56    HE2  HIS   7           HE2      HIS   7  -6.326   6.428   4.350
   57    H    ARG   8           H        ARG   8  -3.413   2.656   1.864
   58    HA   ARG   8           HA       ARG   8  -5.976   3.187   0.678
   59    HB2  ARG   8           HB2      ARG   8  -3.270   3.459  -0.631
   60    HB3  ARG   8           HB3      ARG   8  -4.760   4.245  -1.113
   61    HG2  ARG   8           HG2      ARG   8  -4.701   5.427   1.124
   62    HG3  ARG   8           HG3      ARG   8  -3.047   4.816   1.277
   63    HD2  ARG   8           HD2      ARG   8  -2.398   5.933  -0.745
   64    HD3  ARG   8           HD3      ARG   8  -4.059   6.432  -1.036
   65    HE   ARG   8           HE       ARG   8  -3.063   7.379   1.468
   66   HH11  ARG   8          HH11      ARG   8  -3.080   7.975  -1.974
   67   HH12  ARG   8          HH12      ARG   8  -2.795   9.680  -1.818
   68   HH21  ARG   8          HH21      ARG   8  -2.693   9.629   1.698
   69   HH22  ARG   8          HH22      ARG   8  -2.568  10.622   0.282
   70    HA   PRO   9           HA       PRO   9  -5.905  -0.433  -1.948
   71    HB2  PRO   9           HB2      PRO   9  -8.041   0.105  -3.442
   72    HB3  PRO   9           HB3      PRO   9  -8.198  -0.152  -1.700
   73    HG2  PRO   9           HG2      PRO   9  -8.294   2.384  -3.254
   74    HG3  PRO   9           HG3      PRO   9  -9.157   1.936  -1.774
   75    HD2  PRO   9           HD2      PRO   9  -6.770   3.468  -1.973
   76    HD3  PRO   9           HD3      PRO   9  -7.535   2.858  -0.494
   77    H    ASP  10           H        ASP  10  -4.802   2.494  -2.854
   78    HA   ASP  10           HA       ASP  10  -4.604   1.844  -5.714
   79    HB2  ASP  10           HB2      ASP  10  -5.842   3.923  -5.174
   80    HB3  ASP  10           HB3      ASP  10  -4.401   4.554  -4.388
   81    H    TRP  11           H        TRP  11  -2.854   2.451  -2.817
   82    HA   TRP  11           HA       TRP  11  -0.357   2.833  -4.303
   83    HB2  TRP  11           HB2      TRP  11   0.578   3.781  -2.315
   84    HB3  TRP  11           HB3      TRP  11  -1.032   4.446  -2.490
   85    HD1  TRP  11           HD1      TRP  11  -1.801   1.253  -1.054
   86    HE1  TRP  11           HE1      TRP  11  -1.934   1.377   1.494
   87    HE3  TRP  11           HE3      TRP  11   0.547   5.728  -0.330
   88    HZ2  TRP  11           HZ2      TRP  11  -1.128   3.121   3.557
   89    HZ3  TRP  11           HZ3      TRP  11   0.841   6.539   1.966
   90    HH2  TRP  11           HH2      TRP  11   0.019   5.255   3.864
   91    HA   PRO  12           HA       PRO  12   1.048  -1.237  -3.410
   92    HB2  PRO  12           HB2      PRO  12   3.677  -0.984  -2.924
   93    HB3  PRO  12           HB3      PRO  12   2.988  -0.654  -4.517
   94    HG2  PRO  12           HG2      PRO  12   3.761   1.269  -2.357
   95    HG3  PRO  12           HG3      PRO  12   4.058   1.368  -4.086
   96    HD2  PRO  12           HD2      PRO  12   2.035   2.700  -2.860
   97    HD3  PRO  12           HD3      PRO  12   1.950   2.156  -4.544
   98    H    CYS  13           H        CYS  13   2.702  -2.459  -1.775
   99    HA   CYS  13           HA       CYS  13   1.613  -1.908   0.868
  100    HB2  CYS  13           HB2      CYS  13   2.456  -4.134   1.444
  101    HB3  CYS  13           HB3      CYS  13   1.454  -4.192  -0.005
  102    H    TRP  14           H        TRP  14   3.998  -0.543  -0.623
  103    HA   TRP  14           HA       TRP  14   5.842  -0.607   1.642
  104    HB2  TRP  14           HB2      TRP  14   7.767  -0.667  -0.045
  105    HB3  TRP  14           HB3      TRP  14   6.896  -2.172   0.220
  106    HD1  TRP  14           HD1      TRP  14   5.345  -3.052  -1.771
  107    HE1  TRP  14           HE1      TRP  14   5.340  -2.547  -4.294
  108    HE3  TRP  14           HE3      TRP  14   8.198   1.155  -1.730
  109    HZ2  TRP  14           HZ2      TRP  14   6.415  -0.595  -6.039
  110    HZ3  TRP  14           HZ3      TRP  14   8.657   2.302  -3.846
  111    HH2  TRP  14           HH2      TRP  14   7.783   1.444  -5.964
  112    H    TYR  15           H        TYR  15   5.230   0.892  -1.516
  113    HA   TYR  15           HA       TYR  15   5.676   2.959  -2.338
  114    HB2  TYR  15           HB2      TYR  15   4.361   4.752  -1.047
  115    HB3  TYR  15           HB3      TYR  15   3.486   3.388  -1.709
  116    HD1  TYR  15           HD1      TYR  15   4.467   5.107   1.342
  117    HD2  TYR  15           HD2      TYR  15   2.688   1.596  -0.253
  118    HE1  TYR  15           HE1      TYR  15   3.574   4.561   3.561
  119    HE2  TYR  15           HE2      TYR  15   1.796   1.038   1.945
  120    HH   TYR  15           HH       TYR  15   1.748   3.244   4.535
  121    H    ARG  16           H        ARG  16   7.863   3.079  -2.186
  122    HA   ARG  16           HA       ARG  16   8.910   4.821  -0.058
  123    HB2  ARG  16           HB2      ARG  16  10.206   2.370  -1.267
  124    HB3  ARG  16           HB3      ARG  16  11.013   3.486  -0.177
  125    HG2  ARG  16           HG2      ARG  16   9.708   2.843   1.645
  126    HG3  ARG  16           HG3      ARG  16   8.482   2.097   0.618
  127    HD2  ARG  16           HD2      ARG  16  10.010   0.327   0.013
  128    HD3  ARG  16           HD3      ARG  16  11.311   1.100   0.923
  129    HE   ARG  16           HE       ARG  16   9.355   0.731   2.779
  130   HH11  ARG  16          HH11      ARG  16  11.003  -1.382   0.526
  131   HH12  ARG  16          HH12      ARG  16  10.863  -2.786   1.542
  132   HH21  ARG  16          HH21      ARG  16   9.147  -1.096   4.113
  133   HH22  ARG  16          HH22      ARG  16   9.798  -2.621   3.597
  Start of MODEL   21
    1    H2   PRO   1           HT1      PRO   1  -1.483  -2.249  -7.280
    2    H3   PRO   1           HT2      PRO   1  -1.165  -1.433  -8.661
    3    HA   PRO   1           HA       PRO   1   0.672  -2.473  -8.593
    4    HB2  PRO   1           HB2      PRO   1   2.128  -1.034  -6.675
    5    HB3  PRO   1           HB3      PRO   1   1.971  -0.652  -8.396
    6    HG2  PRO   1           HG2      PRO   1   0.915   0.838  -6.272
    7    HG3  PRO   1           HG3      PRO   1   0.497   1.007  -7.982
    8    HD2  PRO   1           HD2      PRO   1  -0.947  -0.458  -5.810
    9    HD3  PRO   1           HD3      PRO   1  -1.605   0.451  -7.183
   10    H    SER   2           H        SER   2  -0.234  -4.403  -7.601
   11    HA   SER   2           HA       SER   2  -0.344  -6.094  -6.108
   12    HB2  SER   2           HB2      SER   2   2.367  -5.024  -5.305
   13    HB3  SER   2           HB3      SER   2   1.754  -6.646  -4.976
   14    HG   SER   2           HG       SER   2   1.570  -5.935  -7.610
   15    H    ILE   3           H        ILE   3  -2.112  -4.952  -5.020
   16    HA   ILE   3           HA       ILE   3  -1.494  -3.549  -2.570
   17    HB   ILE   3           HB       ILE   3  -4.193  -4.479  -3.536
   18   HG12  ILE   3          HG12      ILE   3  -2.925  -1.763  -3.913
   19   HG13  ILE   3          HG13      ILE   3  -2.968  -3.002  -5.163
   20   HG21  ILE   3          HG21      ILE   3  -5.042  -2.687  -2.074
   21   HG22  ILE   3          HG22      ILE   3  -3.392  -2.361  -1.543
   22   HG23  ILE   3          HG23      ILE   3  -4.145  -3.912  -1.175
   23   HD11  ILE   3          HD11      ILE   3  -5.401  -2.940  -5.146
   24   HD12  ILE   3          HD12      ILE   3  -4.719  -1.349  -5.479
   25   HD13  ILE   3          HD13      ILE   3  -5.365  -1.715  -3.882
   26    H    HCS   4           H        HCS   4  -0.524  -4.925  -1.210
   27    HA   HCS   4           HA       HCS   4  -1.277  -7.615  -0.810
   28    HB2  HCS   4           HB1      HCS   4   0.307  -5.857   1.063
   29    HB3  HCS   4           HB2      HCS   4   0.318  -7.614   1.008
   30    HG2  HCS   4           HG1      HCS   4   1.252  -7.508  -1.265
   31    HG3  HCS   4           HG2      HCS   4   1.299  -5.759  -1.148
   32    H    HIS   5           H        HIS   5  -1.907  -4.665   0.962
   33    HA   HIS   5           HA       HIS   5  -4.516  -5.209   1.596
   34    HB2  HIS   5           HB2      HIS   5  -4.424  -5.584   4.062
   35    HB3  HIS   5           HB3      HIS   5  -3.848  -6.946   3.117
   36    HD1  HIS   5           HD1      HIS   5  -2.903  -4.750   5.870
   37    HD2  HIS   5           HD2      HIS   5  -0.976  -7.219   3.142
   38    HE1  HIS   5           HE1      HIS   5  -0.606  -5.144   6.821
   39    HE2  HIS   5           HE2      HIS   5   0.468  -6.793   5.247
   40    H    VAL   6           H        VAL   6  -1.979  -3.901   3.635
   41    HA   VAL   6           HA       VAL   6  -1.408  -1.819   4.301
   42    HB   VAL   6           HB       VAL   6  -2.134  -0.529   1.767
   43   HG11  VAL   6          HG11      VAL   6  -0.570   0.400   3.437
   44   HG12  VAL   6          HG12      VAL   6   0.149   0.210   1.840
   45   HG13  VAL   6          HG13      VAL   6   0.522  -0.948   3.119
   46   HG21  VAL   6          HG21      VAL   6  -0.490  -1.734   0.415
   47   HG22  VAL   6          HG22      VAL   6  -1.814  -2.789   0.913
   48   HG23  VAL   6          HG23      VAL   6  -0.254  -2.886   1.731
   49    H    HIS   7           H        HIS   7  -2.273   0.725   3.498
   50    HA   HIS   7           HA       HIS   7  -4.868   0.862   4.818
   51    HB2  HIS   7           HB2      HIS   7  -3.179   2.290   5.770
   52    HB3  HIS   7           HB3      HIS   7  -2.791   2.965   4.199
   53    HD1  HIS   7           HD1      HIS   7  -5.667   2.922   6.674
   54    HD2  HIS   7           HD2      HIS   7  -4.141   5.210   3.560
   55    HE1  HIS   7           HE1      HIS   7  -7.037   5.031   6.650
   56    HE2  HIS   7           HE2      HIS   7  -6.248   6.281   4.606
   57    H    ARG   8           H        ARG   8  -3.364   2.643   2.079
   58    HA   ARG   8           HA       ARG   8  -5.927   3.368   1.046
   59    HB2  ARG   8           HB2      ARG   8  -3.283   3.530  -0.403
   60    HB3  ARG   8           HB3      ARG   8  -4.735   4.445  -0.748
   61    HG2  ARG   8           HG2      ARG   8  -4.371   5.215   1.746
   62    HG3  ARG   8           HG3      ARG   8  -2.697   4.847   1.332
   63    HD2  ARG   8           HD2      ARG   8  -4.550   6.879   0.180
   64    HD3  ARG   8           HD3      ARG   8  -2.904   7.078   0.755
   65    HE   ARG   8           HE       ARG   8  -3.613   5.729  -1.784
   66   HH11  ARG   8          HH11      ARG   8  -1.468   7.786   0.108
   67   HH12  ARG   8          HH12      ARG   8  -0.435   8.141  -1.238
   68   HH21  ARG   8          HH21      ARG   8  -2.279   6.245  -3.549
   69   HH22  ARG   8          HH22      ARG   8  -0.895   7.282  -3.309
   70    HA   PRO   9           HA       PRO   9  -6.395  -0.115  -1.663
   71    HB2  PRO   9           HB2      PRO   9  -8.544   0.687  -3.009
   72    HB3  PRO   9           HB3      PRO   9  -8.616   0.416  -1.265
   73    HG2  PRO   9           HG2      PRO   9  -8.511   2.978  -2.775
   74    HG3  PRO   9           HG3      PRO   9  -9.344   2.601  -1.258
   75    HD2  PRO   9           HD2      PRO   9  -6.828   3.866  -1.548
   76    HD3  PRO   9           HD3      PRO   9  -7.557   3.282  -0.043
   77    H    ASP  10           H        ASP  10  -4.837   2.525  -2.614
   78    HA   ASP  10           HA       ASP  10  -4.832   1.746  -5.439
   79    HB2  ASP  10           HB2      ASP  10  -4.491   4.031  -6.060
   80    HB3  ASP  10           HB3      ASP  10  -5.901   3.963  -5.019
   81    H    TRP  11           H        TRP  11  -2.991   2.219  -2.602
   82    HA   TRP  11           HA       TRP  11  -0.533   2.511  -4.179
   83    HB2  TRP  11           HB2      TRP  11   0.518   3.466  -2.266
   84    HB3  TRP  11           HB3      TRP  11  -1.070   4.195  -2.384
   85    HD1  TRP  11           HD1      TRP  11  -1.848   1.048  -0.850
   86    HE1  TRP  11           HE1      TRP  11  -1.896   1.230   1.690
   87    HE3  TRP  11           HE3      TRP  11   0.541   5.523  -0.309
   88    HZ2  TRP  11           HZ2      TRP  11  -1.027   3.022   3.696
   89    HZ3  TRP  11           HZ3      TRP  11   0.895   6.407   1.959
   90    HH2  TRP  11           HH2      TRP  11   0.115   5.179   3.925
   91    HA   PRO  12           HA       PRO  12   0.809  -1.576  -3.177
   92    HB2  PRO  12           HB2      PRO  12   3.471  -1.349  -2.922
   93    HB3  PRO  12           HB3      PRO  12   2.664  -1.069  -4.470
   94    HG2  PRO  12           HG2      PRO  12   3.633   0.917  -2.451
   95    HG3  PRO  12           HG3      PRO  12   3.799   0.952  -4.204
   96    HD2  PRO  12           HD2      PRO  12   1.891   2.357  -2.861
   97    HD3  PRO  12           HD3      PRO  12   1.677   1.774  -4.520
   98    H    CYS  13           H        CYS  13   2.762  -2.629  -1.613
   99    HA   CYS  13           HA       CYS  13   1.890  -1.869   1.071
  100    HB2  CYS  13           HB2      CYS  13   2.615  -4.061   1.804
  101    HB3  CYS  13           HB3      CYS  13   1.519  -4.218   0.436
  102    H    TRP  14           H        TRP  14   4.125  -0.709  -0.695
  103    HA   TRP  14           HA       TRP  14   6.141  -0.679   1.424
  104    HB2  TRP  14           HB2      TRP  14   7.914  -0.704  -0.421
  105    HB3  TRP  14           HB3      TRP  14   7.107  -2.224  -0.056
  106    HD1  TRP  14           HD1      TRP  14   5.448  -3.191  -1.868
  107    HE1  TRP  14           HE1      TRP  14   5.214  -2.775  -4.398
  108    HE3  TRP  14           HE3      TRP  14   8.091   1.156  -2.200
  109    HZ2  TRP  14           HZ2      TRP  14   6.020  -0.833  -6.269
  110    HZ3  TRP  14           HZ3      TRP  14   8.294   2.247  -4.393
  111    HH2  TRP  14           HH2      TRP  14   7.275   1.272  -6.385
  112    H    TYR  15           H        TYR  15   5.206   0.762  -1.672
  113    HA   TYR  15           HA       TYR  15   5.546   2.826  -2.556
  114    HB2  TYR  15           HB2      TYR  15   4.245   4.574  -1.157
  115    HB3  TYR  15           HB3      TYR  15   3.392   3.186  -1.810
  116    HD1  TYR  15           HD1      TYR  15   4.412   4.906   1.216
  117    HD2  TYR  15           HD2      TYR  15   2.781   1.308  -0.346
  118    HE1  TYR  15           HE1      TYR  15   3.633   4.288   3.464
  119    HE2  TYR  15           HE2      TYR  15   2.007   0.682   1.879
  120    HH   TYR  15           HH       TYR  15   2.462   1.149   4.197
  121    H    ARG  16           H        ARG  16   7.684   3.232  -2.632
  122    HA   ARG  16           HA       ARG  16   8.790   4.918  -0.487
  123    HB2  ARG  16           HB2      ARG  16  10.118   2.652  -1.973
  124    HB3  ARG  16           HB3      ARG  16  10.990   3.805  -0.972
  125    HG2  ARG  16           HG2      ARG  16  10.018   3.022   0.992
  126    HG3  ARG  16           HG3      ARG  16   8.705   2.215   0.133
  127    HD2  ARG  16           HD2      ARG  16  10.130   0.513  -0.648
  128    HD3  ARG  16           HD3      ARG  16  11.578   1.412  -0.183
  129    HE   ARG  16           HE       ARG  16  10.042   0.934   2.111
  130   HH11  ARG  16          HH11      ARG  16  11.923  -0.824  -0.251
  131   HH12  ARG  16          HH12      ARG  16  12.413  -2.058   0.870
  132   HH21  ARG  16          HH21      ARG  16  10.702  -0.672   3.594
  133   HH22  ARG  16          HH22      ARG  16  11.728  -1.966   3.058
  Start of MODEL   22
    1    H2   PRO   1           HT1      PRO   1  -1.805  -1.694  -8.193
    2    H3   PRO   1           HT2      PRO   1  -0.691  -1.242  -9.296
    3    HA   PRO   1           HA       PRO   1   0.893  -1.855  -8.085
    4    HB2  PRO   1           HB2      PRO   1   0.088  -0.617  -5.543
    5    HB3  PRO   1           HB3      PRO   1   1.599  -0.466  -6.452
    6    HG2  PRO   1           HG2      PRO   1  -0.216   1.511  -6.417
    7    HG3  PRO   1           HG3      PRO   1   0.754   1.153  -7.859
    8    HD2  PRO   1           HD2      PRO   1  -2.093   0.444  -7.264
    9    HD3  PRO   1           HD3      PRO   1  -1.369   0.998  -8.781
   10    H    SER   2           H        SER   2   1.477  -3.261  -6.225
   11    HA   SER   2           HA       SER   2  -0.480  -5.307  -5.970
   12    HB2  SER   2           HB2      SER   2   2.208  -5.020  -4.609
   13    HB3  SER   2           HB3      SER   2   1.260  -6.503  -4.732
   14    HG   SER   2           HG       SER   2   1.403  -6.127  -7.093
   15    H    ILE   3           H        ILE   3  -2.203  -4.881  -4.725
   16    HA   ILE   3           HA       ILE   3  -1.908  -3.603  -2.142
   17    HB   ILE   3           HB       ILE   3  -4.380  -4.908  -3.256
   18   HG12  ILE   3          HG12      ILE   3  -3.569  -2.008  -3.478
   19   HG13  ILE   3          HG13      ILE   3  -3.473  -3.170  -4.800
   20   HG21  ILE   3          HG21      ILE   3  -4.491  -4.481  -0.887
   21   HG22  ILE   3          HG22      ILE   3  -5.532  -3.337  -1.736
   22   HG23  ILE   3          HG23      ILE   3  -3.959  -2.817  -1.132
   23   HD11  ILE   3          HD11      ILE   3  -5.985  -2.310  -3.384
   24   HD12  ILE   3          HD12      ILE   3  -5.890  -3.483  -4.700
   25   HD13  ILE   3          HD13      ILE   3  -5.462  -1.799  -4.988
   26    H    HCS   4           H        HCS   4  -0.755  -4.958  -0.878
   27    HA   HCS   4           HA       HCS   4  -1.390  -7.764  -0.699
   28    HB2  HCS   4           HB1      HCS   4   0.489  -6.146   1.022
   29    HB3  HCS   4           HB2      HCS   4   0.482  -7.891   0.827
   30    HG2  HCS   4           HG1      HCS   4   1.124  -7.636  -1.506
   31    HG3  HCS   4           HG2      HCS   4   1.114  -5.888  -1.321
   32    H    HIS   5           H        HIS   5  -1.504  -4.959   1.391
   33    HA   HIS   5           HA       HIS   5  -3.836  -5.435   2.738
   34    HB2  HIS   5           HB2      HIS   5  -3.051  -6.229   4.974
   35    HB3  HIS   5           HB3      HIS   5  -2.951  -7.450   3.722
   36    HD1  HIS   5           HD1      HIS   5  -0.944  -5.717   6.258
   37    HD2  HIS   5           HD2      HIS   5  -0.275  -7.996   2.854
   38    HE1  HIS   5           HE1      HIS   5   1.449  -6.476   6.413
   39    HE2  HIS   5           HE2      HIS   5   1.779  -7.986   4.424
   40    H    VAL   6           H        VAL   6  -3.478  -3.233   2.061
   41    HA   VAL   6           HA       VAL   6  -1.697  -1.726   3.855
   42    HB   VAL   6           HB       VAL   6  -2.182  -0.413   1.308
   43   HG11  VAL   6          HG11      VAL   6  -0.515   0.347   2.861
   44   HG12  VAL   6          HG12      VAL   6   0.273  -0.193   1.377
   45   HG13  VAL   6          HG13      VAL   6   0.298  -1.220   2.812
   46   HG21  VAL   6          HG21      VAL   6  -0.689  -3.034   1.238
   47   HG22  VAL   6          HG22      VAL   6  -0.767  -1.849  -0.067
   48   HG23  VAL   6          HG23      VAL   6  -2.227  -2.696   0.441
   49    H    HIS   7           H        HIS   7  -2.295   0.672   3.878
   50    HA   HIS   7           HA       HIS   7  -4.940   1.066   4.702
   51    HB2  HIS   7           HB2      HIS   7  -3.205   2.533   5.501
   52    HB3  HIS   7           HB3      HIS   7  -2.802   3.024   3.863
   53    HD1  HIS   7           HD1      HIS   7  -5.497   3.503   6.470
   54    HD2  HIS   7           HD2      HIS   7  -4.219   5.130   2.860
   55    HE1  HIS   7           HE1      HIS   7  -6.834   5.615   6.165
   56    HE2  HIS   7           HE2      HIS   7  -6.150   6.499   3.910
   57    H    ARG   8           H        ARG   8  -3.391   2.414   1.764
   58    HA   ARG   8           HA       ARG   8  -5.947   3.134   0.675
   59    HB2  ARG   8           HB2      ARG   8  -3.280   3.076  -0.714
   60    HB3  ARG   8           HB3      ARG   8  -4.713   3.891  -1.267
   61    HG2  ARG   8           HG2      ARG   8  -4.571   5.378   0.715
   62    HG3  ARG   8           HG3      ARG   8  -3.016   4.616   1.092
   63    HD2  ARG   8           HD2      ARG   8  -2.096   5.289  -0.984
   64    HD3  ARG   8           HD3      ARG   8  -3.662   5.859  -1.549
   65    HE   ARG   8           HE       ARG   8  -2.914   7.265   0.772
   66   HH11  ARG   8          HH11      ARG   8  -2.172   6.973  -2.653
   67   HH12  ARG   8          HH12      ARG   8  -1.521   8.586  -2.766
   68   HH21  ARG   8          HH21      ARG   8  -2.079   9.385   0.610
   69   HH22  ARG   8          HH22      ARG   8  -1.484   9.955  -0.913
   70    HA   PRO   9           HA       PRO   9  -6.076  -0.377  -2.182
   71    HB2  PRO   9           HB2      PRO   9  -8.236   0.369  -3.569
   72    HB3  PRO   9           HB3      PRO   9  -8.376  -0.156  -1.889
   73    HG2  PRO   9           HG2      PRO   9  -8.601   2.554  -3.031
   74    HG3  PRO   9           HG3      PRO   9  -9.288   1.908  -1.532
   75    HD2  PRO   9           HD2      PRO   9  -6.887   3.466  -1.869
   76    HD3  PRO   9           HD3      PRO   9  -7.582   2.848  -0.367
   77    H    ASP  10           H        ASP  10  -4.785   2.428  -2.581
   78    HA   ASP  10           HA       ASP  10  -4.822   2.606  -5.512
   79    HB2  ASP  10           HB2      ASP  10  -5.595   4.669  -4.903
   80    HB3  ASP  10           HB3      ASP  10  -4.864   4.592  -3.310
   81    H    TRP  11           H        TRP  11  -2.866   2.097  -2.743
   82    HA   TRP  11           HA       TRP  11  -0.447   2.555  -4.336
   83    HB2  TRP  11           HB2      TRP  11   0.655   3.426  -2.404
   84    HB3  TRP  11           HB3      TRP  11  -0.897   4.219  -2.526
   85    HD1  TRP  11           HD1      TRP  11  -1.796   1.071  -1.018
   86    HE1  TRP  11           HE1      TRP  11  -1.892   1.270   1.528
   87    HE3  TRP  11           HE3      TRP  11   0.757   5.440  -0.454
   88    HZ2  TRP  11           HZ2      TRP  11  -1.007   3.054   3.534
   89    HZ3  TRP  11           HZ3      TRP  11   1.092   6.331   1.810
   90    HH2  TRP  11           HH2      TRP  11   0.224   5.152   3.757
   91    HA   PRO  12           HA       PRO  12   0.818  -1.572  -3.335
   92    HB2  PRO  12           HB2      PRO  12   3.475  -1.429  -3.069
   93    HB3  PRO  12           HB3      PRO  12   2.691  -1.062  -4.611
   94    HG2  PRO  12           HG2      PRO  12   3.675   0.826  -2.503
   95    HG3  PRO  12           HG3      PRO  12   3.904   0.908  -4.241
   96    HD2  PRO  12           HD2      PRO  12   2.001   2.329  -2.929
   97    HD3  PRO  12           HD3      PRO  12   1.819   1.794  -4.611
   98    H    CYS  13           H        CYS  13   2.661  -2.708  -1.773
   99    HA   CYS  13           HA       CYS  13   1.752  -2.038   0.915
  100    HB2  CYS  13           HB2      CYS  13   2.570  -4.273   1.522
  101    HB3  CYS  13           HB3      CYS  13   1.423  -4.334   0.188
  102    H    TRP  14           H        TRP  14   4.026  -0.774  -0.747
  103    HA   TRP  14           HA       TRP  14   6.012  -0.818   1.393
  104    HB2  TRP  14           HB2      TRP  14   7.823  -0.838  -0.408
  105    HB3  TRP  14           HB3      TRP  14   6.987  -2.355  -0.093
  106    HD1  TRP  14           HD1      TRP  14   5.357  -3.262  -1.998
  107    HE1  TRP  14           HE1      TRP  14   5.227  -2.795  -4.525
  108    HE3  TRP  14           HE3      TRP  14   8.113   1.016  -2.145
  109    HZ2  TRP  14           HZ2      TRP  14   6.150  -0.831  -6.337
  110    HZ3  TRP  14           HZ3      TRP  14   8.427   2.147  -4.297
  111    HH2  TRP  14           HH2      TRP  14   7.463   1.239  -6.348
  112    H    TYR  15           H        TYR  15   5.206   0.697  -1.707
  113    HA   TYR  15           HA       TYR  15   5.607   2.775  -2.530
  114    HB2  TYR  15           HB2      TYR  15   4.310   4.524  -1.165
  115    HB3  TYR  15           HB3      TYR  15   3.435   3.142  -1.807
  116    HD1  TYR  15           HD1      TYR  15   4.622   4.775   1.251
  117    HD2  TYR  15           HD2      TYR  15   2.667   1.369  -0.368
  118    HE1  TYR  15           HE1      TYR  15   3.861   4.152   3.495
  119    HE2  TYR  15           HE2      TYR  15   1.912   0.743   1.858
  120    HH   TYR  15           HH       TYR  15   2.161   2.859   4.564
  121    H    ARG  16           H        ARG  16   7.701   3.257  -2.596
  122    HA   ARG  16           HA       ARG  16   8.878   4.579  -0.246
  123    HB2  ARG  16           HB2      ARG  16  10.147   2.649  -2.190
  124    HB3  ARG  16           HB3      ARG  16  11.054   3.588  -1.010
  125    HG2  ARG  16           HG2      ARG  16  10.140   2.429   0.795
  126    HG3  ARG  16           HG3      ARG  16   8.796   1.799  -0.166
  127    HD2  ARG  16           HD2      ARG  16  10.557   0.114   0.379
  128    HD3  ARG  16           HD3      ARG  16  10.271   0.317  -1.348
  129    HE   ARG  16           HE       ARG  16  12.465   1.810  -0.101
  130   HH11  ARG  16          HH11      ARG  16  11.441  -0.838  -2.143
  131   HH12  ARG  16          HH12      ARG  16  12.989  -1.026  -2.898
  132   HH21  ARG  16          HH21      ARG  16  14.506   1.579  -1.084
  133   HH22  ARG  16          HH22      ARG  16  14.741   0.363  -2.302
  Start of MODEL   23
    1    H2   PRO   1           HT1      PRO   1  -1.905  -1.419  -8.179
    2    H3   PRO   1           HT2      PRO   1  -0.770  -0.796  -9.173
    3    HA   PRO   1           HA       PRO   1   0.659  -2.037  -8.306
    4    HB2  PRO   1           HB2      PRO   1   0.513  -1.203  -5.522
    5    HB3  PRO   1           HB3      PRO   1   1.818  -0.970  -6.694
    6    HG2  PRO   1           HG2      PRO   1   0.239   1.061  -5.831
    7    HG3  PRO   1           HG3      PRO   1   0.964   1.015  -7.450
    8    HD2  PRO   1           HD2      PRO   1  -1.834   0.336  -6.600
    9    HD3  PRO   1           HD3      PRO   1  -1.281   1.250  -8.014
   10    H    SER   2           H        SER   2   1.134  -3.659  -6.427
   11    HA   SER   2           HA       SER   2  -1.208  -5.307  -6.150
   12    HB2  SER   2           HB2      SER   2   1.631  -5.710  -5.181
   13    HB3  SER   2           HB3      SER   2   0.361  -6.936  -5.159
   14    HG   SER   2           HG       SER   2   0.284  -6.236  -7.571
   15    H    ILE   3           H        ILE   3  -2.618  -4.962  -4.597
   16    HA   ILE   3           HA       ILE   3  -1.888  -3.692  -2.103
   17    HB   ILE   3           HB       ILE   3  -4.542  -4.928  -2.847
   18   HG12  ILE   3          HG12      ILE   3  -3.682  -2.046  -3.152
   19   HG13  ILE   3          HG13      ILE   3  -3.781  -3.198  -4.483
   20   HG21  ILE   3          HG21      ILE   3  -3.838  -2.809  -0.819
   21   HG22  ILE   3          HG22      ILE   3  -4.220  -4.491  -0.457
   22   HG23  ILE   3          HG23      ILE   3  -5.451  -3.433  -1.150
   23   HD11  ILE   3          HD11      ILE   3  -6.082  -2.341  -2.747
   24   HD12  ILE   3          HD12      ILE   3  -6.162  -3.436  -4.131
   25   HD13  ILE   3          HD13      ILE   3  -5.733  -1.742  -4.369
   26    H    HCS   4           H        HCS   4  -0.694  -4.972  -0.847
   27    HA   HCS   4           HA       HCS   4  -1.130  -7.784  -0.597
   28    HB2  HCS   4           HB1      HCS   4   0.533  -5.947   1.133
   29    HB3  HCS   4           HB2      HCS   4   0.641  -7.700   1.085
   30    HG2  HCS   4           HG1      HCS   4   1.321  -7.538  -1.297
   31    HG3  HCS   4           HG2      HCS   4   1.320  -5.789  -1.142
   32    H    HIS   5           H        HIS   5  -1.514  -5.044   1.612
   33    HA   HIS   5           HA       HIS   5  -4.016  -5.705   2.604
   34    HB2  HIS   5           HB2      HIS   5  -3.536  -6.579   4.846
   35    HB3  HIS   5           HB3      HIS   5  -2.927  -7.671   3.611
   36    HD1  HIS   5           HD1      HIS   5  -1.912  -5.860   6.602
   37    HD2  HIS   5           HD2      HIS   5  -0.057  -7.564   3.302
   38    HE1  HIS   5           HE1      HIS   5   0.509  -6.099   7.236
   39    HE2  HIS   5           HE2      HIS   5   1.577  -7.295   5.290
   40    H    VAL   6           H        VAL   6  -2.955  -3.492   1.720
   41    HA   VAL   6           HA       VAL   6  -1.710  -1.953   3.864
   42    HB   VAL   6           HB       VAL   6  -2.063  -0.583   1.315
   43   HG11  VAL   6          HG11      VAL   6  -0.582   0.227   3.055
   44   HG12  VAL   6          HG12      VAL   6   0.334  -0.170   1.600
   45   HG13  VAL   6          HG13      VAL   6   0.353  -1.268   2.980
   46   HG21  VAL   6          HG21      VAL   6  -0.454  -3.133   1.350
   47   HG22  VAL   6          HG22      VAL   6  -0.393  -1.908   0.082
   48   HG23  VAL   6          HG23      VAL   6  -1.884  -2.803   0.372
   49    H    HIS   7           H        HIS   7  -2.326   0.447   3.843
   50    HA   HIS   7           HA       HIS   7  -5.036   0.735   4.533
   51    HB2  HIS   7           HB2      HIS   7  -3.322   2.104   5.557
   52    HB3  HIS   7           HB3      HIS   7  -2.901   2.799   4.002
   53    HD1  HIS   7           HD1      HIS   7  -5.650   2.871   6.588
   54    HD2  HIS   7           HD2      HIS   7  -4.338   4.981   3.261
   55    HE1  HIS   7           HE1      HIS   7  -6.991   4.999   6.567
   56    HE2  HIS   7           HE2      HIS   7  -6.040   6.338   4.662
   57    H    ARG   8           H        ARG   8  -3.368   2.555   1.901
   58    HA   ARG   8           HA       ARG   8  -5.880   3.177   0.686
   59    HB2  ARG   8           HB2      ARG   8  -3.165   3.428  -0.602
   60    HB3  ARG   8           HB3      ARG   8  -4.624   4.305  -1.021
   61    HG2  ARG   8           HG2      ARG   8  -4.488   5.183   1.406
   62    HG3  ARG   8           HG3      ARG   8  -2.805   4.661   1.304
   63    HD2  ARG   8           HD2      ARG   8  -4.210   6.620  -0.491
   64    HD3  ARG   8           HD3      ARG   8  -2.984   6.986   0.714
   65    HE   ARG   8           HE       ARG   8  -1.494   5.536  -0.754
   66   HH11  ARG   8          HH11      ARG   8  -4.135   7.469  -1.984
   67   HH12  ARG   8          HH12      ARG   8  -3.389   7.740  -3.525
   68   HH21  ARG   8          HH21      ARG   8  -0.493   5.917  -2.788
   69   HH22  ARG   8          HH22      ARG   8  -1.342   6.832  -3.994
   70    HA   PRO   9           HA       PRO   9  -5.910  -0.225  -2.207
   71    HB2  PRO   9           HB2      PRO   9  -7.974   0.581  -3.723
   72    HB3  PRO   9           HB3      PRO   9  -8.203   0.069  -2.047
   73    HG2  PRO   9           HG2      PRO   9  -8.264   2.785  -3.215
   74    HG3  PRO   9           HG3      PRO   9  -9.093   2.164  -1.781
   75    HD2  PRO   9           HD2      PRO   9  -6.674   3.675  -1.882
   76    HD3  PRO   9           HD3      PRO   9  -7.444   2.967  -0.452
   77    H    ASP  10           H        ASP  10  -4.940   2.887  -2.824
   78    HA   ASP  10           HA       ASP  10  -4.549   2.571  -5.698
   79    HB2  ASP  10           HB2      ASP  10  -3.924   4.951  -3.940
   80    HB3  ASP  10           HB3      ASP  10  -3.967   4.919  -5.696
   81    H    TRP  11           H        TRP  11  -2.837   2.189  -2.767
   82    HA   TRP  11           HA       TRP  11  -0.297   2.592  -4.179
   83    HB2  TRP  11           HB2      TRP  11   0.696   3.429  -2.195
   84    HB3  TRP  11           HB3      TRP  11  -0.853   4.221  -2.346
   85    HD1  TRP  11           HD1      TRP  11  -1.725   1.005  -0.933
   86    HE1  TRP  11           HE1      TRP  11  -1.893   1.141   1.609
   87    HE3  TRP  11           HE3      TRP  11   0.621   5.473  -0.194
   88    HZ2  TRP  11           HZ2      TRP  11  -1.122   2.897   3.684
   89    HZ3  TRP  11           HZ3      TRP  11   0.858   6.318   2.098
   90    HH2  TRP  11           HH2      TRP  11   0.010   5.044   3.995
   91    HA   PRO  12           HA       PRO  12   0.880  -1.561  -3.199
   92    HB2  PRO  12           HB2      PRO  12   3.528  -1.415  -2.953
   93    HB3  PRO  12           HB3      PRO  12   2.747  -1.024  -4.490
   94    HG2  PRO  12           HG2      PRO  12   3.711   0.832  -2.342
   95    HG3  PRO  12           HG3      PRO  12   3.973   0.930  -4.081
   96    HD2  PRO  12           HD2      PRO  12   2.051   2.341  -2.794
   97    HD3  PRO  12           HD3      PRO  12   1.885   1.810  -4.477
   98    H    CYS  13           H        CYS  13   2.801  -2.631  -1.626
   99    HA   CYS  13           HA       CYS  13   1.866  -1.937   1.049
  100    HB2  CYS  13           HB2      CYS  13   2.716  -4.127   1.720
  101    HB3  CYS  13           HB3      CYS  13   1.599  -4.260   0.366
  102    H    TRP  14           H        TRP  14   4.112  -0.647  -0.629
  103    HA   TRP  14           HA       TRP  14   6.088  -0.612   1.528
  104    HB2  TRP  14           HB2      TRP  14   7.906  -0.622  -0.266
  105    HB3  TRP  14           HB3      TRP  14   7.094  -2.151   0.044
  106    HD1  TRP  14           HD1      TRP  14   5.496  -3.093  -1.843
  107    HE1  TRP  14           HE1      TRP  14   5.315  -2.601  -4.362
  108    HE3  TRP  14           HE3      TRP  14   8.137   1.260  -1.980
  109    HZ2  TRP  14           HZ2      TRP  14   6.182  -0.604  -6.170
  110    HZ3  TRP  14           HZ3      TRP  14   8.406   2.413  -4.125
  111    HH2  TRP  14           HH2      TRP  14   7.446   1.499  -6.182
  112    H    TYR  15           H        TYR  15   5.155   0.851  -1.564
  113    HA   TYR  15           HA       TYR  15   5.439   2.934  -2.424
  114    HB2  TYR  15           HB2      TYR  15   4.240   4.686  -0.941
  115    HB3  TYR  15           HB3      TYR  15   3.327   3.341  -1.612
  116    HD1  TYR  15           HD1      TYR  15   4.533   4.906   1.455
  117    HD2  TYR  15           HD2      TYR  15   2.678   1.464  -0.210
  118    HE1  TYR  15           HE1      TYR  15   3.828   4.205   3.704
  119    HE2  TYR  15           HE2      TYR  15   1.969   0.760   2.004
  120    HH   TYR  15           HH       TYR  15   2.508   1.084   4.326
  121    H    ARG  16           H        ARG  16   7.545   3.380  -2.602
  122    HA   ARG  16           HA       ARG  16   8.744   5.073  -0.534
  123    HB2  ARG  16           HB2      ARG  16  10.083   2.673  -1.789
  124    HB3  ARG  16           HB3      ARG  16  10.846   3.806  -0.685
  125    HG2  ARG  16           HG2      ARG  16   9.484   3.082   1.132
  126    HG3  ARG  16           HG3      ARG  16   8.450   2.147   0.054
  127    HD2  ARG  16           HD2      ARG  16  10.154   0.829   1.385
  128    HD3  ARG  16           HD3      ARG  16  10.124   0.548  -0.359
  129    HE   ARG  16           HE       ARG  16  12.082   2.088  -0.466
  130   HH11  ARG  16          HH11      ARG  16  11.350   0.460   2.556
  131   HH12  ARG  16          HH12      ARG  16  12.995   0.483   3.100
  132   HH21  ARG  16          HH21      ARG  16  14.246   2.092   0.250
  133   HH22  ARG  16          HH22      ARG  16  14.640   1.394   1.789
  Start of MODEL   24
    1    H2   PRO   1           HT1      PRO   1  -2.040  -0.840  -7.048
    2    H3   PRO   1           HT2      PRO   1  -1.696  -0.692  -8.634
    3    HA   PRO   1           HA       PRO   1  -0.098  -2.062  -8.579
    4    HB2  PRO   1           HB2      PRO   1   1.298  -1.782  -6.151
    5    HB3  PRO   1           HB3      PRO   1   1.776  -1.150  -7.733
    6    HG2  PRO   1           HG2      PRO   1   0.386   0.204  -5.499
    7    HG3  PRO   1           HG3      PRO   1   1.491   0.875  -6.708
    8    HD2  PRO   1           HD2      PRO   1  -1.151   1.337  -6.812
    9    HD3  PRO   1           HD3      PRO   1  -0.188   1.134  -8.287
   10    H    SER   2           H        SER   2   0.836  -3.854  -6.948
   11    HA   SER   2           HA       SER   2  -1.377  -5.408  -6.231
   12    HB2  SER   2           HB2      SER   2   1.504  -5.726  -5.382
   13    HB3  SER   2           HB3      SER   2   0.261  -6.974  -5.304
   14    HG   SER   2           HG       SER   2   1.641  -7.057  -7.189
   15    H    ILE   3           H        ILE   3  -2.677  -5.179  -4.581
   16    HA   ILE   3           HA       ILE   3  -1.821  -3.806  -2.168
   17    HB   ILE   3           HB       ILE   3  -4.506  -5.060  -2.745
   18   HG12  ILE   3          HG12      ILE   3  -3.679  -2.172  -3.100
   19   HG13  ILE   3          HG13      ILE   3  -3.900  -3.316  -4.420
   20   HG21  ILE   3          HG21      ILE   3  -3.657  -2.969  -0.747
   21   HG22  ILE   3          HG22      ILE   3  -4.071  -4.646  -0.392
   22   HG23  ILE   3          HG23      ILE   3  -5.305  -3.546  -1.001
   23   HD11  ILE   3          HD11      ILE   3  -6.017  -2.402  -2.494
   24   HD12  ILE   3          HD12      ILE   3  -6.248  -3.574  -3.790
   25   HD13  ILE   3          HD13      ILE   3  -5.851  -1.898  -4.176
   26    H    HCS   4           H        HCS   4  -0.528  -5.099  -1.002
   27    HA   HCS   4           HA       HCS   4  -1.015  -7.890  -0.605
   28    HB2  HCS   4           HB1      HCS   4   0.741  -6.100   1.069
   29    HB3  HCS   4           HB2      HCS   4   0.872  -7.839   0.876
   30    HG2  HCS   4           HG1      HCS   4   1.471  -7.517  -1.474
   31    HG3  HCS   4           HG2      HCS   4   1.378  -5.778  -1.252
   32    H    HIS   5           H        HIS   5  -1.094  -5.081   1.500
   33    HA   HIS   5           HA       HIS   5  -3.524  -5.541   2.705
   34    HB2  HIS   5           HB2      HIS   5  -2.880  -6.314   4.975
   35    HB3  HIS   5           HB3      HIS   5  -2.607  -7.532   3.743
   36    HD1  HIS   5           HD1      HIS   5  -0.929  -5.708   6.437
   37    HD2  HIS   5           HD2      HIS   5   0.185  -7.917   3.105
   38    HE1  HIS   5           HE1      HIS   5   1.471  -6.336   6.820
   39    HE2  HIS   5           HE2      HIS   5   2.183  -7.466   4.687
   40    H    VAL   6           H        VAL   6  -3.400  -3.347   2.140
   41    HA   VAL   6           HA       VAL   6  -1.683  -1.729   3.895
   42    HB   VAL   6           HB       VAL   6  -2.159  -0.468   1.319
   43   HG11  VAL   6          HG11      VAL   6   0.233  -0.014   1.494
   44   HG12  VAL   6          HG12      VAL   6   0.341  -1.096   2.883
   45   HG13  VAL   6          HG13      VAL   6  -0.615   0.384   2.988
   46   HG21  VAL   6          HG21      VAL   6  -2.007  -2.765   0.496
   47   HG22  VAL   6          HG22      VAL   6  -0.476  -2.966   1.343
   48   HG23  VAL   6          HG23      VAL   6  -0.604  -1.808   0.018
   49    H    HIS   7           H        HIS   7  -2.367   0.678   3.704
   50    HA   HIS   7           HA       HIS   7  -5.074   0.914   4.498
   51    HB2  HIS   7           HB2      HIS   7  -3.390   2.353   5.445
   52    HB3  HIS   7           HB3      HIS   7  -2.967   2.971   3.859
   53    HD1  HIS   7           HD1      HIS   7  -5.751   3.145   6.401
   54    HD2  HIS   7           HD2      HIS   7  -4.399   5.134   3.013
   55    HE1  HIS   7           HE1      HIS   7  -7.118   5.247   6.263
   56    HE2  HIS   7           HE2      HIS   7  -6.174   6.512   4.299
   57    H    ARG   8           H        ARG   8  -3.490   2.702   1.807
   58    HA   ARG   8           HA       ARG   8  -5.992   3.306   0.589
   59    HB2  ARG   8           HB2      ARG   8  -3.286   3.394  -0.739
   60    HB3  ARG   8           HB3      ARG   8  -4.727   4.266  -1.215
   61    HG2  ARG   8           HG2      ARG   8  -4.585   5.503   0.961
   62    HG3  ARG   8           HG3      ARG   8  -3.000   4.740   1.179
   63    HD2  ARG   8           HD2      ARG   8  -2.252   5.680  -0.936
   64    HD3  ARG   8           HD3      ARG   8  -3.826   6.441  -1.150
   65    HE   ARG   8           HE       ARG   8  -3.019   7.448   1.208
   66   HH11  ARG   8          HH11      ARG   8  -1.428   7.189  -1.908
   67   HH12  ARG   8          HH12      ARG   8  -0.431   8.584  -1.651
   68   HH21  ARG   8          HH21      ARG   8  -1.697   9.297   1.531
   69   HH22  ARG   8          HH22      ARG   8  -0.580   9.770   0.290
   70    HA   PRO   9           HA       PRO   9  -6.095  -0.238  -2.134
   71    HB2  PRO   9           HB2      PRO   9  -8.125   0.515  -3.710
   72    HB3  PRO   9           HB3      PRO   9  -8.380   0.101  -2.014
   73    HG2  PRO   9           HG2      PRO   9  -8.389   2.753  -3.323
   74    HG3  PRO   9           HG3      PRO   9  -9.233   2.213  -1.861
   75    HD2  PRO   9           HD2      PRO   9  -6.791   3.684  -2.032
   76    HD3  PRO   9           HD3      PRO   9  -7.580   3.071  -0.572
   77    H    ASP  10           H        ASP  10  -4.907   2.724  -2.884
   78    HA   ASP  10           HA       ASP  10  -4.605   2.188  -5.751
   79    HB2  ASP  10           HB2      ASP  10  -4.451   4.757  -4.173
   80    HB3  ASP  10           HB3      ASP  10  -4.005   4.628  -5.869
   81    H    TRP  11           H        TRP  11  -2.888   2.192  -2.825
   82    HA   TRP  11           HA       TRP  11  -0.378   2.617  -4.284
   83    HB2  TRP  11           HB2      TRP  11   0.609   3.529  -2.317
   84    HB3  TRP  11           HB3      TRP  11  -0.964   4.271  -2.490
   85    HD1  TRP  11           HD1      TRP  11  -1.820   1.100  -0.995
   86    HE1  TRP  11           HE1      TRP  11  -1.979   1.297   1.546
   87    HE3  TRP  11           HE3      TRP  11   0.581   5.563  -0.372
   88    HZ2  TRP  11           HZ2      TRP  11  -1.180   3.104   3.578
   89    HZ3  TRP  11           HZ3      TRP  11   0.844   6.455   1.901
   90    HH2  TRP  11           HH2      TRP  11  -0.023   5.245   3.834
   91    HA   PRO  12           HA       PRO  12   0.874  -1.492  -3.277
   92    HB2  PRO  12           HB2      PRO  12   3.526  -1.308  -2.976
   93    HB3  PRO  12           HB3      PRO  12   2.758  -0.976  -4.534
   94    HG2  PRO  12           HG2      PRO  12   3.723   0.947  -2.451
   95    HG3  PRO  12           HG3      PRO  12   3.923   1.015  -4.199
   96    HD2  PRO  12           HD2      PRO  12   2.011   2.414  -2.848
   97    HD3  PRO  12           HD3      PRO  12   1.843   1.904  -4.537
   98    H    CYS  13           H        CYS  13   2.768  -2.567  -1.688
   99    HA   CYS  13           HA       CYS  13   1.750  -1.944   0.976
  100    HB2  CYS  13           HB2      CYS  13   2.610  -4.144   1.595
  101    HB3  CYS  13           HB3      CYS  13   1.572  -4.250   0.177
  102    H    TRP  14           H        TRP  14   4.060  -0.634  -0.661
  103    HA   TRP  14           HA       TRP  14   5.987  -0.631   1.533
  104    HB2  TRP  14           HB2      TRP  14   7.837  -0.683  -0.232
  105    HB3  TRP  14           HB3      TRP  14   6.999  -2.194   0.086
  106    HD1  TRP  14           HD1      TRP  14   5.379  -3.126  -1.856
  107    HE1  TRP  14           HE1      TRP  14   5.294  -2.657  -4.380
  108    HE3  TRP  14           HE3      TRP  14   8.177   1.138  -1.972
  109    HZ2  TRP  14           HZ2      TRP  14   6.265  -0.717  -6.179
  110    HZ3  TRP  14           HZ3      TRP  14   8.534   2.252  -4.127
  111    HH2  TRP  14           HH2      TRP  14   7.594   1.342  -6.188
  112    H    TYR  15           H        TYR  15   5.237   0.835  -1.612
  113    HA   TYR  15           HA       TYR  15   5.669   2.906  -2.456
  114    HB2  TYR  15           HB2      TYR  15   4.335   4.674  -1.158
  115    HB3  TYR  15           HB3      TYR  15   3.477   3.292  -1.809
  116    HD1  TYR  15           HD1      TYR  15   4.378   5.075   1.231
  117    HD2  TYR  15           HD2      TYR  15   2.799   1.453  -0.328
  118    HE1  TYR  15           HE1      TYR  15   3.479   4.515   3.451
  119    HE2  TYR  15           HE2      TYR  15   1.904   0.884   1.863
  120    HH   TYR  15           HH       TYR  15   2.314   1.423   4.233
  121    H    ARG  16           H        ARG  16   7.902   2.993  -2.230
  122    HA   ARG  16           HA       ARG  16   8.860   4.750  -0.072
  123    HB2  ARG  16           HB2      ARG  16  10.274   2.442  -1.413
  124    HB3  ARG  16           HB3      ARG  16  11.016   3.521  -0.240
  125    HG2  ARG  16           HG2      ARG  16   9.769   2.676   1.518
  126    HG3  ARG  16           HG3      ARG  16   8.532   2.010   0.450
  127    HD2  ARG  16           HD2      ARG  16  10.077   0.317  -0.326
  128    HD3  ARG  16           HD3      ARG  16  11.371   1.010   0.651
  129    HE   ARG  16           HE       ARG  16   9.546   0.478   2.521
  130   HH11  ARG  16          HH11      ARG  16  10.699  -1.486  -0.137
  131   HH12  ARG  16          HH12      ARG  16  10.495  -2.983   0.716
  132   HH21  ARG  16          HH21      ARG  16   9.263  -1.495   3.644
  133   HH22  ARG  16          HH22      ARG  16   9.660  -2.991   2.853
  Start of MODEL   25
    1    H2   PRO   1           HT1      PRO   1  -3.082  -1.735  -7.657
    2    H3   PRO   1           HT2      PRO   1  -2.240  -1.086  -8.893
    3    HA   PRO   1           HA       PRO   1  -0.591  -2.259  -8.384
    4    HB2  PRO   1           HB2      PRO   1  -0.151  -1.407  -5.632
    5    HB3  PRO   1           HB3      PRO   1   0.865  -1.162  -7.062
    6    HG2  PRO   1           HG2      PRO   1  -0.524   0.858  -5.916
    7    HG3  PRO   1           HG3      PRO   1  -0.210   0.781  -7.659
    8    HD2  PRO   1           HD2      PRO   1  -2.702   0.047  -6.147
    9    HD3  PRO   1           HD3      PRO   1  -2.532   0.958  -7.660
   10    H    SER   2           H        SER   2   0.350  -3.886  -6.731
   11    HA   SER   2           HA       SER   2  -1.737  -5.698  -6.067
   12    HB2  SER   2           HB2      SER   2   1.208  -5.810  -5.371
   13    HB3  SER   2           HB3      SER   2   0.072  -7.152  -5.259
   14    HG   SER   2           HG       SER   2   0.716  -5.752  -7.650
   15    H    ILE   3           H        ILE   3  -3.065  -5.081  -4.454
   16    HA   ILE   3           HA       ILE   3  -2.129  -3.803  -2.073
   17    HB   ILE   3           HB       ILE   3  -4.792  -5.132  -2.506
   18   HG12  ILE   3          HG12      ILE   3  -4.049  -2.244  -2.972
   19   HG13  ILE   3          HG13      ILE   3  -4.243  -3.434  -4.255
   20   HG21  ILE   3          HG21      ILE   3  -3.953  -2.939  -0.616
   21   HG22  ILE   3          HG22      ILE   3  -4.238  -4.621  -0.177
   22   HG23  ILE   3          HG23      ILE   3  -5.570  -3.628  -0.762
   23   HD11  ILE   3          HD11      ILE   3  -6.390  -2.557  -2.337
   24   HD12  ILE   3          HD12      ILE   3  -6.580  -3.719  -3.653
   25   HD13  ILE   3          HD13      ILE   3  -6.216  -2.027  -4.009
   26    H    HCS   4           H        HCS   4  -0.686  -5.083  -1.019
   27    HA   HCS   4           HA       HCS   4  -1.099  -7.838  -0.492
   28    HB2  HCS   4           HB1      HCS   4   0.645  -5.907   1.046
   29    HB3  HCS   4           HB2      HCS   4   0.767  -7.659   1.063
   30    HG2  HCS   4           HG1      HCS   4   1.317  -7.589  -1.354
   31    HG3  HCS   4           HG2      HCS   4   1.332  -5.835  -1.262
   32    H    HIS   5           H        HIS   5  -1.252  -5.002   1.606
   33    HA   HIS   5           HA       HIS   5  -3.702  -5.536   2.791
   34    HB2  HIS   5           HB2      HIS   5  -3.051  -6.292   5.051
   35    HB3  HIS   5           HB3      HIS   5  -2.677  -7.486   3.821
   36    HD1  HIS   5           HD1      HIS   5  -1.175  -5.626   6.574
   37    HD2  HIS   5           HD2      HIS   5   0.131  -7.677   3.212
   38    HE1  HIS   5           HE1      HIS   5   1.272  -6.064   6.963
   39    HE2  HIS   5           HE2      HIS   5   1.971  -7.506   5.020
   40    H    VAL   6           H        VAL   6  -2.822  -3.370   1.785
   41    HA   VAL   6           HA       VAL   6  -1.408  -1.760   3.782
   42    HB   VAL   6           HB       VAL   6  -1.901  -0.442   1.231
   43   HG11  VAL   6          HG11      VAL   6   0.545  -0.102   1.353
   44   HG12  VAL   6          HG12      VAL   6   0.581  -1.116   2.801
   45   HG13  VAL   6          HG13      VAL   6  -0.311   0.410   2.808
   46   HG21  VAL   6          HG21      VAL   6  -1.791  -2.705   0.332
   47   HG22  VAL   6          HG22      VAL   6  -0.269  -2.975   1.179
   48   HG23  VAL   6          HG23      VAL   6  -0.360  -1.775  -0.112
   49    H    HIS   7           H        HIS   7  -2.086   0.655   3.698
   50    HA   HIS   7           HA       HIS   7  -4.794   0.932   4.459
   51    HB2  HIS   7           HB2      HIS   7  -3.123   2.431   5.373
   52    HB3  HIS   7           HB3      HIS   7  -2.695   2.996   3.765
   53    HD1  HIS   7           HD1      HIS   7  -5.602   3.162   6.204
   54    HD2  HIS   7           HD2      HIS   7  -4.046   5.179   2.920
   55    HE1  HIS   7           HE1      HIS   7  -6.980   5.252   5.984
   56    HE2  HIS   7           HE2      HIS   7  -6.107   6.391   3.913
   57    H    ARG   8           H        ARG   8  -3.187   2.624   1.724
   58    HA   ARG   8           HA       ARG   8  -5.706   3.143   0.471
   59    HB2  ARG   8           HB2      ARG   8  -2.982   3.357  -0.802
   60    HB3  ARG   8           HB3      ARG   8  -4.447   4.169  -1.304
   61    HG2  ARG   8           HG2      ARG   8  -4.389   5.403   0.884
   62    HG3  ARG   8           HG3      ARG   8  -2.776   4.712   1.115
   63    HD2  ARG   8           HD2      ARG   8  -1.970   5.752  -0.873
   64    HD3  ARG   8           HD3      ARG   8  -3.589   6.294  -1.297
   65    HE   ARG   8           HE       ARG   8  -2.912   7.357   1.203
   66   HH11  ARG   8          HH11      ARG   8  -2.001   7.673  -2.167
   67   HH12  ARG   8          HH12      ARG   8  -1.476   9.319  -2.003
   68   HH21  ARG   8          HH21      ARG   8  -2.248   9.538   1.411
   69   HH22  ARG   8          HH22      ARG   8  -1.640  10.378   0.018
   70    HA   PRO   9           HA       PRO   9  -5.500  -0.351  -2.332
   71    HB2  PRO   9           HB2      PRO   9  -7.543   0.304  -3.941
   72    HB3  PRO   9           HB3      PRO   9  -7.809  -0.201  -2.272
   73    HG2  PRO   9           HG2      PRO   9  -8.015   2.485  -3.477
   74    HG3  PRO   9           HG3      PRO   9  -8.822   1.832  -2.042
   75    HD2  PRO   9           HD2      PRO   9  -6.484   3.494  -2.147
   76    HD3  PRO   9           HD3      PRO   9  -7.257   2.806  -0.713
   77    H    ASP  10           H        ASP  10  -4.800   2.846  -3.043
   78    HA   ASP  10           HA       ASP  10  -4.306   2.445  -5.890
   79    HB2  ASP  10           HB2      ASP  10  -4.181   4.924  -4.158
   80    HB3  ASP  10           HB3      ASP  10  -3.855   4.899  -5.884
   81    H    TRP  11           H        TRP  11  -2.617   2.282  -2.960
   82    HA   TRP  11           HA       TRP  11  -0.094   2.734  -4.394
   83    HB2  TRP  11           HB2      TRP  11   0.905   3.578  -2.403
   84    HB3  TRP  11           HB3      TRP  11  -0.645   4.364  -2.558
   85    HD1  TRP  11           HD1      TRP  11  -1.559   1.175  -1.134
   86    HE1  TRP  11           HE1      TRP  11  -1.692   1.319   1.407
   87    HE3  TRP  11           HE3      TRP  11   0.912   5.579  -0.459
   88    HZ2  TRP  11           HZ2      TRP  11  -0.856   3.086   3.468
   89    HZ3  TRP  11           HZ3      TRP  11   1.217   6.433   1.828
   90    HH2  TRP  11           HH2      TRP  11   0.349   5.199   3.748
   91    HA   PRO  12           HA       PRO  12   1.069  -1.425  -3.493
   92    HB2  PRO  12           HB2      PRO  12   3.718  -1.277  -3.171
   93    HB3  PRO  12           HB3      PRO  12   2.962  -0.912  -4.725
   94    HG2  PRO  12           HG2      PRO  12   3.915   0.970  -2.603
   95    HG3  PRO  12           HG3      PRO  12   4.158   1.055  -4.345
   96    HD2  PRO  12           HD2      PRO  12   2.243   2.469  -3.050
   97    HD3  PRO  12           HD3      PRO  12   2.074   1.932  -4.730
   98    H    CYS  13           H        CYS  13   2.853  -2.619  -1.919
   99    HA   CYS  13           HA       CYS  13   1.957  -1.913   0.765
  100    HB2  CYS  13           HB2      CYS  13   2.707  -4.129   1.431
  101    HB3  CYS  13           HB3      CYS  13   1.638  -4.228   0.039
  102    H    TRP  14           H        TRP  14   4.247  -0.745  -0.948
  103    HA   TRP  14           HA       TRP  14   6.225  -0.721   1.205
  104    HB2  TRP  14           HB2      TRP  14   8.021  -0.788  -0.611
  105    HB3  TRP  14           HB3      TRP  14   7.184  -2.292  -0.258
  106    HD1  TRP  14           HD1      TRP  14   5.526  -3.240  -2.110
  107    HE1  TRP  14           HE1      TRP  14   5.336  -2.806  -4.641
  108    HE3  TRP  14           HE3      TRP  14   8.302   1.026  -2.398
  109    HZ2  TRP  14           HZ2      TRP  14   6.229  -0.877  -6.506
  110    HZ3  TRP  14           HZ3      TRP  14   8.571   2.124  -4.577
  111    HH2  TRP  14           HH2      TRP  14   7.557   1.185  -6.590
  112    H    TYR  15           H        TYR  15   5.392   0.715  -1.921
  113    HA   TYR  15           HA       TYR  15   5.667   2.747  -2.825
  114    HB2  TYR  15           HB2      TYR  15   4.667   4.642  -1.322
  115    HB3  TYR  15           HB3      TYR  15   3.646   3.376  -1.976
  116    HD1  TYR  15           HD1      TYR  15   3.001   1.462  -0.501
  117    HD2  TYR  15           HD2      TYR  15   4.792   4.994   1.034
  118    HE1  TYR  15           HE1      TYR  15   2.203   0.886   1.729
  119    HE2  TYR  15           HE2      TYR  15   4.007   4.424   3.287
  120    HH   TYR  15           HH       TYR  15   2.278   3.095   4.342
  121    H    ARG  16           H        ARG  16   6.486   3.768   0.503
  122    HA   ARG  16           HA       ARG  16   8.270   4.915   1.313
  123    HB2  ARG  16           HB2      ARG  16   9.642   3.528  -0.996
  124    HB3  ARG  16           HB3      ARG  16  10.495   4.464   0.224
  125    HG2  ARG  16           HG2      ARG  16  10.385   2.815   1.734
  126    HG3  ARG  16           HG3      ARG  16   8.712   2.424   1.327
  127    HD2  ARG  16           HD2      ARG  16  10.329   0.589   0.850
  128    HD3  ARG  16           HD3      ARG  16   9.407   1.116  -0.557
  129    HE   ARG  16           HE       ARG  16  11.833   2.536  -0.457
  130   HH11  ARG  16          HH11      ARG  16  10.676  -0.730  -1.017
  131   HH12  ARG  16          HH12      ARG  16  11.959  -1.126  -2.114
  132   HH21  ARG  16          HH21      ARG  16  13.508   2.017  -1.891
  133   HH22  ARG  16          HH22      ARG  16  13.572   0.443  -2.614
  Start of MODEL   26
    1    H2   PRO   1           HT1      PRO   1  -3.058  -1.795  -7.537
    2    H3   PRO   1           HT2      PRO   1  -2.234  -0.949  -8.668
    3    HA   PRO   1           HA       PRO   1  -0.613  -2.242  -8.318
    4    HB2  PRO   1           HB2      PRO   1   0.062  -1.571  -5.589
    5    HB3  PRO   1           HB3      PRO   1   0.881  -1.090  -7.082
    6    HG2  PRO   1           HG2      PRO   1  -0.519   0.650  -5.530
    7    HG3  PRO   1           HG3      PRO   1  -0.320   0.837  -7.281
    8    HD2  PRO   1           HD2      PRO   1  -2.652  -0.285  -5.751
    9    HD3  PRO   1           HD3      PRO   1  -2.651   0.862  -7.103
   10    H    SER   2           H        SER   2   0.417  -3.938  -6.752
   11    HA   SER   2           HA       SER   2  -1.586  -5.808  -6.058
   12    HB2  SER   2           HB2      SER   2   1.334  -5.779  -5.272
   13    HB3  SER   2           HB3      SER   2   0.263  -7.179  -5.250
   14    HG   SER   2           HG       SER   2   0.267  -7.252  -7.406
   15    H    ILE   3           H        ILE   3  -2.965  -5.319  -4.454
   16    HA   ILE   3           HA       ILE   3  -2.133  -3.938  -2.076
   17    HB   ILE   3           HB       ILE   3  -4.740  -5.366  -2.579
   18   HG12  ILE   3          HG12      ILE   3  -4.052  -2.455  -3.039
   19   HG13  ILE   3          HG13      ILE   3  -4.231  -3.656  -4.314
   20   HG21  ILE   3          HG21      ILE   3  -5.613  -3.862  -0.854
   21   HG22  ILE   3          HG22      ILE   3  -4.005  -3.171  -0.646
   22   HG23  ILE   3          HG23      ILE   3  -4.297  -4.859  -0.229
   23   HD11  ILE   3          HD11      ILE   3  -6.564  -3.958  -3.725
   24   HD12  ILE   3          HD12      ILE   3  -6.219  -2.266  -4.078
   25   HD13  ILE   3          HD13      ILE   3  -6.397  -2.799  -2.406
   26    H    HCS   4           H        HCS   4  -0.651  -5.166  -1.024
   27    HA   HCS   4           HA       HCS   4  -0.949  -7.933  -0.498
   28    HB2  HCS   4           HB1      HCS   4   0.734  -5.925   1.003
   29    HB3  HCS   4           HB2      HCS   4   0.933  -7.670   1.021
   30    HG2  HCS   4           HG1      HCS   4   1.400  -7.586  -1.410
   31    HG3  HCS   4           HG2      HCS   4   1.323  -5.838  -1.331
   32    H    HIS   5           H        HIS   5  -1.306  -5.088   1.576
   33    HA   HIS   5           HA       HIS   5  -3.783  -5.775   2.610
   34    HB2  HIS   5           HB2      HIS   5  -3.290  -6.463   4.905
   35    HB3  HIS   5           HB3      HIS   5  -2.605  -7.610   3.767
   36    HD1  HIS   5           HD1      HIS   5  -1.732  -5.422   6.575
   37    HD2  HIS   5           HD2      HIS   5   0.257  -7.481   3.564
   38    HE1  HIS   5           HE1      HIS   5   0.666  -5.549   7.320
   39    HE2  HIS   5           HE2      HIS   5   1.813  -6.942   5.562
   40    H    VAL   6           H        VAL   6  -2.684  -3.582   1.557
   41    HA   VAL   6           HA       VAL   6  -1.574  -1.869   3.614
   42    HB   VAL   6           HB       VAL   6  -2.058  -0.496   1.131
   43   HG11  VAL   6          HG11      VAL   6  -0.428   0.227   2.752
   44   HG12  VAL   6          HG12      VAL   6   0.378  -0.174   1.234
   45   HG13  VAL   6          HG13      VAL   6   0.449  -1.297   2.594
   46   HG21  VAL   6          HG21      VAL   6  -1.996  -2.658   0.066
   47   HG22  VAL   6          HG22      VAL   6  -0.522  -3.072   0.934
   48   HG23  VAL   6          HG23      VAL   6  -0.502  -1.786  -0.271
   49    H    HIS   7           H        HIS   7  -2.343   0.424   3.711
   50    HA   HIS   7           HA       HIS   7  -5.081   0.554   4.367
   51    HB2  HIS   7           HB2      HIS   7  -3.498   1.964   5.507
   52    HB3  HIS   7           HB3      HIS   7  -3.011   2.722   4.000
   53    HD1  HIS   7           HD1      HIS   7  -6.011   2.542   6.310
   54    HD2  HIS   7           HD2      HIS   7  -4.388   4.952   3.345
   55    HE1  HIS   7           HE1      HIS   7  -7.412   4.630   6.303
   56    HE2  HIS   7           HE2      HIS   7  -6.314   6.139   4.610
   57    H    ARG   8           H        ARG   8  -3.392   2.455   1.823
   58    HA   ARG   8           HA       ARG   8  -5.902   3.052   0.566
   59    HB2  ARG   8           HB2      ARG   8  -3.166   3.517  -0.618
   60    HB3  ARG   8           HB3      ARG   8  -4.652   4.363  -0.993
   61    HG2  ARG   8           HG2      ARG   8  -4.588   5.051   1.492
   62    HG3  ARG   8           HG3      ARG   8  -2.879   4.630   1.369
   63    HD2  ARG   8           HD2      ARG   8  -4.379   6.635  -0.286
   64    HD3  ARG   8           HD3      ARG   8  -3.177   6.978   0.951
   65    HE   ARG   8           HE       ARG   8  -1.712   5.558  -0.707
   66   HH11  ARG   8          HH11      ARG   8  -4.085   8.016  -1.474
   67   HH12  ARG   8          HH12      ARG   8  -3.238   8.575  -2.879
   68   HH21  ARG   8          HH21      ARG   8  -0.590   6.303  -2.568
   69   HH22  ARG   8          HH22      ARG   8  -1.255   7.605  -3.496
   70    HA   PRO   9           HA       PRO   9  -5.645  -0.273  -2.374
   71    HB2  PRO   9           HB2      PRO   9  -7.661   0.487  -3.996
   72    HB3  PRO   9           HB3      PRO   9  -7.938  -0.124  -2.365
   73    HG2  PRO   9           HG2      PRO   9  -8.194   2.612  -3.404
   74    HG3  PRO   9           HG3      PRO   9  -8.930   1.878  -1.973
   75    HD2  PRO   9           HD2      PRO   9  -6.608   3.567  -2.115
   76    HD3  PRO   9           HD3      PRO   9  -7.358   2.861  -0.676
   77    H    ASP  10           H        ASP  10  -4.799   2.894  -3.009
   78    HA   ASP  10           HA       ASP  10  -4.293   2.452  -5.857
   79    HB2  ASP  10           HB2      ASP  10  -4.362   4.982  -4.206
   80    HB3  ASP  10           HB3      ASP  10  -3.941   4.927  -5.913
   81    H    TRP  11           H        TRP  11  -2.701   2.422  -2.879
   82    HA   TRP  11           HA       TRP  11  -0.152   3.035  -4.200
   83    HB2  TRP  11           HB2      TRP  11   0.720   3.821  -2.135
   84    HB3  TRP  11           HB3      TRP  11  -0.880   4.514  -2.290
   85    HD1  TRP  11           HD1      TRP  11  -1.645   1.201  -1.097
   86    HE1  TRP  11           HE1      TRP  11  -1.852   1.154   1.448
   87    HE3  TRP  11           HE3      TRP  11   0.551   5.672  -0.016
   88    HZ2  TRP  11           HZ2      TRP  11  -1.183   2.787   3.644
   89    HZ3  TRP  11           HZ3      TRP  11   0.717   6.363   2.337
   90    HH2  TRP  11           HH2      TRP  11  -0.119   4.938   4.123
   91    HA   PRO  12           HA       PRO  12   1.225  -1.102  -3.519
   92    HB2  PRO  12           HB2      PRO  12   3.847  -0.840  -3.004
   93    HB3  PRO  12           HB3      PRO  12   3.173  -0.429  -4.585
   94    HG2  PRO  12           HG2      PRO  12   3.886   1.378  -2.307
   95    HG3  PRO  12           HG3      PRO  12   4.215   1.578  -4.023
   96    HD2  PRO  12           HD2      PRO  12   2.152   2.812  -2.768
   97    HD3  PRO  12           HD3      PRO  12   2.104   2.359  -4.479
   98    H    CYS  13           H        CYS  13   2.890  -2.373  -1.932
   99    HA   CYS  13           HA       CYS  13   1.845  -1.877   0.744
  100    HB2  CYS  13           HB2      CYS  13   2.607  -4.143   1.277
  101    HB3  CYS  13           HB3      CYS  13   1.572  -4.132  -0.143
  102    H    TRP  14           H        TRP  14   4.147  -0.439  -0.655
  103    HA   TRP  14           HA       TRP  14   6.010  -0.589   1.582
  104    HB2  TRP  14           HB2      TRP  14   7.939  -0.511  -0.096
  105    HB3  TRP  14           HB3      TRP  14   7.112  -2.050   0.095
  106    HD1  TRP  14           HD1      TRP  14   5.622  -2.890  -1.962
  107    HE1  TRP  14           HE1      TRP  14   5.652  -2.283  -4.464
  108    HE3  TRP  14           HE3      TRP  14   8.298   1.424  -1.684
  109    HZ2  TRP  14           HZ2      TRP  14   6.660  -0.209  -6.096
  110    HZ3  TRP  14           HZ3      TRP  14   8.733   2.683  -3.739
  111    HH2  TRP  14           HH2      TRP  14   7.930   1.881  -5.899
  112    H    TYR  15           H        TYR  15   5.333   1.059  -1.490
  113    HA   TYR  15           HA       TYR  15   5.683   3.187  -2.201
  114    HB2  TYR  15           HB2      TYR  15   4.369   4.850  -0.723
  115    HB3  TYR  15           HB3      TYR  15   3.513   3.533  -1.503
  116    HD1  TYR  15           HD1      TYR  15   4.501   4.973   1.694
  117    HD2  TYR  15           HD2      TYR  15   2.776   1.596  -0.220
  118    HE1  TYR  15           HE1      TYR  15   3.658   4.183   3.858
  119    HE2  TYR  15           HE2      TYR  15   1.934   0.803   1.921
  120    HH   TYR  15           HH       TYR  15   2.361   1.035   4.276
  121    H    ARG  16           H        ARG  16   7.839   3.544  -2.161
  122    HA   ARG  16           HA       ARG  16   8.875   5.144   0.066
  123    HB2  ARG  16           HB2      ARG  16  10.263   2.738  -1.134
  124    HB3  ARG  16           HB3      ARG  16  10.942   3.809   0.084
  125    HG2  ARG  16           HG2      ARG  16   9.420   3.063   1.728
  126    HG3  ARG  16           HG3      ARG  16   8.402   2.279   0.520
  127    HD2  ARG  16           HD2      ARG  16  10.128   0.656   0.059
  128    HD3  ARG  16           HD3      ARG  16  11.214   1.460   1.198
  129    HE   ARG  16           HE       ARG  16   9.296   0.903   2.856
  130   HH11  ARG  16          HH11      ARG  16  10.450  -1.109   0.232
  131   HH12  ARG  16          HH12      ARG  16   9.964  -2.592   0.988
  132   HH21  ARG  16          HH21      ARG  16   8.635  -1.045   3.844
  133   HH22  ARG  16          HH22      ARG  16   8.952  -2.556   3.050
  Start of MODEL   27
    1    H2   PRO   1           HT1      PRO   1  -2.047  -1.571  -8.151
    2    H3   PRO   1           HT2      PRO   1  -0.998  -0.665  -9.014
    3    HA   PRO   1           HA       PRO   1   0.536  -1.847  -8.198
    4    HB2  PRO   1           HB2      PRO   1   0.422  -1.071  -5.423
    5    HB3  PRO   1           HB3      PRO   1   1.556  -0.535  -6.673
    6    HG2  PRO   1           HG2      PRO   1  -0.354   1.082  -5.579
    7    HG3  PRO   1           HG3      PRO   1   0.291   1.293  -7.217
    8    HD2  PRO   1           HD2      PRO   1  -2.265  -0.032  -6.344
    9    HD3  PRO   1           HD3      PRO   1  -1.993   1.102  -7.681
   10    H    SER   2           H        SER   2   1.224  -3.413  -6.340
   11    HA   SER   2           HA       SER   2  -0.882  -5.341  -6.038
   12    HB2  SER   2           HB2      SER   2   1.913  -5.406  -4.874
   13    HB3  SER   2           HB3      SER   2   0.831  -6.778  -5.119
   14    HG   SER   2           HG       SER   2   2.062  -6.859  -6.880
   15    H    ILE   3           H        ILE   3  -2.418  -4.879  -4.580
   16    HA   ILE   3           HA       ILE   3  -1.817  -3.658  -2.032
   17    HB   ILE   3           HB       ILE   3  -4.410  -4.896  -2.953
   18   HG12  ILE   3          HG12      ILE   3  -3.558  -1.998  -3.074
   19   HG13  ILE   3          HG13      ILE   3  -3.577  -3.081  -4.462
   20   HG21  ILE   3          HG21      ILE   3  -3.832  -2.880  -0.787
   21   HG22  ILE   3          HG22      ILE   3  -4.238  -4.576  -0.533
   22   HG23  ILE   3          HG23      ILE   3  -5.428  -3.483  -1.239
   23   HD11  ILE   3          HD11      ILE   3  -5.980  -2.318  -2.820
   24   HD12  ILE   3          HD12      ILE   3  -5.975  -3.329  -4.266
   25   HD13  ILE   3          HD13      ILE   3  -5.538  -1.623  -4.379
   26    H    HCS   4           H        HCS   4  -0.739  -4.904  -0.656
   27    HA   HCS   4           HA       HCS   4  -1.150  -7.758  -0.553
   28    HB2  HCS   4           HB1      HCS   4   0.579  -5.992   1.188
   29    HB3  HCS   4           HB2      HCS   4   0.641  -7.747   1.122
   30    HG2  HCS   4           HG1      HCS   4   1.298  -7.602  -1.244
   31    HG3  HCS   4           HG2      HCS   4   1.286  -5.850  -1.115
   32    H    HIS   5           H        HIS   5  -1.518  -5.045   1.668
   33    HA   HIS   5           HA       HIS   5  -4.027  -5.736   2.638
   34    HB2  HIS   5           HB2      HIS   5  -3.582  -6.564   4.881
   35    HB3  HIS   5           HB3      HIS   5  -2.839  -7.639   3.706
   36    HD1  HIS   5           HD1      HIS   5  -2.100  -5.617   6.664
   37    HD2  HIS   5           HD2      HIS   5   0.023  -7.397   3.568
   38    HE1  HIS   5           HE1      HIS   5   0.285  -5.707   7.450
   39    HE2  HIS   5           HE2      HIS   5   1.571  -6.715   5.532
   40    H    VAL   6           H        VAL   6  -2.917  -3.545   1.677
   41    HA   VAL   6           HA       VAL   6  -1.755  -1.933   3.806
   42    HB   VAL   6           HB       VAL   6  -2.103  -0.599   1.240
   43   HG11  VAL   6          HG11      VAL   6   0.278  -1.241   2.979
   44   HG12  VAL   6          HG12      VAL   6  -0.656   0.259   2.969
   45   HG13  VAL   6          HG13      VAL   6   0.310  -0.188   1.565
   46   HG21  VAL   6          HG21      VAL   6  -1.886  -2.833   0.330
   47   HG22  VAL   6          HG22      VAL   6  -0.459  -3.125   1.325
   48   HG23  VAL   6          HG23      VAL   6  -0.411  -1.917   0.039
   49    H    HIS   7           H        HIS   7  -2.404   0.414   3.817
   50    HA   HIS   7           HA       HIS   7  -5.095   0.697   4.527
   51    HB2  HIS   7           HB2      HIS   7  -3.392   2.115   5.483
   52    HB3  HIS   7           HB3      HIS   7  -2.977   2.750   3.899
   53    HD1  HIS   7           HD1      HIS   7  -5.722   2.912   6.484
   54    HD2  HIS   7           HD2      HIS   7  -4.435   4.908   3.061
   55    HE1  HIS   7           HE1      HIS   7  -7.112   5.008   6.363
   56    HE2  HIS   7           HE2      HIS   7  -6.421   6.126   4.211
   57    H    ARG   8           H        ARG   8  -3.442   2.310   1.769
   58    HA   ARG   8           HA       ARG   8  -5.957   3.067   0.630
   59    HB2  ARG   8           HB2      ARG   8  -3.235   3.139  -0.647
   60    HB3  ARG   8           HB3      ARG   8  -4.654   3.995  -1.189
   61    HG2  ARG   8           HG2      ARG   8  -4.591   5.265   0.974
   62    HG3  ARG   8           HG3      ARG   8  -3.004   4.521   1.250
   63    HD2  ARG   8           HD2      ARG   8  -2.188   5.398  -0.836
   64    HD3  ARG   8           HD3      ARG   8  -3.773   6.079  -1.190
   65    HE   ARG   8           HE       ARG   8  -2.860   7.127   1.241
   66   HH11  ARG   8          HH11      ARG   8  -2.122   7.230  -2.182
   67   HH12  ARG   8          HH12      ARG   8  -1.425   8.822  -2.110
   68   HH21  ARG   8          HH21      ARG   8  -1.924   9.221   1.349
   69   HH22  ARG   8          HH22      ARG   8  -1.304   9.950  -0.101
   70    HA   PRO   9           HA       PRO   9  -6.057  -0.225  -2.469
   71    HB2  PRO   9           HB2      PRO   9  -8.076   0.689  -3.955
   72    HB3  PRO   9           HB3      PRO   9  -8.361   0.128  -2.302
   73    HG2  PRO   9           HG2      PRO   9  -8.250   2.901  -3.362
   74    HG3  PRO   9           HG3      PRO   9  -9.214   2.242  -2.032
   75    HD2  PRO   9           HD2      PRO   9  -6.759   3.658  -1.835
   76    HD3  PRO   9           HD3      PRO   9  -7.624   2.838  -0.527
   77    H    ASP  10           H        ASP  10  -4.811   2.728  -2.668
   78    HA   ASP  10           HA       ASP  10  -4.558   2.928  -5.580
   79    HB2  ASP  10           HB2      ASP  10  -5.283   4.998  -5.004
   80    HB3  ASP  10           HB3      ASP  10  -4.768   4.822  -3.336
   81    H    TRP  11           H        TRP  11  -2.801   2.170  -2.758
   82    HA   TRP  11           HA       TRP  11  -0.271   2.635  -4.169
   83    HB2  TRP  11           HB2      TRP  11   0.733   3.443  -2.171
   84    HB3  TRP  11           HB3      TRP  11  -0.809   4.252  -2.333
   85    HD1  TRP  11           HD1      TRP  11  -1.717   1.031  -0.935
   86    HE1  TRP  11           HE1      TRP  11  -1.908   1.168   1.604
   87    HE3  TRP  11           HE3      TRP  11   0.659   5.474  -0.184
   88    HZ2  TRP  11           HZ2      TRP  11  -1.160   2.927   3.677
   89    HZ3  TRP  11           HZ3      TRP  11   0.886   6.316   2.116
   90    HH2  TRP  11           HH2      TRP  11  -0.017   5.058   3.996
   91    HA   PRO  12           HA       PRO  12   0.857  -1.556  -3.223
   92    HB2  PRO  12           HB2      PRO  12   3.519  -1.432  -2.943
   93    HB3  PRO  12           HB3      PRO  12   2.747  -1.091  -4.494
   94    HG2  PRO  12           HG2      PRO  12   3.762   0.825  -2.425
   95    HG3  PRO  12           HG3      PRO  12   3.955   0.878  -4.177
   96    HD2  PRO  12           HD2      PRO  12   2.085   2.328  -2.827
   97    HD3  PRO  12           HD3      PRO  12   1.882   1.804  -4.509
   98    H    CYS  13           H        CYS  13   2.830  -2.626  -1.652
   99    HA   CYS  13           HA       CYS  13   1.885  -1.947   1.030
  100    HB2  CYS  13           HB2      CYS  13   2.752  -4.151   1.698
  101    HB3  CYS  13           HB3      CYS  13   1.581  -4.271   0.389
  102    H    TRP  14           H        TRP  14   4.126  -0.653  -0.641
  103    HA   TRP  14           HA       TRP  14   6.105  -0.633   1.514
  104    HB2  TRP  14           HB2      TRP  14   7.936  -0.691  -0.258
  105    HB3  TRP  14           HB3      TRP  14   7.096  -2.205   0.053
  106    HD1  TRP  14           HD1      TRP  14   5.497  -3.135  -1.850
  107    HE1  TRP  14           HE1      TRP  14   5.356  -2.654  -4.378
  108    HE3  TRP  14           HE3      TRP  14   8.219   1.168  -1.986
  109    HZ2  TRP  14           HZ2      TRP  14   6.273  -0.672  -6.185
  110    HZ3  TRP  14           HZ3      TRP  14   8.526   2.316  -4.124
  111    HH2  TRP  14           HH2      TRP  14   7.578   1.409  -6.191
  112    H    TYR  15           H        TYR  15   5.239   0.791  -1.610
  113    HA   TYR  15           HA       TYR  15   5.498   2.867  -2.484
  114    HB2  TYR  15           HB2      TYR  15   4.297   4.619  -0.979
  115    HB3  TYR  15           HB3      TYR  15   3.391   3.299  -1.697
  116    HD1  TYR  15           HD1      TYR  15   4.389   4.878   1.399
  117    HD2  TYR  15           HD2      TYR  15   2.823   1.314  -0.303
  118    HE1  TYR  15           HE1      TYR  15   3.617   4.155   3.624
  119    HE2  TYR  15           HE2      TYR  15   2.057   0.583   1.890
  120    HH   TYR  15           HH       TYR  15   2.620   0.996   4.275
  121    H    ARG  16           H        ARG  16   7.658   3.248  -2.620
  122    HA   ARG  16           HA       ARG  16   8.725   5.211  -0.746
  123    HB2  ARG  16           HB2      ARG  16  10.074   2.593  -1.423
  124    HB3  ARG  16           HB3      ARG  16  10.888   3.946  -0.651
  125    HG2  ARG  16           HG2      ARG  16   9.855   3.619   1.343
  126    HG3  ARG  16           HG3      ARG  16   8.393   2.969   0.598
  127    HD2  ARG  16           HD2      ARG  16   9.557   0.892   0.103
  128    HD3  ARG  16           HD3      ARG  16  11.033   1.534   0.829
  129    HE   ARG  16           HE       ARG  16   9.188   1.763   2.813
  130   HH11  ARG  16          HH11      ARG  16  10.284  -0.870   0.795
  131   HH12  ARG  16          HH12      ARG  16   9.962  -2.092   1.984
  132   HH21  ARG  16          HH21      ARG  16   8.738   0.161   4.384
  133   HH22  ARG  16          HH22      ARG  16   9.078  -1.504   4.028
  Start of MODEL   28
    1    H2   PRO   1           HT1      PRO   1  -2.059  -0.782  -6.902
    2    H3   PRO   1           HT2      PRO   1  -1.828  -0.886  -8.516
    3    HA   PRO   1           HA       PRO   1  -0.132  -2.187  -8.390
    4    HB2  PRO   1           HB2      PRO   1   1.034  -1.724  -5.818
    5    HB3  PRO   1           HB3      PRO   1   1.734  -1.395  -7.408
    6    HG2  PRO   1           HG2      PRO   1   0.295   0.423  -5.575
    7    HG3  PRO   1           HG3      PRO   1   1.490   0.798  -6.831
    8    HD2  PRO   1           HD2      PRO   1  -1.096   1.393  -7.168
    9    HD3  PRO   1           HD3      PRO   1  -0.109   0.815  -8.525
   10    H    SER   2           H        SER   2   0.542  -4.071  -6.905
   11    HA   SER   2           HA       SER   2  -1.749  -5.457  -6.161
   12    HB2  SER   2           HB2      SER   2   1.111  -5.958  -5.319
   13    HB3  SER   2           HB3      SER   2  -0.205  -7.123  -5.206
   14    HG   SER   2           HG       SER   2  -0.407  -6.645  -7.596
   15    H    ILE   3           H        ILE   3  -2.991  -5.401  -4.433
   16    HA   ILE   3           HA       ILE   3  -2.177  -3.844  -2.115
   17    HB   ILE   3           HB       ILE   3  -4.814  -5.234  -2.585
   18   HG12  ILE   3          HG12      ILE   3  -4.084  -2.354  -3.143
   19   HG13  ILE   3          HG13      ILE   3  -4.303  -3.586  -4.378
   20   HG21  ILE   3          HG21      ILE   3  -5.676  -3.707  -0.904
   21   HG22  ILE   3          HG22      ILE   3  -4.087  -2.964  -0.740
   22   HG23  ILE   3          HG23      ILE   3  -4.330  -4.641  -0.251
   23   HD11  ILE   3          HD11      ILE   3  -6.643  -3.818  -3.725
   24   HD12  ILE   3          HD12      ILE   3  -6.255  -2.162  -4.194
   25   HD13  ILE   3          HD13      ILE   3  -6.419  -2.581  -2.488
   26    H    HCS   4           H        HCS   4  -0.715  -5.107  -1.044
   27    HA   HCS   4           HA       HCS   4  -1.083  -7.849  -0.488
   28    HB2  HCS   4           HB1      HCS   4   0.586  -5.856   1.061
   29    HB3  HCS   4           HB2      HCS   4   0.747  -7.607   1.107
   30    HG2  HCS   4           HG1      HCS   4   1.308  -7.555  -1.310
   31    HG3  HCS   4           HG2      HCS   4   1.291  -5.802  -1.235
   32    H    HIS   5           H        HIS   5  -1.442  -4.996   1.565
   33    HA   HIS   5           HA       HIS   5  -3.915  -5.688   2.641
   34    HB2  HIS   5           HB2      HIS   5  -3.326  -6.325   4.939
   35    HB3  HIS   5           HB3      HIS   5  -2.714  -7.497   3.786
   36    HD1  HIS   5           HD1      HIS   5  -1.640  -5.202   6.469
   37    HD2  HIS   5           HD2      HIS   5   0.106  -7.479   3.469
   38    HE1  HIS   5           HE1      HIS   5   0.804  -5.330   7.047
   39    HE2  HIS   5           HE2      HIS   5   1.765  -6.949   5.370
   40    H    VAL   6           H        VAL   6  -2.762  -3.494   1.550
   41    HA   VAL   6           HA       VAL   6  -1.633  -1.821   3.628
   42    HB   VAL   6           HB       VAL   6  -2.034  -0.457   1.112
   43   HG11  VAL   6          HG11      VAL   6  -0.465   0.244   2.828
   44   HG12  VAL   6          HG12      VAL   6   0.387  -0.117   1.326
   45   HG13  VAL   6          HG13      VAL   6   0.423  -1.270   2.659
   46   HG21  VAL   6          HG21      VAL   6  -0.543  -3.076   1.035
   47   HG22  VAL   6          HG22      VAL   6  -0.432  -1.820  -0.200
   48   HG23  VAL   6          HG23      VAL   6  -1.966  -2.638   0.093
   49    H    HIS   7           H        HIS   7  -2.317   0.435   3.808
   50    HA   HIS   7           HA       HIS   7  -4.998   0.701   4.516
   51    HB2  HIS   7           HB2      HIS   7  -3.303   2.078   5.534
   52    HB3  HIS   7           HB3      HIS   7  -2.883   2.780   3.982
   53    HD1  HIS   7           HD1      HIS   7  -5.611   2.874   6.592
   54    HD2  HIS   7           HD2      HIS   7  -4.327   4.965   3.232
   55    HE1  HIS   7           HE1      HIS   7  -6.959   5.000   6.563
   56    HE2  HIS   7           HE2      HIS   7  -6.203   6.235   4.498
   57    H    ARG   8           H        ARG   8  -3.358   2.357   1.768
   58    HA   ARG   8           HA       ARG   8  -5.934   3.002   0.622
   59    HB2  ARG   8           HB2      ARG   8  -3.209   3.420  -0.604
   60    HB3  ARG   8           HB3      ARG   8  -4.706   4.208  -1.061
   61    HG2  ARG   8           HG2      ARG   8  -4.724   5.190   1.283
   62    HG3  ARG   8           HG3      ARG   8  -3.046   4.633   1.386
   63    HD2  ARG   8           HD2      ARG   8  -2.390   5.989  -0.426
   64    HD3  ARG   8           HD3      ARG   8  -4.059   6.349  -0.843
   65    HE   ARG   8           HE       ARG   8  -2.984   7.244   1.735
   66   HH11  ARG   8          HH11      ARG   8  -4.241   8.014  -1.444
   67   HH12  ARG   8          HH12      ARG   8  -4.515   9.684  -1.065
   68   HH21  ARG   8          HH21      ARG   8  -3.322   9.463   2.215
   69   HH22  ARG   8          HH22      ARG   8  -3.989  10.507   0.999
   70    HA   PRO   9           HA       PRO   9  -5.790  -0.438  -2.204
   71    HB2  PRO   9           HB2      PRO   9  -7.862   0.209  -3.762
   72    HB3  PRO   9           HB3      PRO   9  -8.098  -0.188  -2.056
   73    HG2  PRO   9           HG2      PRO   9  -8.138   2.466  -3.404
   74    HG3  PRO   9           HG3      PRO   9  -9.064   1.901  -2.005
   75    HD2  PRO   9           HD2      PRO   9  -6.700   3.459  -1.968
   76    HD3  PRO   9           HD3      PRO   9  -7.497   2.707  -0.577
   77    H    ASP  10           H        ASP  10  -4.774   2.598  -2.895
   78    HA   ASP  10           HA       ASP  10  -4.446   2.168  -5.775
   79    HB2  ASP  10           HB2      ASP  10  -5.598   4.228  -5.185
   80    HB3  ASP  10           HB3      ASP  10  -4.282   4.690  -4.114
   81    H    TRP  11           H        TRP  11  -2.746   2.441  -2.796
   82    HA   TRP  11           HA       TRP  11  -0.218   2.872  -4.199
   83    HB2  TRP  11           HB2      TRP  11   0.680   3.757  -2.168
   84    HB3  TRP  11           HB3      TRP  11  -0.925   4.431  -2.345
   85    HD1  TRP  11           HD1      TRP  11  -1.769   1.230  -1.038
   86    HE1  TRP  11           HE1      TRP  11  -1.911   1.243   1.513
   87    HE3  TRP  11           HE3      TRP  11   0.681   5.605  -0.109
   88    HZ2  TRP  11           HZ2      TRP  11  -1.102   2.890   3.656
   89    HZ3  TRP  11           HZ3      TRP  11   0.952   6.334   2.223
   90    HH2  TRP  11           HH2      TRP  11   0.081   4.994   4.063
   91    HA   PRO  12           HA       PRO  12   1.174  -1.224  -3.429
   92    HB2  PRO  12           HB2      PRO  12   3.802  -0.947  -2.996
   93    HB3  PRO  12           HB3      PRO  12   3.079  -0.553  -4.558
   94    HG2  PRO  12           HG2      PRO  12   3.844   1.282  -2.321
   95    HG3  PRO  12           HG3      PRO  12   4.143   1.462  -4.046
   96    HD2  PRO  12           HD2      PRO  12   2.109   2.709  -2.768
   97    HD3  PRO  12           HD3      PRO  12   2.029   2.230  -4.471
   98    H    CYS  13           H        CYS  13   2.856  -2.472  -1.850
   99    HA   CYS  13           HA       CYS  13   1.911  -1.856   0.837
  100    HB2  CYS  13           HB2      CYS  13   2.615  -4.097   1.439
  101    HB3  CYS  13           HB3      CYS  13   1.575  -4.141   0.020
  102    H    TRP  14           H        TRP  14   4.190  -0.531  -0.685
  103    HA   TRP  14           HA       TRP  14   6.135  -0.649   1.491
  104    HB2  TRP  14           HB2      TRP  14   7.979  -0.565  -0.282
  105    HB3  TRP  14           HB3      TRP  14   7.171  -2.110  -0.040
  106    HD1  TRP  14           HD1      TRP  14   5.589  -2.982  -1.990
  107    HE1  TRP  14           HE1      TRP  14   5.468  -2.411  -4.492
  108    HE3  TRP  14           HE3      TRP  14   8.245   1.369  -1.937
  109    HZ2  TRP  14           HZ2      TRP  14   6.367  -0.359  -6.218
  110    HZ3  TRP  14           HZ3      TRP  14   8.555   2.588  -4.042
  111    HH2  TRP  14           HH2      TRP  14   7.633   1.742  -6.140
  112    H    TYR  15           H        TYR  15   5.323   0.957  -1.557
  113    HA   TYR  15           HA       TYR  15   5.657   3.068  -2.310
  114    HB2  TYR  15           HB2      TYR  15   4.395   4.770  -0.834
  115    HB3  TYR  15           HB3      TYR  15   3.506   3.446  -1.560
  116    HD1  TYR  15           HD1      TYR  15   4.590   4.963   1.566
  117    HD2  TYR  15           HD2      TYR  15   2.799   1.543  -0.210
  118    HE1  TYR  15           HE1      TYR  15   3.783   4.252   3.773
  119    HE2  TYR  15           HE2      TYR  15   1.990   0.821   1.974
  120    HH   TYR  15           HH       TYR  15   2.429   1.134   4.323
  121    H    ARG  16           H        ARG  16   7.805   3.412  -2.345
  122    HA   ARG  16           HA       ARG  16   8.940   4.882  -0.059
  123    HB2  ARG  16           HB2      ARG  16  10.244   2.779  -1.798
  124    HB3  ARG  16           HB3      ARG  16  11.127   3.802  -0.675
  125    HG2  ARG  16           HG2      ARG  16  10.135   2.815   1.195
  126    HG3  ARG  16           HG3      ARG  16   8.841   2.086   0.242
  127    HD2  ARG  16           HD2      ARG  16  10.590   0.474   0.993
  128    HD3  ARG  16           HD3      ARG  16  10.367   0.531  -0.758
  129    HE   ARG  16           HE       ARG  16  12.475   2.222   0.319
  130   HH11  ARG  16          HH11      ARG  16  11.640  -0.857  -1.117
  131   HH12  ARG  16          HH12      ARG  16  13.243  -1.158  -1.702
  132   HH21  ARG  16          HH21      ARG  16  14.597   1.815  -0.447
  133   HH22  ARG  16          HH22      ARG  16  14.918   0.348  -1.315
  Start of MODEL   29
    1    H2   PRO   1           HT1      PRO   1  -1.525  -2.662  -8.814
    2    H3   PRO   1           HT2      PRO   1  -0.536  -1.704  -9.698
    3    HA   PRO   1           HA       PRO   1   0.972  -1.991  -8.276
    4    HB2  PRO   1           HB2      PRO   1  -0.323  -0.959  -5.881
    5    HB3  PRO   1           HB3      PRO   1   1.038  -0.290  -6.795
    6    HG2  PRO   1           HG2      PRO   1  -1.420   0.847  -6.817
    7    HG3  PRO   1           HG3      PRO   1  -0.320   0.910  -8.208
    8    HD2  PRO   1           HD2      PRO   1  -2.661  -0.907  -7.721
    9    HD3  PRO   1           HD3      PRO   1  -2.210  -0.036  -9.200
   10    H    SER   2           H        SER   2   1.657  -3.132  -6.282
   11    HA   SER   2           HA       SER   2   0.180  -5.553  -5.963
   12    HB2  SER   2           HB2      SER   2   2.637  -4.497  -4.549
   13    HB3  SER   2           HB3      SER   2   1.998  -6.130  -4.349
   14    HG   SER   2           HG       SER   2   2.529  -6.612  -6.404
   15    H    ILE   3           H        ILE   3  -1.782  -5.129  -5.049
   16    HA   ILE   3           HA       ILE   3  -1.934  -3.588  -2.596
   17    HB   ILE   3           HB       ILE   3  -4.176  -5.102  -3.930
   18   HG12  ILE   3          HG12      ILE   3  -3.420  -2.201  -4.353
   19   HG13  ILE   3          HG13      ILE   3  -3.053  -3.488  -5.499
   20   HG21  ILE   3          HG21      ILE   3  -5.588  -3.486  -2.754
   21   HG22  ILE   3          HG22      ILE   3  -4.151  -2.730  -2.069
   22   HG23  ILE   3          HG23      ILE   3  -4.570  -4.385  -1.629
   23   HD11  ILE   3          HD11      ILE   3  -5.797  -2.611  -4.640
   24   HD12  ILE   3          HD12      ILE   3  -5.439  -3.913  -5.777
   25   HD13  ILE   3          HD13      ILE   3  -5.015  -2.247  -6.176
   26    H    HCS   4           H        HCS   4  -0.878  -4.789  -1.093
   27    HA   HCS   4           HA       HCS   4  -1.485  -7.576  -0.714
   28    HB2  HCS   4           HB1      HCS   4   0.129  -5.774   1.091
   29    HB3  HCS   4           HB2      HCS   4   0.142  -7.533   1.065
   30    HG2  HCS   4           HG1      HCS   4   1.021  -7.447  -1.246
   31    HG3  HCS   4           HG2      HCS   4   1.099  -5.700  -1.119
   32    H    HIS   5           H        HIS   5  -2.047  -4.570   1.015
   33    HA   HIS   5           HA       HIS   5  -4.654  -5.047   1.678
   34    HB2  HIS   5           HB2      HIS   5  -4.588  -5.481   4.121
   35    HB3  HIS   5           HB3      HIS   5  -4.000  -6.829   3.171
   36    HD1  HIS   5           HD1      HIS   5  -3.129  -4.748   6.007
   37    HD2  HIS   5           HD2      HIS   5  -1.102  -7.051   3.213
   38    HE1  HIS   5           HE1      HIS   5  -0.880  -5.209   7.024
   39    HE2  HIS   5           HE2      HIS   5   0.216  -6.817   5.427
   40    H    VAL   6           H        VAL   6  -1.988  -3.860   3.614
   41    HA   VAL   6           HA       VAL   6  -1.369  -1.811   4.358
   42    HB   VAL   6           HB       VAL   6  -2.180  -0.441   1.888
   43   HG11  VAL   6          HG11      VAL   6  -0.539   0.443   3.494
   44   HG12  VAL   6          HG12      VAL   6   0.118   0.257   1.872
   45   HG13  VAL   6          HG13      VAL   6   0.524  -0.916   3.127
   46   HG21  VAL   6          HG21      VAL   6  -1.903  -2.702   0.989
   47   HG22  VAL   6          HG22      VAL   6  -0.295  -2.791   1.704
   48   HG23  VAL   6          HG23      VAL   6  -0.630  -1.619   0.428
   49    H    HIS   7           H        HIS   7  -2.205   0.767   3.627
   50    HA   HIS   7           HA       HIS   7  -4.751   1.026   4.998
   51    HB2  HIS   7           HB2      HIS   7  -3.016   2.494   5.754
   52    HB3  HIS   7           HB3      HIS   7  -2.647   2.996   4.114
   53    HD1  HIS   7           HD1      HIS   7  -5.203   3.488   6.826
   54    HD2  HIS   7           HD2      HIS   7  -4.124   5.103   3.151
   55    HE1  HIS   7           HE1      HIS   7  -6.525   5.613   6.607
   56    HE2  HIS   7           HE2      HIS   7  -5.649   6.694   4.507
   57    H    ARG   8           H        ARG   8  -3.306   2.335   1.998
   58    HA   ARG   8           HA       ARG   8  -5.928   2.921   0.936
   59    HB2  ARG   8           HB2      ARG   8  -3.234   3.152  -0.390
   60    HB3  ARG   8           HB3      ARG   8  -4.737   3.821  -0.979
   61    HG2  ARG   8           HG2      ARG   8  -4.783   5.206   1.152
   62    HG3  ARG   8           HG3      ARG   8  -3.093   4.696   1.360
   63    HD2  ARG   8           HD2      ARG   8  -2.392   5.768  -0.547
   64    HD3  ARG   8           HD3      ARG   8  -4.005   5.802  -1.244
   65    HE   ARG   8           HE       ARG   8  -3.474   7.443   1.115
   66   HH11  ARG   8          HH11      ARG   8  -4.026   7.179  -2.330
   67   HH12  ARG   8          HH12      ARG   8  -4.416   8.862  -2.531
   68   HH21  ARG   8          HH21      ARG   8  -3.949   9.670   0.862
   69   HH22  ARG   8          HH22      ARG   8  -4.347  10.289  -0.708
   70    HA   PRO   9           HA       PRO   9  -5.812  -0.626  -1.849
   71    HB2  PRO   9           HB2      PRO   9  -7.961  -0.042  -3.312
   72    HB3  PRO   9           HB3      PRO   9  -8.123  -0.443  -1.600
   73    HG2  PRO   9           HG2      PRO   9  -8.326   2.191  -2.949
   74    HG3  PRO   9           HG3      PRO   9  -9.128   1.612  -1.480
   75    HD2  PRO   9           HD2      PRO   9  -6.781   3.226  -1.661
   76    HD3  PRO   9           HD3      PRO   9  -7.515   2.552  -0.197
   77    H    ASP  10           H        ASP  10  -5.126   2.570  -2.644
   78    HA   ASP  10           HA       ASP  10  -4.751   2.036  -5.493
   79    HB2  ASP  10           HB2      ASP  10  -4.480   4.481  -5.696
   80    HB3  ASP  10           HB3      ASP  10  -6.020   4.045  -4.971
   81    H    TRP  11           H        TRP  11  -2.964   2.195  -2.598
   82    HA   TRP  11           HA       TRP  11  -0.510   2.627  -4.146
   83    HB2  TRP  11           HB2      TRP  11   0.534   3.593  -2.242
   84    HB3  TRP  11           HB3      TRP  11  -1.056   4.303  -2.334
   85    HD1  TRP  11           HD1      TRP  11  -1.771   1.139  -0.775
   86    HE1  TRP  11           HE1      TRP  11  -1.754   1.340   1.773
   87    HE3  TRP  11           HE3      TRP  11   0.594   5.636  -0.330
   88    HZ2  TRP  11           HZ2      TRP  11  -0.859   3.167   3.741
   89    HZ3  TRP  11           HZ3      TRP  11   0.993   6.545   1.926
   90    HH2  TRP  11           HH2      TRP  11   0.279   5.329   3.915
   91    HA   PRO  12           HA       PRO  12   0.796  -1.474  -3.195
   92    HB2  PRO  12           HB2      PRO  12   3.460  -1.278  -2.932
   93    HB3  PRO  12           HB3      PRO  12   2.655  -0.976  -4.477
   94    HG2  PRO  12           HG2      PRO  12   3.636   0.988  -2.440
   95    HG3  PRO  12           HG3      PRO  12   3.815   1.026  -4.190
   96    HD2  PRO  12           HD2      PRO  12   1.918   2.452  -2.872
   97    HD3  PRO  12           HD3      PRO  12   1.700   1.856  -4.528
   98    H    CYS  13           H        CYS  13   2.652  -2.613  -1.644
   99    HA   CYS  13           HA       CYS  13   1.852  -1.839   1.051
  100    HB2  CYS  13           HB2      CYS  13   2.535  -4.065   1.738
  101    HB3  CYS  13           HB3      CYS  13   1.411  -4.168   0.389
  102    H    TRP  14           H        TRP  14   4.040  -0.612  -0.654
  103    HA   TRP  14           HA       TRP  14   6.075  -0.646   1.434
  104    HB2  TRP  14           HB2      TRP  14   7.868  -0.685  -0.380
  105    HB3  TRP  14           HB3      TRP  14   7.046  -2.207  -0.046
  106    HD1  TRP  14           HD1      TRP  14   5.402  -3.138  -1.928
  107    HE1  TRP  14           HE1      TRP  14   5.239  -2.672  -4.454
  108    HE3  TRP  14           HE3      TRP  14   8.102   1.177  -2.114
  109    HZ2  TRP  14           HZ2      TRP  14   6.113  -0.703  -6.276
  110    HZ3  TRP  14           HZ3      TRP  14   8.369   2.311  -4.271
  111    HH2  TRP  14           HH2      TRP  14   7.392   1.390  -6.310
  112    H    TYR  15           H        TYR  15   5.159   0.800  -1.676
  113    HA   TYR  15           HA       TYR  15   5.459   2.883  -2.542
  114    HB2  TYR  15           HB2      TYR  15   4.255   4.632  -1.054
  115    HB3  TYR  15           HB3      TYR  15   3.342   3.282  -1.708
  116    HD1  TYR  15           HD1      TYR  15   4.627   4.828   1.346
  117    HD2  TYR  15           HD2      TYR  15   2.664   1.437  -0.288
  118    HE1  TYR  15           HE1      TYR  15   3.945   4.147   3.605
  119    HE2  TYR  15           HE2      TYR  15   1.982   0.739   1.947
  120    HH   TYR  15           HH       TYR  15   2.265   2.794   4.693
  121    H    ARG  16           H        ARG  16   7.651   3.183  -2.629
  122    HA   ARG  16           HA       ARG  16   8.814   4.855  -0.511
  123    HB2  ARG  16           HB2      ARG  16  10.145   2.510  -1.874
  124    HB3  ARG  16           HB3      ARG  16  10.904   3.574  -0.699
  125    HG2  ARG  16           HG2      ARG  16   9.504   2.779   1.049
  126    HG3  ARG  16           HG3      ARG  16   8.467   1.926  -0.097
  127    HD2  ARG  16           HD2      ARG  16  10.195   0.368  -0.623
  128    HD3  ARG  16           HD3      ARG  16  11.380   1.286   0.315
  129    HE   ARG  16           HE       ARG  16   9.094   0.316   1.809
  130   HH11  ARG  16          HH11      ARG  16  12.366  -0.325   0.745
  131   HH12  ARG  16          HH12      ARG  16  12.701  -1.435   2.032
  132   HH21  ARG  16          HH21      ARG  16   9.526  -1.167   3.492
  133   HH22  ARG  16          HH22      ARG  16  11.081  -1.932   3.578
  Start of MODEL   30
    1    H2   PRO   1           HT1      PRO   1  -2.132  -2.383  -8.327
    2    H3   PRO   1           HT2      PRO   1  -1.496  -1.086  -9.077
    3    HA   PRO   1           HA       PRO   1   0.393  -1.907  -8.719
    4    HB2  PRO   1           HB2      PRO   1   0.569  -1.787  -5.853
    5    HB3  PRO   1           HB3      PRO   1   1.291  -0.701  -7.048
    6    HG2  PRO   1           HG2      PRO   1  -0.761   0.010  -5.372
    7    HG3  PRO   1           HG3      PRO   1  -0.439   0.773  -6.937
    8    HD2  PRO   1           HD2      PRO   1  -2.467  -1.320  -6.232
    9    HD3  PRO   1           HD3      PRO   1  -2.630   0.091  -7.290
   10    H    SER   2           H        SER   2  -1.092  -3.015  -5.677
   11    HA   SER   2           HA       SER   2  -1.017  -5.775  -6.482
   12    HB2  SER   2           HB2      SER   2   0.555  -6.405  -4.607
   13    HB3  SER   2           HB3      SER   2   1.314  -5.538  -5.943
   14    HG   SER   2           HG       SER   2   2.034  -4.477  -4.203
   15    H    ILE   3           H        ILE   3  -0.993  -3.675  -3.625
   16    HA   ILE   3           HA       ILE   3  -2.241  -3.564  -1.746
   17    HB   ILE   3           HB       ILE   3  -4.395  -5.102  -3.180
   18   HG12  ILE   3          HG12      ILE   3  -3.992  -2.100  -3.116
   19   HG13  ILE   3          HG13      ILE   3  -3.685  -3.121  -4.517
   20   HG21  ILE   3          HG21      ILE   3  -4.662  -4.880  -0.756
   21   HG22  ILE   3          HG22      ILE   3  -5.896  -3.967  -1.627
   22   HG23  ILE   3          HG23      ILE   3  -4.523  -3.126  -0.902
   23   HD11  ILE   3          HD11      ILE   3  -5.826  -1.977  -4.691
   24   HD12  ILE   3          HD12      ILE   3  -6.357  -2.722  -3.182
   25   HD13  ILE   3          HD13      ILE   3  -6.043  -3.726  -4.598
   26    H    HCS   4           H        HCS   4  -0.677  -4.936  -0.847
   27    HA   HCS   4           HA       HCS   4  -1.068  -7.756  -0.682
   28    HB2  HCS   4           HB1      HCS   4   0.647  -5.977   1.055
   29    HB3  HCS   4           HB2      HCS   4   0.789  -7.719   0.898
   30    HG2  HCS   4           HG1      HCS   4   1.341  -7.401  -1.497
   31    HG3  HCS   4           HG2      HCS   4   1.326  -5.664  -1.228
   32    H    HIS   5           H        HIS   5  -1.483  -5.022   1.468
   33    HA   HIS   5           HA       HIS   5  -3.884  -5.687   2.601
   34    HB2  HIS   5           HB2      HIS   5  -3.329  -6.557   4.823
   35    HB3  HIS   5           HB3      HIS   5  -2.823  -7.667   3.563
   36    HD1  HIS   5           HD1      HIS   5  -1.599  -5.881   6.487
   37    HD2  HIS   5           HD2      HIS   5   0.035  -7.694   3.133
   38    HE1  HIS   5           HE1      HIS   5   0.821  -6.251   7.040
   39    HE2  HIS   5           HE2      HIS   5   1.726  -7.558   5.088
   40    H    VAL   6           H        VAL   6  -2.982  -3.465   1.720
   41    HA   VAL   6           HA       VAL   6  -1.616  -1.938   3.807
   42    HB   VAL   6           HB       VAL   6  -2.111  -0.532   1.302
   43   HG11  VAL   6          HG11      VAL   6  -0.554   0.249   2.981
   44   HG12  VAL   6          HG12      VAL   6   0.293  -0.100   1.475
   45   HG13  VAL   6          HG13      VAL   6   0.390  -1.233   2.824
   46   HG21  VAL   6          HG21      VAL   6  -0.496  -3.076   1.202
   47   HG22  VAL   6          HG22      VAL   6  -0.469  -1.815  -0.032
   48   HG23  VAL   6          HG23      VAL   6  -1.955  -2.711   0.282
   49    H    HIS   7           H        HIS   7  -2.310   0.489   3.749
   50    HA   HIS   7           HA       HIS   7  -5.023   0.670   4.550
   51    HB2  HIS   7           HB2      HIS   7  -3.344   2.078   5.583
   52    HB3  HIS   7           HB3      HIS   7  -2.941   2.795   4.031
   53    HD1  HIS   7           HD1      HIS   7  -5.902   2.638   6.416
   54    HD2  HIS   7           HD2      HIS   7  -4.243   5.088   3.496
   55    HE1  HIS   7           HE1      HIS   7  -7.326   4.708   6.383
   56    HE2  HIS   7           HE2      HIS   7  -6.369   6.133   4.537
   57    H    ARG   8           H        ARG   8  -3.398   2.540   1.940
   58    HA   ARG   8           HA       ARG   8  -5.923   3.160   0.741
   59    HB2  ARG   8           HB2      ARG   8  -3.200   3.545  -0.498
   60    HB3  ARG   8           HB3      ARG   8  -4.675   4.407  -0.881
   61    HG2  ARG   8           HG2      ARG   8  -4.516   5.031   1.670
   62    HG3  ARG   8           HG3      ARG   8  -2.803   4.766   1.359
   63    HD2  ARG   8           HD2      ARG   8  -4.661   6.791   0.192
   64    HD3  ARG   8           HD3      ARG   8  -3.082   7.021   0.934
   65    HE   ARG   8           HE       ARG   8  -3.454   5.784  -1.730
   66   HH11  ARG   8          HH11      ARG   8  -1.743   7.944   0.456
   67   HH12  ARG   8          HH12      ARG   8  -0.633   8.494  -0.754
   68   HH21  ARG   8          HH21      ARG   8  -2.001   6.508  -3.323
   69   HH22  ARG   8          HH22      ARG   8  -0.741   7.639  -2.889
   70    HA   PRO   9           HA       PRO   9  -5.985  -0.217  -2.132
   71    HB2  PRO   9           HB2      PRO   9  -7.998   0.599  -3.702
   72    HB3  PRO   9           HB3      PRO   9  -8.259   0.151  -2.014
   73    HG2  PRO   9           HG2      PRO   9  -8.229   2.832  -3.266
   74    HG3  PRO   9           HG3      PRO   9  -9.091   2.270  -1.827
   75    HD2  PRO   9           HD2      PRO   9  -6.642   3.724  -1.926
   76    HD3  PRO   9           HD3      PRO   9  -7.442   3.056  -0.493
   77    H    ASP  10           H        ASP  10  -4.888   2.847  -2.943
   78    HA   ASP  10           HA       ASP  10  -4.485   2.204  -5.775
   79    HB2  ASP  10           HB2      ASP  10  -4.152   4.555  -6.126
   80    HB3  ASP  10           HB3      ASP  10  -5.612   4.358  -5.170
   81    H    TRP  11           H        TRP  11  -2.818   2.439  -2.795
   82    HA   TRP  11           HA       TRP  11  -0.272   2.822  -4.190
   83    HB2  TRP  11           HB2      TRP  11   0.646   3.683  -2.181
   84    HB3  TRP  11           HB3      TRP  11  -0.952   4.385  -2.325
   85    HD1  TRP  11           HD1      TRP  11  -1.728   1.137  -0.994
   86    HE1  TRP  11           HE1      TRP  11  -1.863   1.170   1.555
   87    HE3  TRP  11           HE3      TRP  11   0.546   5.623  -0.116
   88    HZ2  TRP  11           HZ2      TRP  11  -1.115   2.873   3.686
   89    HZ3  TRP  11           HZ3      TRP  11   0.780   6.392   2.204
   90    HH2  TRP  11           HH2      TRP  11  -0.028   5.038   4.064
   91    HA   PRO  12           HA       PRO  12   1.045  -1.324  -3.355
   92    HB2  PRO  12           HB2      PRO  12   3.687  -1.093  -2.995
   93    HB3  PRO  12           HB3      PRO  12   2.937  -0.704  -4.547
   94    HG2  PRO  12           HG2      PRO  12   3.801   1.141  -2.354
   95    HG3  PRO  12           HG3      PRO  12   4.059   1.292  -4.088
   96    HD2  PRO  12           HD2      PRO  12   2.075   2.594  -2.764
   97    HD3  PRO  12           HD3      PRO  12   1.953   2.122  -4.465
   98    H    CYS  13           H        CYS  13   2.940  -2.436  -1.777
   99    HA   CYS  13           HA       CYS  13   1.944  -1.856   0.920
  100    HB2  CYS  13           HB2      CYS  13   2.767  -4.092   1.518
  101    HB3  CYS  13           HB3      CYS  13   1.641  -4.159   0.165
  102    H    TRP  14           H        TRP  14   4.170  -0.495  -0.659
  103    HA   TRP  14           HA       TRP  14   6.135  -0.563   1.497
  104    HB2  TRP  14           HB2      TRP  14   7.974  -0.474  -0.277
  105    HB3  TRP  14           HB3      TRP  14   7.199  -2.030  -0.003
  106    HD1  TRP  14           HD1      TRP  14   5.595  -2.948  -1.934
  107    HE1  TRP  14           HE1      TRP  14   5.462  -2.411  -4.446
  108    HE3  TRP  14           HE3      TRP  14   8.241   1.413  -1.970
  109    HZ2  TRP  14           HZ2      TRP  14   6.341  -0.392  -6.202
  110    HZ3  TRP  14           HZ3      TRP  14   8.530   2.599  -4.098
  111    HH2  TRP  14           HH2      TRP  14   7.603   1.707  -6.170
  112    H    TYR  15           H        TYR  15   5.324   0.993  -1.580
  113    HA   TYR  15           HA       TYR  15   5.660   3.108  -2.335
  114    HB2  TYR  15           HB2      TYR  15   4.320   4.787  -0.911
  115    HB3  TYR  15           HB3      TYR  15   3.477   3.426  -1.633
  116    HD1  TYR  15           HD1      TYR  15   4.409   5.042   1.474
  117    HD2  TYR  15           HD2      TYR  15   2.829   1.491  -0.243
  118    HE1  TYR  15           HE1      TYR  15   3.573   4.356   3.675
  119    HE2  TYR  15           HE2      TYR  15   1.989   0.800   1.937
  120    HH   TYR  15           HH       TYR  15   1.946   2.919   4.666
  121    H    ARG  16           H        ARG  16   7.867   3.322  -2.220
  122    HA   ARG  16           HA       ARG  16   8.889   4.884   0.057
  123    HB2  ARG  16           HB2      ARG  16  10.309   2.749  -1.543
  124    HB3  ARG  16           HB3      ARG  16  11.056   3.750  -0.306
  125    HG2  ARG  16           HG2      ARG  16   9.835   2.753   1.415
  126    HG3  ARG  16           HG3      ARG  16   8.666   2.050   0.295
  127    HD2  ARG  16           HD2      ARG  16  10.322   0.518  -0.541
  128    HD3  ARG  16           HD3      ARG  16  11.579   1.292   0.424
  129    HE   ARG  16           HE       ARG  16   9.665   0.483   2.224
  130   HH11  ARG  16          HH11      ARG  16  11.658  -1.098  -0.190
  131   HH12  ARG  16          HH12      ARG  16  11.800  -2.571   0.719
  132   HH21  ARG  16          HH21      ARG  16   9.823  -1.457   3.392
  133   HH22  ARG  16          HH22      ARG  16  10.765  -2.772   2.761
  Start of MODEL   31
    1    H2   PRO   1           HT1      PRO   1  -2.279  -2.239  -7.235
    2    H3   PRO   1           HT2      PRO   1  -2.061  -1.202  -8.475
    3    HA   PRO   1           HA       PRO   1  -0.182  -2.067  -8.777
    4    HB2  PRO   1           HB2      PRO   1   1.196  -1.323  -6.358
    5    HB3  PRO   1           HB3      PRO   1   1.336  -0.623  -7.979
    6    HG2  PRO   1           HG2      PRO   1   0.184   0.683  -5.870
    7    HG3  PRO   1           HG3      PRO   1  -0.239   0.977  -7.568
    8    HD2  PRO   1           HD2      PRO   1  -1.665  -0.703  -5.526
    9    HD3  PRO   1           HD3      PRO   1  -2.339   0.431  -6.710
   10    H    SER   2           H        SER   2  -0.019  -2.344  -5.244
   11    HA   SER   2           HA       SER   2  -0.315  -5.222  -5.466
   12    HB2  SER   2           HB2      SER   2   1.732  -5.451  -3.914
   13    HB3  SER   2           HB3      SER   2   2.025  -5.156  -5.628
   14    HG   SER   2           HG       SER   2   3.182  -3.559  -4.897
   15    H    ILE   3           H        ILE   3  -2.310  -4.743  -4.428
   16    HA   ILE   3           HA       ILE   3  -2.258  -3.667  -1.762
   17    HB   ILE   3           HB       ILE   3  -4.538  -5.127  -3.073
   18   HG12  ILE   3          HG12      ILE   3  -3.983  -2.152  -3.039
   19   HG13  ILE   3          HG13      ILE   3  -3.792  -3.194  -4.444
   20   HG21  ILE   3          HG21      ILE   3  -5.910  -3.899  -1.466
   21   HG22  ILE   3          HG22      ILE   3  -4.462  -3.139  -0.808
   22   HG23  ILE   3          HG23      ILE   3  -4.694  -4.878  -0.645
   23   HD11  ILE   3          HD11      ILE   3  -6.169  -3.671  -4.431
   24   HD12  ILE   3          HD12      ILE   3  -5.883  -1.933  -4.512
   25   HD13  ILE   3          HD13      ILE   3  -6.374  -2.679  -2.991
   26    H    HCS   4           H        HCS   4  -0.720  -5.096  -0.926
   27    HA   HCS   4           HA       HCS   4  -1.203  -7.881  -0.657
   28    HB2  HCS   4           HB1      HCS   4   0.591  -6.107   0.997
   29    HB3  HCS   4           HB2      HCS   4   0.701  -7.855   0.858
   30    HG2  HCS   4           HG1      HCS   4   1.196  -7.591  -1.545
   31    HG3  HCS   4           HG2      HCS   4   1.168  -5.849  -1.334
   32    H    HIS   5           H        HIS   5  -1.554  -5.099   1.461
   33    HA   HIS   5           HA       HIS   5  -3.974  -5.757   2.583
   34    HB2  HIS   5           HB2      HIS   5  -3.460  -6.577   4.823
   35    HB3  HIS   5           HB3      HIS   5  -2.837  -7.690   3.620
   36    HD1  HIS   5           HD1      HIS   5  -1.817  -5.748   6.554
   37    HD2  HIS   5           HD2      HIS   5   0.010  -7.616   3.327
   38    HE1  HIS   5           HE1      HIS   5   0.610  -5.968   7.184
   39    HE2  HIS   5           HE2      HIS   5   1.672  -7.203   5.262
   40    H    VAL   6           H        VAL   6  -2.849  -3.583   1.587
   41    HA   VAL   6           HA       VAL   6  -1.629  -1.984   3.683
   42    HB   VAL   6           HB       VAL   6  -2.095  -0.560   1.207
   43   HG11  VAL   6          HG11      VAL   6   0.391  -1.365   2.712
   44   HG12  VAL   6          HG12      VAL   6  -0.499   0.154   2.859
   45   HG13  VAL   6          HG13      VAL   6   0.342  -0.231   1.359
   46   HG21  VAL   6          HG21      VAL   6  -2.031  -2.733   0.151
   47   HG22  VAL   6          HG22      VAL   6  -0.554  -3.144   1.021
   48   HG23  VAL   6          HG23      VAL   6  -0.534  -1.862  -0.192
   49    H    HIS   7           H        HIS   7  -2.340   0.404   3.694
   50    HA   HIS   7           HA       HIS   7  -5.059   0.541   4.486
   51    HB2  HIS   7           HB2      HIS   7  -3.408   1.919   5.580
   52    HB3  HIS   7           HB3      HIS   7  -2.971   2.678   4.060
   53    HD1  HIS   7           HD1      HIS   7  -5.994   2.469   6.364
   54    HD2  HIS   7           HD2      HIS   7  -4.238   4.997   3.571
   55    HE1  HIS   7           HE1      HIS   7  -7.359   4.576   6.415
   56    HE2  HIS   7           HE2      HIS   7  -6.165   6.155   4.856
   57    H    ARG   8           H        ARG   8  -3.409   2.415   1.892
   58    HA   ARG   8           HA       ARG   8  -5.942   3.136   0.743
   59    HB2  ARG   8           HB2      ARG   8  -3.219   3.529  -0.497
   60    HB3  ARG   8           HB3      ARG   8  -4.684   4.430  -0.828
   61    HG2  ARG   8           HG2      ARG   8  -4.492   4.946   1.746
   62    HG3  ARG   8           HG3      ARG   8  -2.786   4.665   1.401
   63    HD2  ARG   8           HD2      ARG   8  -4.629   6.759   0.339
   64    HD3  ARG   8           HD3      ARG   8  -3.046   6.943   1.077
   65    HE   ARG   8           HE       ARG   8  -3.431   5.789  -1.617
   66   HH11  ARG   8          HH11      ARG   8  -1.719   7.932   0.594
   67   HH12  ARG   8          HH12      ARG   8  -0.648   8.535  -0.632
   68   HH21  ARG   8          HH21      ARG   8  -2.046   6.608  -3.223
   69   HH22  ARG   8          HH22      ARG   8  -0.817   7.766  -2.790
   70    HA   PRO   9           HA       PRO   9  -6.027  -0.160  -2.216
   71    HB2  PRO   9           HB2      PRO   9  -7.977   0.736  -3.829
   72    HB3  PRO   9           HB3      PRO   9  -8.297   0.263  -2.159
   73    HG2  PRO   9           HG2      PRO   9  -8.155   2.966  -3.356
   74    HG3  PRO   9           HG3      PRO   9  -9.082   2.399  -1.959
   75    HD2  PRO   9           HD2      PRO   9  -6.602   3.791  -1.936
   76    HD3  PRO   9           HD3      PRO   9  -7.455   3.101  -0.548
   77    H    ASP  10           H        ASP  10  -4.976   2.960  -3.010
   78    HA   ASP  10           HA       ASP  10  -4.515   2.330  -5.831
   79    HB2  ASP  10           HB2      ASP  10  -4.158   4.677  -6.146
   80    HB3  ASP  10           HB3      ASP  10  -5.611   4.490  -5.175
   81    H    TRP  11           H        TRP  11  -2.868   2.497  -2.831
   82    HA   TRP  11           HA       TRP  11  -0.311   2.859  -4.212
   83    HB2  TRP  11           HB2      TRP  11   0.630   3.655  -2.188
   84    HB3  TRP  11           HB3      TRP  11  -0.953   4.391  -2.302
   85    HD1  TRP  11           HD1      TRP  11  -1.774   1.114  -1.057
   86    HE1  TRP  11           HE1      TRP  11  -1.918   1.095   1.493
   87    HE3  TRP  11           HE3      TRP  11   0.579   5.539  -0.071
   88    HZ2  TRP  11           HZ2      TRP  11  -1.148   2.737   3.664
   89    HZ3  TRP  11           HZ3      TRP  11   0.821   6.248   2.269
   90    HH2  TRP  11           HH2      TRP  11  -0.020   4.868   4.096
   91    HA   PRO  12           HA       PRO  12   0.876  -1.326  -3.467
   92    HB2  PRO  12           HB2      PRO  12   3.525  -1.183  -3.189
   93    HB3  PRO  12           HB3      PRO  12   2.747  -0.712  -4.705
   94    HG2  PRO  12           HG2      PRO  12   3.714   1.019  -2.462
   95    HG3  PRO  12           HG3      PRO  12   3.951   1.224  -4.194
   96    HD2  PRO  12           HD2      PRO  12   2.031   2.542  -2.793
   97    HD3  PRO  12           HD3      PRO  12   1.870   2.131  -4.509
   98    H    CYS  13           H        CYS  13   2.711  -2.565  -1.950
   99    HA   CYS  13           HA       CYS  13   1.839  -1.975   0.777
  100    HB2  CYS  13           HB2      CYS  13   2.637  -4.224   1.338
  101    HB3  CYS  13           HB3      CYS  13   1.493  -4.269  -0.003
  102    H    TRP  14           H        TRP  14   4.092  -0.653  -0.851
  103    HA   TRP  14           HA       TRP  14   6.094  -0.809   1.273
  104    HB2  TRP  14           HB2      TRP  14   7.884  -0.718  -0.548
  105    HB3  TRP  14           HB3      TRP  14   7.061  -2.252  -0.302
  106    HD1  TRP  14           HD1      TRP  14   5.399  -3.074  -2.225
  107    HE1  TRP  14           HE1      TRP  14   5.233  -2.463  -4.721
  108    HE3  TRP  14           HE3      TRP  14   8.112   1.248  -2.189
  109    HZ2  TRP  14           HZ2      TRP  14   6.105  -0.395  -6.433
  110    HZ3  TRP  14           HZ3      TRP  14   8.368   2.499  -4.283
  111    HH2  TRP  14           HH2      TRP  14   7.388   1.690  -6.361
  112    H    TYR  15           H        TYR  15   5.203   0.877  -1.708
  113    HA   TYR  15           HA       TYR  15   5.581   2.995  -2.437
  114    HB2  TYR  15           HB2      TYR  15   4.324   4.674  -0.922
  115    HB3  TYR  15           HB3      TYR  15   3.433   3.355  -1.665
  116    HD1  TYR  15           HD1      TYR  15   4.453   4.864   1.474
  117    HD2  TYR  15           HD2      TYR  15   2.814   1.383  -0.321
  118    HE1  TYR  15           HE1      TYR  15   3.675   4.107   3.676
  119    HE2  TYR  15           HE2      TYR  15   2.036   0.612   1.856
  120    HH   TYR  15           HH       TYR  15   1.962   2.618   4.606
  121    H    ARG  16           H        ARG  16   7.807   3.111  -2.359
  122    HA   ARG  16           HA       ARG  16   8.897   4.732  -0.160
  123    HB2  ARG  16           HB2      ARG  16  10.230   2.689  -1.935
  124    HB3  ARG  16           HB3      ARG  16  11.109   3.758  -0.854
  125    HG2  ARG  16           HG2      ARG  16  10.520   2.604   0.992
  126    HG3  ARG  16           HG3      ARG  16   8.926   2.183   0.356
  127    HD2  ARG  16           HD2      ARG  16  10.526   0.260   0.646
  128    HD3  ARG  16           HD3      ARG  16   9.818   0.424  -0.956
  129    HE   ARG  16           HE       ARG  16  12.468   1.565  -0.470
  130   HH11  ARG  16          HH11      ARG  16  10.496  -0.946  -1.926
  131   HH12  ARG  16          HH12      ARG  16  11.718  -1.418  -3.059
  132   HH21  ARG  16          HH21      ARG  16  14.082   0.919  -1.944
  133   HH22  ARG  16          HH22      ARG  16  13.754  -0.370  -3.060
  Start of MODEL   32
    1    H2   PRO   1           HT1      PRO   1  -2.925  -1.974  -7.973
    2    H3   PRO   1           HT2      PRO   1  -1.808  -1.190  -8.868
    3    HA   PRO   1           HA       PRO   1  -0.353  -2.506  -8.182
    4    HB2  PRO   1           HB2      PRO   1  -0.485  -2.044  -5.309
    5    HB3  PRO   1           HB3      PRO   1   0.800  -1.633  -6.456
    6    HG2  PRO   1           HG2      PRO   1  -0.794   0.239  -5.335
    7    HG3  PRO   1           HG3      PRO   1  -0.115   0.409  -6.964
    8    HD2  PRO   1           HD2      PRO   1  -2.875  -0.463  -6.146
    9    HD3  PRO   1           HD3      PRO   1  -2.395   0.659  -7.431
   10    H    SER   2           H        SER   2   0.193  -4.260  -6.358
   11    HA   SER   2           HA       SER   2  -1.775  -6.259  -6.589
   12    HB2  SER   2           HB2      SER   2   0.570  -6.163  -4.682
   13    HB3  SER   2           HB3      SER   2  -0.303  -7.605  -5.185
   14    HG   SER   2           HG       SER   2   0.484  -7.356  -7.245
   15    H    ILE   3           H        ILE   3  -0.932  -4.075  -3.959
   16    HA   ILE   3           HA       ILE   3  -1.838  -3.629  -1.929
   17    HB   ILE   3           HB       ILE   3  -4.352  -4.942  -2.943
   18   HG12  ILE   3          HG12      ILE   3  -3.532  -2.031  -3.111
   19   HG13  ILE   3          HG13      ILE   3  -3.566  -3.149  -4.470
   20   HG21  ILE   3          HG21      ILE   3  -4.294  -4.584  -0.527
   21   HG22  ILE   3          HG22      ILE   3  -5.478  -3.529  -1.298
   22   HG23  ILE   3          HG23      ILE   3  -3.920  -2.879  -0.784
   23   HD11  ILE   3          HD11      ILE   3  -5.948  -2.320  -2.833
   24   HD12  ILE   3          HD12      ILE   3  -5.963  -3.400  -4.222
   25   HD13  ILE   3          HD13      ILE   3  -5.526  -1.707  -4.432
   26    H    HCS   4           H        HCS   4  -0.493  -5.010  -0.862
   27    HA   HCS   4           HA       HCS   4  -0.998  -7.804  -0.580
   28    HB2  HCS   4           HB1      HCS   4   0.837  -6.012   1.030
   29    HB3  HCS   4           HB2      HCS   4   0.910  -7.764   0.958
   30    HG2  HCS   4           HG1      HCS   4   1.450  -7.639  -1.417
   31    HG3  HCS   4           HG2      HCS   4   1.366  -5.888  -1.344
   32    H    HIS   5           H        HIS   5  -1.269  -5.025   1.562
   33    HA   HIS   5           HA       HIS   5  -3.678  -5.756   2.723
   34    HB2  HIS   5           HB2      HIS   5  -2.975  -6.391   5.012
   35    HB3  HIS   5           HB3      HIS   5  -2.503  -7.585   3.818
   36    HD1  HIS   5           HD1      HIS   5  -1.150  -5.438   6.471
   37    HD2  HIS   5           HD2      HIS   5   0.308  -7.636   3.266
   38    HE1  HIS   5           HE1      HIS   5   1.317  -5.680   6.892
   39    HE2  HIS   5           HE2      HIS   5   2.204  -6.850   4.840
   40    H    VAL   6           H        VAL   6  -2.691  -3.564   1.620
   41    HA   VAL   6           HA       VAL   6  -1.551  -1.832   3.647
   42    HB   VAL   6           HB       VAL   6  -2.061  -0.477   1.163
   43   HG11  VAL   6          HG11      VAL   6   0.481  -1.272   2.572
   44   HG12  VAL   6          HG12      VAL   6  -0.445   0.205   2.850
   45   HG13  VAL   6          HG13      VAL   6   0.335  -0.066   1.292
   46   HG21  VAL   6          HG21      VAL   6  -0.473  -3.032   0.970
   47   HG22  VAL   6          HG22      VAL   6  -0.525  -1.763  -0.258
   48   HG23  VAL   6          HG23      VAL   6  -1.985  -2.678   0.137
   49    H    HIS   7           H        HIS   7  -2.350   0.462   3.699
   50    HA   HIS   7           HA       HIS   7  -5.089   0.528   4.421
   51    HB2  HIS   7           HB2      HIS   7  -3.516   1.924   5.595
   52    HB3  HIS   7           HB3      HIS   7  -3.017   2.705   4.106
   53    HD1  HIS   7           HD1      HIS   7  -6.067   2.525   6.383
   54    HD2  HIS   7           HD2      HIS   7  -4.321   4.984   3.517
   55    HE1  HIS   7           HE1      HIS   7  -7.440   4.633   6.370
   56    HE2  HIS   7           HE2      HIS   7  -6.495   6.006   4.478
   57    H    ARG   8           H        ARG   8  -3.393   2.424   1.875
   58    HA   ARG   8           HA       ARG   8  -5.905   3.082   0.638
   59    HB2  ARG   8           HB2      ARG   8  -3.153   3.576  -0.499
   60    HB3  ARG   8           HB3      ARG   8  -4.636   4.425  -0.886
   61    HG2  ARG   8           HG2      ARG   8  -4.566   4.959   1.689
   62    HG3  ARG   8           HG3      ARG   8  -2.842   4.713   1.430
   63    HD2  ARG   8           HD2      ARG   8  -4.664   6.767   0.255
   64    HD3  ARG   8           HD3      ARG   8  -3.141   6.987   1.102
   65    HE   ARG   8           HE       ARG   8  -3.317   5.865  -1.624
   66   HH11  ARG   8          HH11      ARG   8  -1.802   7.975   0.745
   67   HH12  ARG   8          HH12      ARG   8  -0.626   8.590  -0.372
   68   HH21  ARG   8          HH21      ARG   8  -1.776   6.663  -3.086
   69   HH22  ARG   8          HH22      ARG   8  -0.597   7.836  -2.549
   70    HA   PRO   9           HA       PRO   9  -5.755  -0.156  -2.397
   71    HB2  PRO   9           HB2      PRO   9  -7.692   0.697  -4.033
   72    HB3  PRO   9           HB3      PRO   9  -8.047   0.180  -2.381
   73    HG2  PRO   9           HG2      PRO   9  -7.935   2.913  -3.529
   74    HG3  PRO   9           HG3      PRO   9  -8.919   2.292  -2.194
   75    HD2  PRO   9           HD2      PRO   9  -6.494   3.758  -2.004
   76    HD3  PRO   9           HD3      PRO   9  -7.377   2.983  -0.680
   77    H    ASP  10           H        ASP  10  -4.839   3.041  -3.083
   78    HA   ASP  10           HA       ASP  10  -4.298   2.528  -5.903
   79    HB2  ASP  10           HB2      ASP  10  -3.938   4.896  -6.097
   80    HB3  ASP  10           HB3      ASP  10  -5.404   4.655  -5.154
   81    H    TRP  11           H        TRP  11  -2.700   2.666  -2.859
   82    HA   TRP  11           HA       TRP  11  -0.119   3.076  -4.175
   83    HB2  TRP  11           HB2      TRP  11   0.748   3.841  -2.097
   84    HB3  TRP  11           HB3      TRP  11  -0.845   4.554  -2.257
   85    HD1  TRP  11           HD1      TRP  11  -1.645   1.244  -1.111
   86    HE1  TRP  11           HE1      TRP  11  -1.885   1.164   1.428
   87    HE3  TRP  11           HE3      TRP  11   0.576   5.689   0.057
   88    HZ2  TRP  11           HZ2      TRP  11  -1.220   2.763   3.659
   89    HZ3  TRP  11           HZ3      TRP  11   0.723   6.346   2.421
   90    HH2  TRP  11           HH2      TRP  11  -0.149   4.905   4.183
   91    HA   PRO  12           HA       PRO  12   1.138  -1.101  -3.562
   92    HB2  PRO  12           HB2      PRO  12   3.773  -0.937  -3.137
   93    HB3  PRO  12           HB3      PRO  12   3.066  -0.412  -4.670
   94    HG2  PRO  12           HG2      PRO  12   3.878   1.232  -2.300
   95    HG3  PRO  12           HG3      PRO  12   4.210   1.523  -4.007
   96    HD2  PRO  12           HD2      PRO  12   2.195   2.752  -2.662
   97    HD3  PRO  12           HD3      PRO  12   2.123   2.406  -4.396
   98    H    CYS  13           H        CYS  13   2.950  -2.364  -2.025
   99    HA   CYS  13           HA       CYS  13   1.961  -1.896   0.690
  100    HB2  CYS  13           HB2      CYS  13   2.607  -4.175   1.188
  101    HB3  CYS  13           HB3      CYS  13   1.600  -4.133  -0.256
  102    H    TRP  14           H        TRP  14   4.209  -0.454  -0.709
  103    HA   TRP  14           HA       TRP  14   6.155  -0.749   1.443
  104    HB2  TRP  14           HB2      TRP  14   8.015  -0.510  -0.308
  105    HB3  TRP  14           HB3      TRP  14   7.234  -2.079  -0.165
  106    HD1  TRP  14           HD1      TRP  14   5.657  -2.850  -2.183
  107    HE1  TRP  14           HE1      TRP  14   5.534  -2.120  -4.644
  108    HE3  TRP  14           HE3      TRP  14   8.254   1.535  -1.853
  109    HZ2  TRP  14           HZ2      TRP  14   6.403   0.032  -6.229
  110    HZ3  TRP  14           HZ3      TRP  14   8.541   2.882  -3.883
  111    HH2  TRP  14           HH2      TRP  14   7.637   2.141  -6.023
  112    H    TYR  15           H        TYR  15   5.363   1.070  -1.486
  113    HA   TYR  15           HA       TYR  15   5.710   3.229  -2.086
  114    HB2  TYR  15           HB2      TYR  15   4.348   4.793  -0.551
  115    HB3  TYR  15           HB3      TYR  15   3.523   3.481  -1.385
  116    HD1  TYR  15           HD1      TYR  15   4.449   4.839   1.860
  117    HD2  TYR  15           HD2      TYR  15   2.875   1.461  -0.179
  118    HE1  TYR  15           HE1      TYR  15   3.643   3.937   3.993
  119    HE2  TYR  15           HE2      TYR  15   2.068   0.554   1.934
  120    HH   TYR  15           HH       TYR  15   2.505   0.730   4.331
  121    H    ARG  16           H        ARG  16   7.828   3.715  -2.033
  122    HA   ARG  16           HA       ARG  16   8.862   4.914   0.448
  123    HB2  ARG  16           HB2      ARG  16  10.361   3.226  -1.564
  124    HB3  ARG  16           HB3      ARG  16  11.067   3.993  -0.146
  125    HG2  ARG  16           HG2      ARG  16  10.092   2.518   1.313
  126    HG3  ARG  16           HG3      ARG  16   8.772   2.121   0.204
  127    HD2  ARG  16           HD2      ARG  16  10.308   0.895  -1.223
  128    HD3  ARG  16           HD3      ARG  16  11.666   1.347  -0.190
  129    HE   ARG  16           HE       ARG  16   9.975   0.060   1.499
  130   HH11  ARG  16          HH11      ARG  16  11.377  -0.730  -1.610
  131   HH12  ARG  16          HH12      ARG  16  11.428  -2.438  -1.304
  132   HH21  ARG  16          HH21      ARG  16  10.037  -2.201   1.913
  133   HH22  ARG  16          HH22      ARG  16  10.680  -3.274   0.708
  Start of MODEL   33
    1    H2   PRO   1           HT1      PRO   1  -2.363  -2.175  -8.666
    2    H3   PRO   1           HT2      PRO   1  -1.046  -1.895  -9.591
    3    HA   PRO   1           HA       PRO   1   0.355  -1.862  -7.945
    4    HB2  PRO   1           HB2      PRO   1  -1.278  -1.335  -5.630
    5    HB3  PRO   1           HB3      PRO   1   0.074  -0.390  -6.268
    6    HG2  PRO   1           HG2      PRO   1  -2.822  -0.053  -6.715
    7    HG3  PRO   1           HG3      PRO   1  -1.512   1.133  -6.872
    8    HD2  PRO   1           HD2      PRO   1  -2.753   0.161  -9.035
    9    HD3  PRO   1           HD3      PRO   1  -1.008   0.471  -9.054
   10    H    SER   2           H        SER   2   0.682  -3.308  -5.997
   11    HA   SER   2           HA       SER   2  -0.528  -5.823  -6.592
   12    HB2  SER   2           HB2      SER   2   0.922  -6.626  -4.694
   13    HB3  SER   2           HB3      SER   2   1.790  -5.786  -5.975
   14    HG   SER   2           HG       SER   2   2.434  -5.082  -3.897
   15    H    ILE   3           H        ILE   3  -0.647  -3.605  -3.857
   16    HA   ILE   3           HA       ILE   3  -1.920  -3.483  -1.986
   17    HB   ILE   3           HB       ILE   3  -4.050  -4.984  -3.486
   18   HG12  ILE   3          HG12      ILE   3  -3.478  -2.016  -3.559
   19   HG13  ILE   3          HG13      ILE   3  -3.161  -3.133  -4.881
   20   HG21  ILE   3          HG21      ILE   3  -4.180  -2.884  -1.323
   21   HG22  ILE   3          HG22      ILE   3  -4.465  -4.611  -1.111
   22   HG23  ILE   3          HG23      ILE   3  -5.568  -3.650  -2.095
   23   HD11  ILE   3          HD11      ILE   3  -5.534  -3.596  -5.070
   24   HD12  ILE   3          HD12      ILE   3  -5.207  -1.869  -5.232
   25   HD13  ILE   3          HD13      ILE   3  -5.864  -2.509  -3.724
   26    H    HCS   4           H        HCS   4  -0.498  -4.919  -0.937
   27    HA   HCS   4           HA       HCS   4  -1.071  -7.728  -0.775
   28    HB2  HCS   4           HB1      HCS   4   0.684  -6.081   1.046
   29    HB3  HCS   4           HB2      HCS   4   0.760  -7.814   0.789
   30    HG2  HCS   4           HG1      HCS   4   1.465  -7.448  -1.510
   31    HG3  HCS   4           HG2      HCS   4   1.383  -5.711  -1.258
   32    H    HIS   5           H        HIS   5  -1.382  -4.936   1.291
   33    HA   HIS   5           HA       HIS   5  -3.730  -5.427   2.535
   34    HB2  HIS   5           HB2      HIS   5  -3.159  -6.347   4.750
   35    HB3  HIS   5           HB3      HIS   5  -2.857  -7.503   3.469
   36    HD1  HIS   5           HD1      HIS   5  -1.331  -6.102   6.413
   37    HD2  HIS   5           HD2      HIS   5   0.009  -7.655   2.805
   38    HE1  HIS   5           HE1      HIS   5   1.080  -6.711   6.796
   39    HE2  HIS   5           HE2      HIS   5   1.832  -7.769   4.639
   40    H    VAL   6           H        VAL   6  -3.524  -3.200   2.091
   41    HA   VAL   6           HA       VAL   6  -1.715  -1.745   3.907
   42    HB   VAL   6           HB       VAL   6  -2.217  -0.369   1.375
   43   HG11  VAL   6          HG11      VAL   6   0.283  -1.049   2.920
   44   HG12  VAL   6          HG12      VAL   6  -0.627   0.463   2.987
   45   HG13  VAL   6          HG13      VAL   6   0.211   0.004   1.506
   46   HG21  VAL   6          HG21      VAL   6  -2.107  -2.633   0.476
   47   HG22  VAL   6          HG22      VAL   6  -0.577  -2.899   1.314
   48   HG23  VAL   6          HG23      VAL   6  -0.679  -1.699   0.024
   49    H    HIS   7           H        HIS   7  -2.332   0.696   3.849
   50    HA   HIS   7           HA       HIS   7  -4.993   1.019   4.719
   51    HB2  HIS   7           HB2      HIS   7  -3.252   2.433   5.578
   52    HB3  HIS   7           HB3      HIS   7  -2.851   2.997   3.968
   53    HD1  HIS   7           HD1      HIS   7  -5.313   3.520   6.743
   54    HD2  HIS   7           HD2      HIS   7  -4.425   5.046   2.976
   55    HE1  HIS   7           HE1      HIS   7  -6.610   5.664   6.560
   56    HE2  HIS   7           HE2      HIS   7  -6.209   6.468   4.207
   57    H    ARG   8           H        ARG   8  -3.410   2.446   1.828
   58    HA   ARG   8           HA       ARG   8  -5.979   3.112   0.700
   59    HB2  ARG   8           HB2      ARG   8  -3.254   3.242  -0.583
   60    HB3  ARG   8           HB3      ARG   8  -4.718   3.961  -1.204
   61    HG2  ARG   8           HG2      ARG   8  -4.758   5.426   0.822
   62    HG3  ARG   8           HG3      ARG   8  -3.146   4.790   1.203
   63    HD2  ARG   8           HD2      ARG   8  -2.230   5.607  -0.788
   64    HD3  ARG   8           HD3      ARG   8  -3.811   5.921  -1.478
   65    HE   ARG   8           HE       ARG   8  -3.167   7.462   0.882
   66   HH11  ARG   8          HH11      ARG   8  -3.191   7.282  -2.622
   67   HH12  ARG   8          HH12      ARG   8  -3.030   9.005  -2.829
   68   HH21  ARG   8          HH21      ARG   8  -2.991   9.746   0.592
   69   HH22  ARG   8          HH22      ARG   8  -2.947  10.391  -1.017
   70    HA   PRO   9           HA       PRO   9  -5.922  -0.403  -2.135
   71    HB2  PRO   9           HB2      PRO   9  -7.995   0.272  -3.674
   72    HB3  PRO   9           HB3      PRO   9  -8.232  -0.159  -1.977
   73    HG2  PRO   9           HG2      PRO   9  -8.317   2.503  -3.276
   74    HG3  PRO   9           HG3      PRO   9  -9.181   1.922  -1.845
   75    HD2  PRO   9           HD2      PRO   9  -6.782   3.475  -1.924
   76    HD3  PRO   9           HD3      PRO   9  -7.583   2.800  -0.494
   77    H    ASP  10           H        ASP  10  -4.942   2.697  -2.803
   78    HA   ASP  10           HA       ASP  10  -4.554   2.219  -5.672
   79    HB2  ASP  10           HB2      ASP  10  -4.225   4.678  -5.824
   80    HB3  ASP  10           HB3      ASP  10  -5.814   4.224  -5.233
   81    H    TRP  11           H        TRP  11  -2.853   2.239  -2.759
   82    HA   TRP  11           HA       TRP  11  -0.363   2.763  -4.225
   83    HB2  TRP  11           HB2      TRP  11   0.620   3.681  -2.253
   84    HB3  TRP  11           HB3      TRP  11  -0.962   4.400  -2.415
   85    HD1  TRP  11           HD1      TRP  11  -1.758   1.209  -0.950
   86    HE1  TRP  11           HE1      TRP  11  -1.876   1.365   1.600
   87    HE3  TRP  11           HE3      TRP  11   0.584   5.681  -0.319
   88    HZ2  TRP  11           HZ2      TRP  11  -1.080   3.162   3.632
   89    HZ3  TRP  11           HZ3      TRP  11   0.878   6.559   1.959
   90    HH2  TRP  11           HH2      TRP  11   0.058   5.312   3.889
   91    HA   PRO  12           HA       PRO  12   1.020  -1.336  -3.301
   92    HB2  PRO  12           HB2      PRO  12   3.649  -1.073  -2.832
   93    HB3  PRO  12           HB3      PRO  12   2.956  -0.752  -4.423
   94    HG2  PRO  12           HG2      PRO  12   3.703   1.178  -2.264
   95    HG3  PRO  12           HG3      PRO  12   4.034   1.272  -3.993
   96    HD2  PRO  12           HD2      PRO  12   2.005   2.611  -2.808
   97    HD3  PRO  12           HD3      PRO  12   1.927   2.045  -4.483
   98    H    CYS  13           H        CYS  13   2.837  -2.438  -1.681
   99    HA   CYS  13           HA       CYS  13   1.781  -1.889   0.991
  100    HB2  CYS  13           HB2      CYS  13   2.570  -4.117   1.574
  101    HB3  CYS  13           HB3      CYS  13   1.553  -4.190   0.139
  102    H    TRP  14           H        TRP  14   4.109  -0.621  -0.629
  103    HA   TRP  14           HA       TRP  14   6.042  -0.649   1.566
  104    HB2  TRP  14           HB2      TRP  14   7.865  -0.633  -0.250
  105    HB3  TRP  14           HB3      TRP  14   7.068  -2.162   0.098
  106    HD1  TRP  14           HD1      TRP  14   5.437  -3.139  -1.763
  107    HE1  TRP  14           HE1      TRP  14   5.241  -2.720  -4.288
  108    HE3  TRP  14           HE3      TRP  14   8.076   1.209  -2.046
  109    HZ2  TRP  14           HZ2      TRP  14   6.073  -0.781  -6.149
  110    HZ3  TRP  14           HZ3      TRP  14   8.308   2.302  -4.233
  111    HH2  TRP  14           HH2      TRP  14   7.330   1.319  -6.239
  112    H    TYR  15           H        TYR  15   5.238   0.870  -1.530
  113    HA   TYR  15           HA       TYR  15   5.633   2.942  -2.346
  114    HB2  TYR  15           HB2      TYR  15   4.322   4.688  -0.964
  115    HB3  TYR  15           HB3      TYR  15   3.458   3.323  -1.652
  116    HD1  TYR  15           HD1      TYR  15   2.733   1.468  -0.228
  117    HD2  TYR  15           HD2      TYR  15   4.478   4.973   1.429
  118    HE1  TYR  15           HE1      TYR  15   1.902   0.832   1.981
  119    HE2  TYR  15           HE2      TYR  15   3.640   4.344   3.653
  120    HH   TYR  15           HH       TYR  15   1.873   2.963   4.632
  121    H    ARG  16           H        ARG  16   7.838   3.137  -2.269
  122    HA   ARG  16           HA       ARG  16   8.931   4.677  -0.009
  123    HB2  ARG  16           HB2      ARG  16  10.334   2.504  -1.582
  124    HB3  ARG  16           HB3      ARG  16  10.990   3.383  -0.206
  125    HG2  ARG  16           HG2      ARG  16   9.530   2.320   1.302
  126    HG3  ARG  16           HG3      ARG  16   8.494   1.728   0.006
  127    HD2  ARG  16           HD2      ARG  16   9.798  -0.103   0.845
  128    HD3  ARG  16           HD3      ARG  16  10.345   0.298  -0.780
  129    HE   ARG  16           HE       ARG  16  11.869   1.607   1.264
  130   HH11  ARG  16          HH11      ARG  16  11.543  -1.337  -0.618
  131   HH12  ARG  16          HH12      ARG  16  13.161  -1.873  -0.295
  132   HH21  ARG  16          HH21      ARG  16  14.004   0.893   1.695
  133   HH22  ARG  16          HH22      ARG  16  14.556  -0.609   1.022
  Start of MODEL   34
    1    H2   PRO   1           HT1      PRO   1  -1.850  -2.190  -8.636
    2    H3   PRO   1           HT2      PRO   1  -0.799  -1.163  -9.349
    3    HA   PRO   1           HA       PRO   1   0.718  -2.109  -8.263
    4    HB2  PRO   1           HB2      PRO   1   0.067  -1.365  -5.560
    5    HB3  PRO   1           HB3      PRO   1   1.292  -0.673  -6.634
    6    HG2  PRO   1           HG2      PRO   1  -0.986   0.647  -5.878
    7    HG3  PRO   1           HG3      PRO   1  -0.100   0.971  -7.376
    8    HD2  PRO   1           HD2      PRO   1  -2.577  -0.668  -6.962
    9    HD3  PRO   1           HD3      PRO   1  -2.196   0.484  -8.255
   10    H    SER   2           H        SER   2   1.371  -3.667  -6.522
   11    HA   SER   2           HA       SER   2  -0.622  -5.738  -6.295
   12    HB2  SER   2           HB2      SER   2   2.194  -5.668  -5.186
   13    HB3  SER   2           HB3      SER   2   1.179  -7.094  -5.401
   14    HG   SER   2           HG       SER   2   1.493  -5.600  -7.681
   15    H    ILE   3           H        ILE   3  -2.163  -5.379  -4.828
   16    HA   ILE   3           HA       ILE   3  -1.566  -4.027  -2.341
   17    HB   ILE   3           HB       ILE   3  -4.183  -5.266  -3.191
   18   HG12  ILE   3          HG12      ILE   3  -3.208  -2.417  -3.522
   19   HG13  ILE   3          HG13      ILE   3  -3.433  -3.580  -4.822
   20   HG21  ILE   3          HG21      ILE   3  -3.975  -4.846  -0.791
   21   HG22  ILE   3          HG22      ILE   3  -5.164  -3.776  -1.533
   22   HG23  ILE   3          HG23      ILE   3  -3.566  -3.163  -1.124
   23   HD11  ILE   3          HD11      ILE   3  -5.824  -3.617  -4.391
   24   HD12  ILE   3          HD12      ILE   3  -5.260  -1.978  -4.714
   25   HD13  ILE   3          HD13      ILE   3  -5.612  -2.480  -3.061
   26    H    HCS   4           H        HCS   4  -0.419  -5.260  -1.033
   27    HA   HCS   4           HA       HCS   4  -0.902  -8.059  -0.617
   28    HB2  HCS   4           HB1      HCS   4   0.688  -6.187   1.138
   29    HB3  HCS   4           HB2      HCS   4   0.885  -7.922   0.980
   30    HG2  HCS   4           HG1      HCS   4   1.668  -7.629  -1.308
   31    HG3  HCS   4           HG2      HCS   4   1.447  -5.896  -1.170
   32    H    HIS   5           H        HIS   5  -1.142  -5.190   1.370
   33    HA   HIS   5           HA       HIS   5  -3.707  -5.385   2.257
   34    HB2  HIS   5           HB2      HIS   5  -3.630  -6.281   4.502
   35    HB3  HIS   5           HB3      HIS   5  -2.982  -7.502   3.418
   36    HD1  HIS   5           HD1      HIS   5  -2.232  -5.688   6.485
   37    HD2  HIS   5           HD2      HIS   5  -0.088  -7.677   3.538
   38    HE1  HIS   5           HE1      HIS   5   0.022  -6.155   7.494
   39    HE2  HIS   5           HE2      HIS   5   1.346  -7.254   5.653
   40    H    VAL   6           H        VAL   6  -3.808  -3.222   2.261
   41    HA   VAL   6           HA       VAL   6  -1.845  -1.772   3.873
   42    HB   VAL   6           HB       VAL   6  -2.299  -0.348   1.396
   43   HG11  VAL   6          HG11      VAL   6   0.164  -1.313   2.847
   44   HG12  VAL   6          HG12      VAL   6  -0.603   0.273   2.982
   45   HG13  VAL   6          HG13      VAL   6   0.169  -0.209   1.471
   46   HG21  VAL   6          HG21      VAL   6  -0.897  -1.750  -0.052
   47   HG22  VAL   6          HG22      VAL   6  -2.405  -2.555   0.379
   48   HG23  VAL   6          HG23      VAL   6  -0.903  -3.014   1.179
   49    H    HIS   7           H        HIS   7  -2.414   0.647   3.874
   50    HA   HIS   7           HA       HIS   7  -5.098   0.962   4.729
   51    HB2  HIS   7           HB2      HIS   7  -3.338   2.260   5.753
   52    HB3  HIS   7           HB3      HIS   7  -2.901   2.962   4.204
   53    HD1  HIS   7           HD1      HIS   7  -5.815   3.008   6.651
   54    HD2  HIS   7           HD2      HIS   7  -4.090   5.299   3.638
   55    HE1  HIS   7           HE1      HIS   7  -7.080   5.184   6.646
   56    HE2  HIS   7           HE2      HIS   7  -5.927   6.606   4.919
   57    H    ARG   8           H        ARG   8  -3.389   2.625   2.049
   58    HA   ARG   8           HA       ARG   8  -5.901   3.445   0.915
   59    HB2  ARG   8           HB2      ARG   8  -3.195   3.671  -0.389
   60    HB3  ARG   8           HB3      ARG   8  -4.615   4.646  -0.693
   61    HG2  ARG   8           HG2      ARG   8  -4.360   5.319   1.791
   62    HG3  ARG   8           HG3      ARG   8  -2.702   4.766   1.567
   63    HD2  ARG   8           HD2      ARG   8  -4.131   6.873  -0.019
   64    HD3  ARG   8           HD3      ARG   8  -2.858   7.136   1.163
   65    HE   ARG   8           HE       ARG   8  -1.690   5.503  -0.646
   66   HH11  ARG   8          HH11      ARG   8  -3.448   8.502  -0.880
   67   HH12  ARG   8          HH12      ARG   8  -2.554   9.085  -2.249
   68   HH21  ARG   8          HH21      ARG   8  -0.479   6.265  -2.467
   69   HH22  ARG   8          HH22      ARG   8  -0.866   7.814  -3.144
   70    HA   PRO   9           HA       PRO   9  -6.116   0.059  -1.941
   71    HB2  PRO   9           HB2      PRO   9  -8.175   0.921  -3.427
   72    HB3  PRO   9           HB3      PRO   9  -8.382   0.474  -1.732
   73    HG2  PRO   9           HG2      PRO   9  -8.357   3.148  -2.985
   74    HG3  PRO   9           HG3      PRO   9  -9.151   2.606  -1.498
   75    HD2  PRO   9           HD2      PRO   9  -6.662   3.997  -1.748
   76    HD3  PRO   9           HD3      PRO   9  -7.422   3.396  -0.267
   77    H    ASP  10           H        ASP  10  -4.916   3.041  -2.713
   78    HA   ASP  10           HA       ASP  10  -4.687   2.524  -5.592
   79    HB2  ASP  10           HB2      ASP  10  -5.632   4.693  -5.025
   80    HB3  ASP  10           HB3      ASP  10  -4.259   5.051  -3.984
   81    H    TRP  11           H        TRP  11  -2.896   2.609  -2.663
   82    HA   TRP  11           HA       TRP  11  -0.379   2.861  -4.134
   83    HB2  TRP  11           HB2      TRP  11   0.638   3.648  -2.134
   84    HB3  TRP  11           HB3      TRP  11  -0.916   4.450  -2.239
   85    HD1  TRP  11           HD1      TRP  11  -1.844   1.221  -0.927
   86    HE1  TRP  11           HE1      TRP  11  -1.953   1.257   1.621
   87    HE3  TRP  11           HE3      TRP  11   0.699   5.566  -0.059
   88    HZ2  TRP  11           HZ2      TRP  11  -1.076   2.895   3.744
   89    HZ3  TRP  11           HZ3      TRP  11   1.020   6.292   2.264
   90    HH2  TRP  11           HH2      TRP  11   0.159   4.975   4.121
   91    HA   PRO  12           HA       PRO  12   0.746  -1.355  -3.255
   92    HB2  PRO  12           HB2      PRO  12   3.398  -1.248  -2.887
   93    HB3  PRO  12           HB3      PRO  12   2.680  -0.877  -4.459
   94    HG2  PRO  12           HG2      PRO  12   3.616   0.995  -2.319
   95    HG3  PRO  12           HG3      PRO  12   3.889   1.079  -4.055
   96    HD2  PRO  12           HD2      PRO  12   1.971   2.525  -2.791
   97    HD3  PRO  12           HD3      PRO  12   1.821   1.986  -4.473
   98    H    CYS  13           H        CYS  13   2.530  -2.546  -1.645
   99    HA   CYS  13           HA       CYS  13   1.516  -1.949   1.012
  100    HB2  CYS  13           HB2      CYS  13   2.390  -4.114   1.644
  101    HB3  CYS  13           HB3      CYS  13   1.436  -4.263   0.173
  102    H    TRP  14           H        TRP  14   3.934  -0.727  -0.669
  103    HA   TRP  14           HA       TRP  14   5.795  -0.688   1.595
  104    HB2  TRP  14           HB2      TRP  14   7.667  -0.784  -0.145
  105    HB3  TRP  14           HB3      TRP  14   6.791  -2.277   0.178
  106    HD1  TRP  14           HD1      TRP  14   5.198  -3.199  -1.753
  107    HE1  TRP  14           HE1      TRP  14   5.132  -2.766  -4.284
  108    HE3  TRP  14           HE3      TRP  14   8.019   1.040  -1.899
  109    HZ2  TRP  14           HZ2      TRP  14   6.114  -0.837  -6.101
  110    HZ3  TRP  14           HZ3      TRP  14   8.388   2.139  -4.054
  111    HH2  TRP  14           HH2      TRP  14   7.457   1.218  -6.117
  112    H    TYR  15           H        TYR  15   5.058   0.782  -1.537
  113    HA   TYR  15           HA       TYR  15   5.444   2.838  -2.407
  114    HB2  TYR  15           HB2      TYR  15   4.320   4.659  -0.931
  115    HB3  TYR  15           HB3      TYR  15   3.345   3.368  -1.616
  116    HD1  TYR  15           HD1      TYR  15   4.660   4.816   1.472
  117    HD2  TYR  15           HD2      TYR  15   2.518   1.561  -0.223
  118    HE1  TYR  15           HE1      TYR  15   3.902   4.158   3.707
  119    HE2  TYR  15           HE2      TYR  15   1.748   0.901   1.989
  120    HH   TYR  15           HH       TYR  15   2.081   2.915   4.733
  121    H    ARG  16           H        ARG  16   7.573   3.219  -2.574
  122    HA   ARG  16           HA       ARG  16   8.800   4.877  -0.497
  123    HB2  ARG  16           HB2      ARG  16  10.008   2.363  -1.657
  124    HB3  ARG  16           HB3      ARG  16  10.872   3.510  -0.640
  125    HG2  ARG  16           HG2      ARG  16   9.543   2.994   1.241
  126    HG3  ARG  16           HG3      ARG  16   8.359   2.143   0.250
  127    HD2  ARG  16           HD2      ARG  16   9.905   0.685   1.591
  128    HD3  ARG  16           HD3      ARG  16   9.824   0.336  -0.137
  129    HE   ARG  16           HE       ARG  16  11.940   1.928  -0.064
  130   HH11  ARG  16          HH11      ARG  16  11.064  -0.637   2.146
  131   HH12  ARG  16          HH12      ARG  16  12.705  -1.118   2.442
  132   HH21  ARG  16          HH21      ARG  16  14.095   1.293   0.308
  133   HH22  ARG  16          HH22      ARG  16  14.427  -0.006   1.410
  Start of MODEL   35
    1    H2   PRO   1           HT1      PRO   1  -1.589  -1.369  -7.933
    2    H3   PRO   1           HT2      PRO   1  -0.563  -1.688  -9.160
    3    HA   PRO   1           HA       PRO   1   1.242  -1.687  -7.926
    4    HB2  PRO   1           HB2      PRO   1   0.154  -0.456  -5.503
    5    HB3  PRO   1           HB3      PRO   1   1.671  -0.133  -6.354
    6    HG2  PRO   1           HG2      PRO   1  -0.866   1.244  -6.580
    7    HG3  PRO   1           HG3      PRO   1   0.697   1.678  -7.292
    8    HD2  PRO   1           HD2      PRO   1  -1.446   0.869  -8.773
    9    HD3  PRO   1           HD3      PRO   1   0.234   0.598  -9.275
   10    H    SER   2           H        SER   2   1.717  -2.850  -5.769
   11    HA   SER   2           HA       SER   2  -0.046  -5.112  -5.761
   12    HB2  SER   2           HB2      SER   2   1.777  -5.928  -4.087
   13    HB3  SER   2           HB3      SER   2   2.196  -5.725  -5.787
   14    HG   SER   2           HG       SER   2   3.671  -4.786  -4.154
   15    H    ILE   3           H        ILE   3  -1.919  -4.758  -4.655
   16    HA   ILE   3           HA       ILE   3  -1.889  -3.612  -1.995
   17    HB   ILE   3           HB       ILE   3  -4.195  -5.021  -3.326
   18   HG12  ILE   3          HG12      ILE   3  -3.540  -2.068  -3.365
   19   HG13  ILE   3          HG13      ILE   3  -3.367  -3.160  -4.737
   20   HG21  ILE   3          HG21      ILE   3  -4.067  -3.040  -1.060
   21   HG22  ILE   3          HG22      ILE   3  -4.494  -4.746  -0.953
   22   HG23  ILE   3          HG23      ILE   3  -5.555  -3.626  -1.803
   23   HD11  ILE   3          HD11      ILE   3  -5.777  -3.558  -4.714
   24   HD12  ILE   3          HD12      ILE   3  -5.393  -1.850  -4.917
   25   HD13  ILE   3          HD13      ILE   3  -5.941  -2.448  -3.353
   26    H    HCS   4           H        HCS   4  -0.761  -4.914  -0.675
   27    HA   HCS   4           HA       HCS   4  -1.219  -7.768  -0.639
   28    HB2  HCS   4           HB1      HCS   4   0.455  -6.041   1.194
   29    HB3  HCS   4           HB2      HCS   4   0.498  -7.792   1.108
   30    HG2  HCS   4           HG1      HCS   4   1.296  -7.654  -1.198
   31    HG3  HCS   4           HG2      HCS   4   1.269  -5.902  -1.099
   32    H    HIS   5           H        HIS   5  -1.658  -5.031   1.528
   33    HA   HIS   5           HA       HIS   5  -4.177  -5.621   2.447
   34    HB2  HIS   5           HB2      HIS   5  -3.805  -6.497   4.716
   35    HB3  HIS   5           HB3      HIS   5  -3.274  -7.631   3.490
   36    HD1  HIS   5           HD1      HIS   5  -2.160  -5.940   6.501
   37    HD2  HIS   5           HD2      HIS   5  -0.397  -7.739   3.209
   38    HE1  HIS   5           HE1      HIS   5   0.197  -6.449   7.204
   39    HE2  HIS   5           HE2      HIS   5   1.150  -7.781   5.285
   40    H    VAL   6           H        VAL   6  -3.115  -3.445   1.649
   41    HA   VAL   6           HA       VAL   6  -1.802  -1.991   3.811
   42    HB   VAL   6           HB       VAL   6  -2.166  -0.563   1.289
   43   HG11  VAL   6          HG11      VAL   6  -0.653   0.227   2.986
   44   HG12  VAL   6          HG12      VAL   6   0.271  -0.231   1.557
   45   HG13  VAL   6          HG13      VAL   6   0.235  -1.300   2.961
   46   HG21  VAL   6          HG21      VAL   6  -0.624  -3.153   1.284
   47   HG22  VAL   6          HG22      VAL   6  -0.520  -1.910   0.033
   48   HG23  VAL   6          HG23      VAL   6  -2.041  -2.763   0.308
   49    H    HIS   7           H        HIS   7  -2.345   0.432   3.822
   50    HA   HIS   7           HA       HIS   7  -4.999   0.797   4.653
   51    HB2  HIS   7           HB2      HIS   7  -3.183   2.121   5.553
   52    HB3  HIS   7           HB3      HIS   7  -2.846   2.795   3.970
   53    HD1  HIS   7           HD1      HIS   7  -5.355   3.003   6.773
   54    HD2  HIS   7           HD2      HIS   7  -4.321   4.979   3.264
   55    HE1  HIS   7           HE1      HIS   7  -6.715   5.117   6.765
   56    HE2  HIS   7           HE2      HIS   7  -6.238   6.182   4.536
   57    H    ARG   8           H        ARG   8  -3.413   2.421   1.852
   58    HA   ARG   8           HA       ARG   8  -5.985   3.175   0.806
   59    HB2  ARG   8           HB2      ARG   8  -3.289   3.396  -0.532
   60    HB3  ARG   8           HB3      ARG   8  -4.754   4.251  -0.978
   61    HG2  ARG   8           HG2      ARG   8  -4.669   5.351   1.281
   62    HG3  ARG   8           HG3      ARG   8  -3.056   4.643   1.456
   63    HD2  ARG   8           HD2      ARG   8  -2.261   5.817  -0.453
   64    HD3  ARG   8           HD3      ARG   8  -3.885   6.367  -0.850
   65    HE   ARG   8           HE       ARG   8  -3.725   7.557   1.408
   66   HH11  ARG   8          HH11      ARG   8  -1.023   7.081  -0.778
   67   HH12  ARG   8          HH12      ARG   8  -0.150   8.458  -0.193
   68   HH21  ARG   8          HH21      ARG   8  -2.585   9.391   2.139
   69   HH22  ARG   8          HH22      ARG   8  -1.045   9.780   1.445
   70    HA   PRO   9           HA       PRO   9  -6.201  -0.208  -2.110
   71    HB2  PRO   9           HB2      PRO   9  -8.231   0.681  -3.614
   72    HB3  PRO   9           HB3      PRO   9  -8.479   0.192  -1.934
   73    HG2  PRO   9           HG2      PRO   9  -8.385   2.910  -3.119
   74    HG3  PRO   9           HG3      PRO   9  -9.282   2.328  -1.709
   75    HD2  PRO   9           HD2      PRO   9  -6.811   3.731  -1.724
   76    HD3  PRO   9           HD3      PRO   9  -7.615   3.003  -0.324
   77    H    ASP  10           H        ASP  10  -5.040   2.825  -2.733
   78    HA   ASP  10           HA       ASP  10  -4.737   2.431  -5.621
   79    HB2  ASP  10           HB2      ASP  10  -5.713   4.561  -4.935
   80    HB3  ASP  10           HB3      ASP  10  -4.333   4.882  -3.892
   81    H    TRP  11           H        TRP  11  -2.991   2.350  -2.663
   82    HA   TRP  11           HA       TRP  11  -0.458   2.630  -4.110
   83    HB2  TRP  11           HB2      TRP  11   0.542   3.485  -2.145
   84    HB3  TRP  11           HB3      TRP  11  -1.013   4.264  -2.261
   85    HD1  TRP  11           HD1      TRP  11  -1.935   1.090  -0.828
   86    HE1  TRP  11           HE1      TRP  11  -1.992   1.209   1.723
   87    HE3  TRP  11           HE3      TRP  11   0.678   5.425  -0.157
   88    HZ2  TRP  11           HZ2      TRP  11  -1.054   2.920   3.771
   89    HZ3  TRP  11           HZ3      TRP  11   1.067   6.228   2.131
   90    HH2  TRP  11           HH2      TRP  11   0.219   4.994   4.051
   91    HA   PRO  12           HA       PRO  12   0.634  -1.548  -3.162
   92    HB2  PRO  12           HB2      PRO  12   3.293  -1.448  -2.994
   93    HB3  PRO  12           HB3      PRO  12   2.469  -1.066  -4.508
   94    HG2  PRO  12           HG2      PRO  12   3.563   0.798  -2.428
   95    HG3  PRO  12           HG3      PRO  12   3.730   0.878  -4.184
   96    HD2  PRO  12           HD2      PRO  12   1.899   2.327  -2.785
   97    HD3  PRO  12           HD3      PRO  12   1.654   1.819  -4.465
   98    H    CYS  13           H        CYS  13   2.583  -2.682  -1.681
   99    HA   CYS  13           HA       CYS  13   1.817  -1.977   1.047
  100    HB2  CYS  13           HB2      CYS  13   2.544  -4.178   1.684
  101    HB3  CYS  13           HB3      CYS  13   1.486  -4.304   0.285
  102    H    TRP  14           H        TRP  14   4.006  -0.742  -0.749
  103    HA   TRP  14           HA       TRP  14   6.097  -0.810   1.290
  104    HB2  TRP  14           HB2      TRP  14   7.801  -0.848  -0.639
  105    HB3  TRP  14           HB3      TRP  14   6.993  -2.359  -0.230
  106    HD1  TRP  14           HD1      TRP  14   5.218  -3.308  -1.982
  107    HE1  TRP  14           HE1      TRP  14   4.899  -2.896  -4.495
  108    HE3  TRP  14           HE3      TRP  14   7.928   0.987  -2.430
  109    HZ2  TRP  14           HZ2      TRP  14   5.666  -0.973  -6.412
  110    HZ3  TRP  14           HZ3      TRP  14   8.055   2.075  -4.623
  111    HH2  TRP  14           HH2      TRP  14   6.955   1.108  -6.576
  112    H    TYR  15           H        TYR  15   5.094   0.681  -1.752
  113    HA   TYR  15           HA       TYR  15   5.395   2.749  -2.625
  114    HB2  TYR  15           HB2      TYR  15   4.287   4.521  -1.087
  115    HB3  TYR  15           HB3      TYR  15   3.328   3.206  -1.737
  116    HD1  TYR  15           HD1      TYR  15   4.589   4.748   1.312
  117    HD2  TYR  15           HD2      TYR  15   2.706   1.307  -0.325
  118    HE1  TYR  15           HE1      TYR  15   3.877   4.070   3.565
  119    HE2  TYR  15           HE2      TYR  15   1.997   0.623   1.904
  120    HH   TYR  15           HH       TYR  15   2.671   0.987   4.255
  121    H    ARG  16           H        ARG  16   7.563   3.020  -2.827
  122    HA   ARG  16           HA       ARG  16   8.881   4.638  -0.750
  123    HB2  ARG  16           HB2      ARG  16  10.062   2.400  -2.406
  124    HB3  ARG  16           HB3      ARG  16  10.976   3.432  -1.314
  125    HG2  ARG  16           HG2      ARG  16  10.023   2.487   0.587
  126    HG3  ARG  16           HG3      ARG  16   8.639   1.851  -0.306
  127    HD2  ARG  16           HD2      ARG  16  10.088   0.233  -1.414
  128    HD3  ARG  16           HD3      ARG  16  11.490   0.881  -0.555
  129    HE   ARG  16           HE       ARG  16   9.851   0.194   1.461
  130   HH11  ARG  16          HH11      ARG  16  10.891  -1.559  -1.386
  131   HH12  ARG  16          HH12      ARG  16  10.808  -3.112  -0.618
  132   HH21  ARG  16          HH21      ARG  16   9.702  -1.840   2.467
  133   HH22  ARG  16          HH22      ARG  16  10.127  -3.275   1.586